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/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA
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 75 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: 380
n_atoms_counter: 380
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 75.000000 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/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA
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 75 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: 380
n_atoms_counter: 380
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 75.000000 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/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA
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 75 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: 380
n_atoms_counter: 380
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 75.000000 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/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA
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 75 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: 380
n_atoms_counter: 380
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 75.000000 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/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA
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 75 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: 380
n_atoms_counter: 380
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 75.000000 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/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA
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 75 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: 380
n_atoms_counter: 380
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 75.000000 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/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA
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 75 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: 380
n_atoms_counter: 380
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 75.000000 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/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA
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 75 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: 380
n_atoms_counter: 380
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 75.000000 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/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA
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 75 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: 380
n_atoms_counter: 380
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 75.000000 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/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod_with_CCA-bd02532e/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUACCA
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 75 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: 380
n_atoms_counter: 380
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 75.000000 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: -309.115530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.115530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.115530 (E_RNA)
where:
Base-Base interactions energy: -16.919
where: short stacking energy: -16.919
Base-Backbone interact. energy: -0.000
local terms energy: -292.196044
where:
bonds (distance) C4'-P energy: -72.868
bonds (distance) P-C4' energy: -67.994
flat angles C4'-P-C4' energy: -55.067
flat angles P-C4'-P energy: -62.991
tors. eta vs tors. theta energy: -33.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -309.115530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.115530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.115530 (E_RNA)
where:
Base-Base interactions energy: -16.919
where: short stacking energy: -16.919
Base-Backbone interact. energy: -0.000
local terms energy: -292.196044
where:
bonds (distance) C4'-P energy: -72.868
bonds (distance) P-C4' energy: -67.994
flat angles C4'-P-C4' energy: -55.067
flat angles P-C4'-P energy: -62.991
tors. eta vs tors. theta energy: -33.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -309.115530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.115530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.115530 (E_RNA)
where:
Base-Base interactions energy: -16.919
where: short stacking energy: -16.919
Base-Backbone interact. energy: -0.000
local terms energy: -292.196044
where:
bonds (distance) C4'-P energy: -72.868
bonds (distance) P-C4' energy: -67.994
flat angles C4'-P-C4' energy: -55.067
flat angles P-C4'-P energy: -62.991
tors. eta vs tors. theta energy: -33.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -309.115530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.115530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.115530 (E_RNA)
where:
Base-Base interactions energy: -16.919
where: short stacking energy: -16.919
Base-Backbone interact. energy: -0.000
local terms energy: -292.196044
where:
bonds (distance) C4'-P energy: -72.868
bonds (distance) P-C4' energy: -67.994
flat angles C4'-P-C4' energy: -55.067
flat angles P-C4'-P energy: -62.991
tors. eta vs tors. theta energy: -33.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -309.115530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.115530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.115530 (E_RNA)
where:
Base-Base interactions energy: -16.919
where: short stacking energy: -16.919
Base-Backbone interact. energy: -0.000
local terms energy: -292.196044
where:
bonds (distance) C4'-P energy: -72.868
bonds (distance) P-C4' energy: -67.994
flat angles C4'-P-C4' energy: -55.067
flat angles P-C4'-P energy: -62.991
tors. eta vs tors. theta energy: -33.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -309.115530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.115530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.115530 (E_RNA)
where:
Base-Base interactions energy: -16.919
where: short stacking energy: -16.919
Base-Backbone interact. energy: -0.000
local terms energy: -292.196044
where:
bonds (distance) C4'-P energy: -72.868
bonds (distance) P-C4' energy: -67.994
flat angles C4'-P-C4' energy: -55.067
flat angles P-C4'-P energy: -62.991
tors. eta vs tors. theta energy: -33.277
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: 1
Temperature: 1.200000
Total energy: -309.115530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.115530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.115530 (E_RNA)
where:
Base-Base interactions energy: -16.919
where: short stacking energy: -16.919
Base-Backbone interact. energy: -0.000
local terms energy: -292.196044
where:
bonds (distance) C4'-P energy: -72.868
bonds (distance) P-C4' energy: -67.994
flat angles C4'-P-C4' energy: -55.067
flat angles P-C4'-P energy: -62.991
tors. eta vs tors. theta energy: -33.277
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -309.115530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.115530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.115530 (E_RNA)
where:
Base-Base interactions energy: -16.919
where: short stacking energy: -16.919
Base-Backbone interact. energy: -0.000
local terms energy: -292.196044
where:
bonds (distance) C4'-P energy: -72.868
bonds (distance) P-C4' energy: -67.994
flat angles C4'-P-C4' energy: -55.067
flat angles P-C4'-P energy: -62.991
tors. eta vs tors. theta energy: -33.277
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -309.115530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.115530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.115530 (E_RNA)
where:
Base-Base interactions energy: -16.919
where: short stacking energy: -16.919
Base-Backbone interact. energy: -0.000
local terms energy: -292.196044
where:
bonds (distance) C4'-P energy: -72.868
bonds (distance) P-C4' energy: -67.994
flat angles C4'-P-C4' energy: -55.067
flat angles P-C4'-P energy: -62.991
tors. eta vs tors. theta energy: -33.277
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -309.115530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.115530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.115530 (E_RNA)
where:
Base-Base interactions energy: -16.919
where: short stacking energy: -16.919
Base-Backbone interact. energy: -0.000
local terms energy: -292.196044
where:
bonds (distance) C4'-P energy: -72.868
bonds (distance) P-C4' energy: -67.994
flat angles C4'-P-C4' energy: -55.067
flat angles P-C4'-P energy: -62.991
tors. eta vs tors. theta energy: -33.277
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -439.679637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.679637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.679637 (E_RNA)
where:
Base-Base interactions energy: -218.899
where: short stacking energy: -192.669
Base-Backbone interact. energy: -0.117
local terms energy: -220.663388
where:
bonds (distance) C4'-P energy: -47.260
bonds (distance) P-C4' energy: -52.046
flat angles C4'-P-C4' energy: -45.364
flat angles P-C4'-P energy: -34.393
tors. eta vs tors. theta energy: -41.601
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -400.185350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.185350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.185350 (E_RNA)
where:
Base-Base interactions energy: -179.397
where: short stacking energy: -179.113
Base-Backbone interact. energy: -0.044
local terms energy: -220.744251
where:
bonds (distance) C4'-P energy: -47.316
bonds (distance) P-C4' energy: -46.603
flat angles C4'-P-C4' energy: -50.560
flat angles P-C4'-P energy: -31.103
tors. eta vs tors. theta energy: -45.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -379.633500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.633500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.633500 (E_RNA)
where:
Base-Base interactions energy: -172.326
where: short stacking energy: -162.636
Base-Backbone interact. energy: -0.353
local terms energy: -206.953878
where:
bonds (distance) C4'-P energy: -47.841
bonds (distance) P-C4' energy: -52.905
flat angles C4'-P-C4' energy: -47.386
flat angles P-C4'-P energy: -30.797
tors. eta vs tors. theta energy: -28.025
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -334.878954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.878954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.878954 (E_RNA)
where:
Base-Base interactions energy: -149.091
where: short stacking energy: -147.472
Base-Backbone interact. energy: -0.089
local terms energy: -185.698169
where:
bonds (distance) C4'-P energy: -40.633
bonds (distance) P-C4' energy: -48.882
flat angles C4'-P-C4' energy: -33.483
flat angles P-C4'-P energy: -33.078
tors. eta vs tors. theta energy: -29.624
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -328.116136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.116136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.116136 (E_RNA)
where:
Base-Base interactions energy: -156.138
where: short stacking energy: -95.078
Base-Backbone interact. energy: -0.643
local terms energy: -171.335330
where:
bonds (distance) C4'-P energy: -43.460
bonds (distance) P-C4' energy: -43.959
flat angles C4'-P-C4' energy: -39.708
flat angles P-C4'-P energy: -30.162
tors. eta vs tors. theta energy: -14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -313.439697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.439697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.439697 (E_RNA)
where:
Base-Base interactions energy: -153.098
where: short stacking energy: -125.568
Base-Backbone interact. energy: 0.257
local terms energy: -160.598083
where:
bonds (distance) C4'-P energy: -43.913
bonds (distance) P-C4' energy: -45.589
flat angles C4'-P-C4' energy: -28.179
flat angles P-C4'-P energy: -24.057
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -309.912356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.912356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.912356 (E_RNA)
where:
Base-Base interactions energy: -20.142
where: short stacking energy: -20.142
Base-Backbone interact. energy: -0.000
local terms energy: -289.770330
where:
bonds (distance) C4'-P energy: -71.279
bonds (distance) P-C4' energy: -67.973
flat angles C4'-P-C4' energy: -54.255
flat angles P-C4'-P energy: -62.787
tors. eta vs tors. theta energy: -33.477
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -309.492862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.492862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.492862 (E_RNA)
where:
Base-Base interactions energy: -20.166
where: short stacking energy: -20.166
Base-Backbone interact. energy: -0.000
local terms energy: -289.326411
where:
bonds (distance) C4'-P energy: -70.753
bonds (distance) P-C4' energy: -67.970
flat angles C4'-P-C4' energy: -54.343
flat angles P-C4'-P energy: -62.768
tors. eta vs tors. theta energy: -33.492
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: 2
Temperature: 1.300000
Total energy: -309.472052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.472052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.472052 (E_RNA)
where:
Base-Base interactions energy: -20.166
where: short stacking energy: -20.166
Base-Backbone interact. energy: -0.000
local terms energy: -289.305829
where:
bonds (distance) C4'-P energy: -70.753
bonds (distance) P-C4' energy: -67.970
flat angles C4'-P-C4' energy: -54.343
flat angles P-C4'-P energy: -62.768
tors. eta vs tors. theta energy: -33.472
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -308.453963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.453963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.453963 (E_RNA)
where:
Base-Base interactions energy: -20.558
where: short stacking energy: -20.558
Base-Backbone interact. energy: -0.000
local terms energy: -287.895488
where:
bonds (distance) C4'-P energy: -71.771
bonds (distance) P-C4' energy: -65.979
flat angles C4'-P-C4' energy: -54.681
flat angles P-C4'-P energy: -62.503
tors. eta vs tors. theta energy: -32.960
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -479.942527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.942527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.942527 (E_RNA)
where:
Base-Base interactions energy: -248.589
where: short stacking energy: -179.586
Base-Backbone interact. energy: 0.379
local terms energy: -231.731657
where:
bonds (distance) C4'-P energy: -56.963
bonds (distance) P-C4' energy: -51.686
flat angles C4'-P-C4' energy: -53.516
flat angles P-C4'-P energy: -27.085
tors. eta vs tors. theta energy: -42.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -438.679710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.679710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.679710 (E_RNA)
where:
Base-Base interactions energy: -241.975
where: short stacking energy: -158.110
Base-Backbone interact. energy: -0.664
local terms energy: -196.041227
where:
bonds (distance) C4'-P energy: -52.525
bonds (distance) P-C4' energy: -43.753
flat angles C4'-P-C4' energy: -46.636
flat angles P-C4'-P energy: -22.248
tors. eta vs tors. theta energy: -30.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -408.894041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.894041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.894041 (E_RNA)
where:
Base-Base interactions energy: -185.491
where: short stacking energy: -160.304
Base-Backbone interact. energy: -0.350
local terms energy: -223.052941
where:
bonds (distance) C4'-P energy: -46.946
bonds (distance) P-C4' energy: -54.777
flat angles C4'-P-C4' energy: -51.725
flat angles P-C4'-P energy: -36.613
tors. eta vs tors. theta energy: -32.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -468.988407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.988407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.988407 (E_RNA)
where:
Base-Base interactions energy: -271.573
where: short stacking energy: -150.640
Base-Backbone interact. energy: -1.613
local terms energy: -195.802353
where:
bonds (distance) C4'-P energy: -44.012
bonds (distance) P-C4' energy: -41.375
flat angles C4'-P-C4' energy: -49.525
flat angles P-C4'-P energy: -31.090
tors. eta vs tors. theta energy: -29.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -395.517241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.517241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.517241 (E_RNA)
where:
Base-Base interactions energy: -220.364
where: short stacking energy: -145.173
Base-Backbone interact. energy: -2.086
local terms energy: -173.066693
where:
bonds (distance) C4'-P energy: -48.414
bonds (distance) P-C4' energy: -39.214
flat angles C4'-P-C4' energy: -38.615
flat angles P-C4'-P energy: -22.700
tors. eta vs tors. theta energy: -24.123
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: 3
Temperature: 1.150000
Total energy: -314.132861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.132861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.132861 (E_RNA)
where:
Base-Base interactions energy: -140.703
where: short stacking energy: -121.565
Base-Backbone interact. energy: -1.561
local terms energy: -171.869189
where:
bonds (distance) C4'-P energy: -33.421
bonds (distance) P-C4' energy: -49.925
flat angles C4'-P-C4' energy: -49.638
flat angles P-C4'-P energy: -21.195
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -303.952253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.952253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.952253 (E_RNA)
where:
Base-Base interactions energy: -144.872
where: short stacking energy: -105.245
Base-Backbone interact. energy: -0.449
local terms energy: -158.631649
where:
bonds (distance) C4'-P energy: -41.315
bonds (distance) P-C4' energy: -39.111
flat angles C4'-P-C4' energy: -43.101
flat angles P-C4'-P energy: -22.007
tors. eta vs tors. theta energy: -13.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -322.022927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.022927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.022927 (E_RNA)
where:
Base-Base interactions energy: -181.435
where: short stacking energy: -82.297
Base-Backbone interact. energy: 6.246
local terms energy: -146.834204
where:
bonds (distance) C4'-P energy: -49.710
bonds (distance) P-C4' energy: -45.293
flat angles C4'-P-C4' energy: -47.014
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: 6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -234.528232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.528232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.528232 (E_RNA)
where:
Base-Base interactions energy: -92.538
where: short stacking energy: -66.198
Base-Backbone interact. energy: -0.499
local terms energy: -141.490529
where:
bonds (distance) C4'-P energy: -39.470
bonds (distance) P-C4' energy: -42.252
flat angles C4'-P-C4' energy: -40.541
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -242.970906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.970906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.970906 (E_RNA)
where:
Base-Base interactions energy: -115.655
where: short stacking energy: -69.768
Base-Backbone interact. energy: -1.261
local terms energy: -126.054754
where:
bonds (distance) C4'-P energy: -38.601
bonds (distance) P-C4' energy: -42.611
flat angles C4'-P-C4' energy: -39.031
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: 8.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -468.995444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.995444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.995444 (E_RNA)
where:
Base-Base interactions energy: -229.895
where: short stacking energy: -195.915
Base-Backbone interact. energy: -0.943
local terms energy: -238.157883
where:
bonds (distance) C4'-P energy: -44.945
bonds (distance) P-C4' energy: -51.338
flat angles C4'-P-C4' energy: -54.042
flat angles P-C4'-P energy: -37.064
tors. eta vs tors. theta energy: -50.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -425.163572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.163572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.163572 (E_RNA)
where:
Base-Base interactions energy: -213.470
where: short stacking energy: -170.101
Base-Backbone interact. energy: -0.265
local terms energy: -211.428690
where:
bonds (distance) C4'-P energy: -39.325
bonds (distance) P-C4' energy: -51.126
flat angles C4'-P-C4' energy: -51.805
flat angles P-C4'-P energy: -33.613
tors. eta vs tors. theta energy: -35.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -471.339395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.339395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.339395 (E_RNA)
where:
Base-Base interactions energy: -270.817
where: short stacking energy: -157.315
Base-Backbone interact. energy: -0.591
local terms energy: -199.931747
where:
bonds (distance) C4'-P energy: -46.564
bonds (distance) P-C4' energy: -43.947
flat angles C4'-P-C4' energy: -49.728
flat angles P-C4'-P energy: -28.196
tors. eta vs tors. theta energy: -31.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -409.330149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.330149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.330149 (E_RNA)
where:
Base-Base interactions energy: -202.211
where: short stacking energy: -144.036
Base-Backbone interact. energy: -0.372
local terms energy: -206.747703
where:
bonds (distance) C4'-P energy: -39.521
bonds (distance) P-C4' energy: -55.041
flat angles C4'-P-C4' energy: -47.465
flat angles P-C4'-P energy: -33.180
tors. eta vs tors. theta energy: -31.539
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: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -424.397259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.397259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.397259 (E_RNA)
where:
Base-Base interactions energy: -227.730
where: short stacking energy: -148.772
Base-Backbone interact. energy: -1.281
local terms energy: -195.385484
where:
bonds (distance) C4'-P energy: -40.754
bonds (distance) P-C4' energy: -43.629
flat angles C4'-P-C4' energy: -50.465
flat angles P-C4'-P energy: -30.834
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: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -311.888547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.888547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.888547 (E_RNA)
where:
Base-Base interactions energy: -146.413
where: short stacking energy: -128.948
Base-Backbone interact. energy: 0.317
local terms energy: -165.792736
where:
bonds (distance) C4'-P energy: -38.301
bonds (distance) P-C4' energy: -47.817
flat angles C4'-P-C4' energy: -35.641
flat angles P-C4'-P energy: -19.516
tors. eta vs tors. theta energy: -24.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -358.724717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.724717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.724717 (E_RNA)
where:
Base-Base interactions energy: -224.107
where: short stacking energy: -129.359
Base-Backbone interact. energy: 0.457
local terms energy: -135.074660
where:
bonds (distance) C4'-P energy: -37.046
bonds (distance) P-C4' energy: -31.630
flat angles C4'-P-C4' energy: -31.498
flat angles P-C4'-P energy: -21.441
tors. eta vs tors. theta energy: -13.460
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: 4
Temperature: 1.250000
Total energy: -335.295383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.295383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.295383 (E_RNA)
where:
Base-Base interactions energy: -176.300
where: short stacking energy: -110.308
Base-Backbone interact. energy: 0.051
local terms energy: -159.046480
where:
bonds (distance) C4'-P energy: -43.715
bonds (distance) P-C4' energy: -45.949
flat angles C4'-P-C4' energy: -39.536
flat angles P-C4'-P energy: -23.975
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -242.787503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.787503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.787503 (E_RNA)
where:
Base-Base interactions energy: -97.373
where: short stacking energy: -70.991
Base-Backbone interact. energy: 0.551
local terms energy: -145.965740
where:
bonds (distance) C4'-P energy: -39.063
bonds (distance) P-C4' energy: -44.423
flat angles C4'-P-C4' energy: -39.787
flat angles P-C4'-P energy: -33.339
tors. eta vs tors. theta energy: 10.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -214.682659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.682659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.682659 (E_RNA)
where:
Base-Base interactions energy: -75.410
where: short stacking energy: -60.530
Base-Backbone interact. energy: -0.143
local terms energy: -139.129732
where:
bonds (distance) C4'-P energy: -43.120
bonds (distance) P-C4' energy: -41.223
flat angles C4'-P-C4' energy: -41.144
flat angles P-C4'-P energy: -18.029
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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -533.672881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.672881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.672881 (E_RNA)
where:
Base-Base interactions energy: -282.491
where: short stacking energy: -204.753
Base-Backbone interact. energy: -0.072
local terms energy: -251.110642
where:
bonds (distance) C4'-P energy: -55.823
bonds (distance) P-C4' energy: -54.413
flat angles C4'-P-C4' energy: -47.641
flat angles P-C4'-P energy: -36.649
tors. eta vs tors. theta energy: -56.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -522.289955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.289955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.289955 (E_RNA)
where:
Base-Base interactions energy: -305.063
where: short stacking energy: -160.595
Base-Backbone interact. energy: 0.253
local terms energy: -217.479910
where:
bonds (distance) C4'-P energy: -40.878
bonds (distance) P-C4' energy: -52.917
flat angles C4'-P-C4' energy: -57.154
flat angles P-C4'-P energy: -28.133
tors. eta vs tors. theta energy: -38.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -429.043400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.043400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.043400 (E_RNA)
where:
Base-Base interactions energy: -221.335
where: short stacking energy: -162.886
Base-Backbone interact. energy: -0.173
local terms energy: -207.534728
where:
bonds (distance) C4'-P energy: -43.071
bonds (distance) P-C4' energy: -50.004
flat angles C4'-P-C4' energy: -51.697
flat angles P-C4'-P energy: -34.193
tors. eta vs tors. theta energy: -28.569
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: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -477.548616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.548616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.548616 (E_RNA)
where:
Base-Base interactions energy: -261.326
where: short stacking energy: -153.289
Base-Backbone interact. energy: -0.431
local terms energy: -215.791813
where:
bonds (distance) C4'-P energy: -46.697
bonds (distance) P-C4' energy: -48.619
flat angles C4'-P-C4' energy: -46.674
flat angles P-C4'-P energy: -34.454
tors. eta vs tors. theta energy: -39.347
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: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -377.627960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.627960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.627960 (E_RNA)
where:
Base-Base interactions energy: -184.425
where: short stacking energy: -119.180
Base-Backbone interact. energy: -0.608
local terms energy: -192.595226
where:
bonds (distance) C4'-P energy: -44.809
bonds (distance) P-C4' energy: -51.493
flat angles C4'-P-C4' energy: -44.337
flat angles P-C4'-P energy: -30.492
tors. eta vs tors. theta energy: -21.464
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: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -390.181414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.181414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.181414 (E_RNA)
where:
Base-Base interactions energy: -218.973
where: short stacking energy: -111.162
Base-Backbone interact. energy: 2.022
local terms energy: -173.230297
where:
bonds (distance) C4'-P energy: -38.289
bonds (distance) P-C4' energy: -54.275
flat angles C4'-P-C4' energy: -37.365
flat angles P-C4'-P energy: -30.151
tors. eta vs tors. theta energy: -13.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -320.569123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.569123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.569123 (E_RNA)
where:
Base-Base interactions energy: -166.525
where: short stacking energy: -88.719
Base-Backbone interact. energy: -1.532
local terms energy: -152.512001
where:
bonds (distance) C4'-P energy: -45.844
bonds (distance) P-C4' energy: -43.102
flat angles C4'-P-C4' energy: -26.049
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -16.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -391.126360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.126360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.126360 (E_RNA)
where:
Base-Base interactions energy: -201.982
where: short stacking energy: -122.207
Base-Backbone interact. energy: -0.442
local terms energy: -188.701904
where:
bonds (distance) C4'-P energy: -47.921
bonds (distance) P-C4' energy: -50.527
flat angles C4'-P-C4' energy: -35.763
flat angles P-C4'-P energy: -21.370
tors. eta vs tors. theta energy: -33.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -251.651818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.651818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.651818 (E_RNA)
where:
Base-Base interactions energy: -113.332
where: short stacking energy: -94.779
Base-Backbone interact. energy: -0.200
local terms energy: -138.119223
where:
bonds (distance) C4'-P energy: -41.602
bonds (distance) P-C4' energy: -31.572
flat angles C4'-P-C4' energy: -43.374
flat angles P-C4'-P energy: -22.424
tors. eta vs tors. theta energy: 0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -210.887632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.887632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.887632 (E_RNA)
where:
Base-Base interactions energy: -87.611
where: short stacking energy: -70.885
Base-Backbone interact. energy: -1.429
local terms energy: -121.847279
where:
bonds (distance) C4'-P energy: -44.459
bonds (distance) P-C4' energy: -42.892
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -22.804
tors. eta vs tors. theta energy: 5.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -528.237781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.237781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.237781 (E_RNA)
where:
Base-Base interactions energy: -303.266
where: short stacking energy: -201.356
Base-Backbone interact. energy: -0.259
local terms energy: -224.712380
where:
bonds (distance) C4'-P energy: -48.177
bonds (distance) P-C4' energy: -47.858
flat angles C4'-P-C4' energy: -52.249
flat angles P-C4'-P energy: -29.164
tors. eta vs tors. theta energy: -47.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -531.570464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.570464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.570464 (E_RNA)
where:
Base-Base interactions energy: -310.942
where: short stacking energy: -144.586
Base-Backbone interact. energy: -1.325
local terms energy: -219.303552
where:
bonds (distance) C4'-P energy: -39.391
bonds (distance) P-C4' energy: -55.194
flat angles C4'-P-C4' energy: -55.996
flat angles P-C4'-P energy: -37.444
tors. eta vs tors. theta energy: -31.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -547.941134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.941134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.941134 (E_RNA)
where:
Base-Base interactions energy: -340.803
where: short stacking energy: -162.702
Base-Backbone interact. energy: -1.773
local terms energy: -205.365037
where:
bonds (distance) C4'-P energy: -49.495
bonds (distance) P-C4' energy: -57.013
flat angles C4'-P-C4' energy: -35.735
flat angles P-C4'-P energy: -32.877
tors. eta vs tors. theta energy: -30.245
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: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -439.731963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.731963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.731963 (E_RNA)
where:
Base-Base interactions energy: -245.044
where: short stacking energy: -156.526
Base-Backbone interact. energy: -1.089
local terms energy: -193.599035
where:
bonds (distance) C4'-P energy: -33.913
bonds (distance) P-C4' energy: -54.647
flat angles C4'-P-C4' energy: -46.670
flat angles P-C4'-P energy: -30.324
tors. eta vs tors. theta energy: -28.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -422.160386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.160386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.160386 (E_RNA)
where:
Base-Base interactions energy: -253.482
where: short stacking energy: -138.403
Base-Backbone interact. energy: -1.191
local terms energy: -167.487265
where:
bonds (distance) C4'-P energy: -53.054
bonds (distance) P-C4' energy: -41.801
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -29.131
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -341.314707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.314707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.314707 (E_RNA)
where:
Base-Base interactions energy: -175.157
where: short stacking energy: -107.503
Base-Backbone interact. energy: -1.807
local terms energy: -164.350695
where:
bonds (distance) C4'-P energy: -49.763
bonds (distance) P-C4' energy: -38.153
flat angles C4'-P-C4' energy: -34.160
flat angles P-C4'-P energy: -31.396
tors. eta vs tors. theta energy: -10.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -409.365701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.365701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.365701 (E_RNA)
where:
Base-Base interactions energy: -250.377
where: short stacking energy: -155.863
Base-Backbone interact. energy: 0.168
local terms energy: -159.156847
where:
bonds (distance) C4'-P energy: -42.298
bonds (distance) P-C4' energy: -29.571
flat angles C4'-P-C4' energy: -42.045
flat angles P-C4'-P energy: -20.651
tors. eta vs tors. theta energy: -24.592
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: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -256.772778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.772778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.772778 (E_RNA)
where:
Base-Base interactions energy: -106.636
where: short stacking energy: -78.229
Base-Backbone interact. energy: 0.768
local terms energy: -150.905636
where:
bonds (distance) C4'-P energy: -49.104
bonds (distance) P-C4' energy: -47.033
flat angles C4'-P-C4' energy: -32.693
flat angles P-C4'-P energy: -18.851
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -217.134523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.134523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.134523 (E_RNA)
where:
Base-Base interactions energy: -86.743
where: short stacking energy: -68.088
Base-Backbone interact. energy: -0.527
local terms energy: -129.864069
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -47.223
flat angles C4'-P-C4' energy: -29.781
flat angles P-C4'-P energy: -24.392
tors. eta vs tors. theta energy: 2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -274.241901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.241901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.241901 (E_RNA)
where:
Base-Base interactions energy: -157.235
where: short stacking energy: -69.189
Base-Backbone interact. energy: 0.342
local terms energy: -117.349418
where:
bonds (distance) C4'-P energy: -37.665
bonds (distance) P-C4' energy: -40.184
flat angles C4'-P-C4' energy: -28.668
flat angles P-C4'-P energy: -26.613
tors. eta vs tors. theta energy: 15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -559.663442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.663442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.663442 (E_RNA)
where:
Base-Base interactions energy: -330.194
where: short stacking energy: -207.445
Base-Backbone interact. energy: -0.711
local terms energy: -228.758817
where:
bonds (distance) C4'-P energy: -48.309
bonds (distance) P-C4' energy: -53.479
flat angles C4'-P-C4' energy: -43.320
flat angles P-C4'-P energy: -35.971
tors. eta vs tors. theta energy: -47.680
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: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -586.235318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.235318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.235318 (E_RNA)
where:
Base-Base interactions energy: -373.027
where: short stacking energy: -156.587
Base-Backbone interact. energy: -0.920
local terms energy: -212.287765
where:
bonds (distance) C4'-P energy: -38.538
bonds (distance) P-C4' energy: -47.442
flat angles C4'-P-C4' energy: -55.416
flat angles P-C4'-P energy: -37.431
tors. eta vs tors. theta energy: -33.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -533.726529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.726529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.726529 (E_RNA)
where:
Base-Base interactions energy: -325.268
where: short stacking energy: -163.183
Base-Backbone interact. energy: -0.382
local terms energy: -208.076835
where:
bonds (distance) C4'-P energy: -45.843
bonds (distance) P-C4' energy: -50.405
flat angles C4'-P-C4' energy: -47.196
flat angles P-C4'-P energy: -33.571
tors. eta vs tors. theta energy: -31.061
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: 8
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -484.862088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.862088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.862088 (E_RNA)
where:
Base-Base interactions energy: -288.256
where: short stacking energy: -148.429
Base-Backbone interact. energy: -1.724
local terms energy: -194.882620
where:
bonds (distance) C4'-P energy: -37.209
bonds (distance) P-C4' energy: -46.384
flat angles C4'-P-C4' energy: -45.742
flat angles P-C4'-P energy: -34.394
tors. eta vs tors. theta energy: -31.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -369.190000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.190000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.190000 (E_RNA)
where:
Base-Base interactions energy: -186.988
where: short stacking energy: -136.087
Base-Backbone interact. energy: -1.859
local terms energy: -180.342358
where:
bonds (distance) C4'-P energy: -47.992
bonds (distance) P-C4' energy: -42.186
flat angles C4'-P-C4' energy: -43.928
flat angles P-C4'-P energy: -30.564
tors. eta vs tors. theta energy: -15.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -443.853275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.853275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.853275 (E_RNA)
where:
Base-Base interactions energy: -266.936
where: short stacking energy: -119.990
Base-Backbone interact. energy: -0.883
local terms energy: -176.033912
where:
bonds (distance) C4'-P energy: -52.736
bonds (distance) P-C4' energy: -55.064
flat angles C4'-P-C4' energy: -42.011
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -312.210950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.210950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.210950 (E_RNA)
where:
Base-Base interactions energy: -141.000
where: short stacking energy: -102.077
Base-Backbone interact. energy: -0.153
local terms energy: -171.058353
where:
bonds (distance) C4'-P energy: -42.360
bonds (distance) P-C4' energy: -42.967
flat angles C4'-P-C4' energy: -37.500
flat angles P-C4'-P energy: -28.257
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -301.229141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.229141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.229141 (E_RNA)
where:
Base-Base interactions energy: -157.912
where: short stacking energy: -64.369
Base-Backbone interact. energy: -0.683
local terms energy: -142.634142
where:
bonds (distance) C4'-P energy: -42.157
bonds (distance) P-C4' energy: -50.009
flat angles C4'-P-C4' energy: -33.210
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: 0.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -241.432548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.432548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.432548 (E_RNA)
where:
Base-Base interactions energy: -102.871
where: short stacking energy: -91.335
Base-Backbone interact. energy: -0.285
local terms energy: -138.276971
where:
bonds (distance) C4'-P energy: -28.453
bonds (distance) P-C4' energy: -43.923
flat angles C4'-P-C4' energy: -41.217
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -6.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -275.224572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.224572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.224572 (E_RNA)
where:
Base-Base interactions energy: -117.033
where: short stacking energy: -76.464
Base-Backbone interact. energy: 0.740
local terms energy: -158.931986
where:
bonds (distance) C4'-P energy: -40.546
bonds (distance) P-C4' energy: -41.989
flat angles C4'-P-C4' energy: -42.577
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -11.102
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: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -624.108616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.108616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.108616 (E_RNA)
where:
Base-Base interactions energy: -399.737
where: short stacking energy: -181.637
Base-Backbone interact. energy: 0.688
local terms energy: -225.059907
where:
bonds (distance) C4'-P energy: -45.381
bonds (distance) P-C4' energy: -50.390
flat angles C4'-P-C4' energy: -55.134
flat angles P-C4'-P energy: -31.669
tors. eta vs tors. theta energy: -42.487
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: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -519.907558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.907558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.907558 (E_RNA)
where:
Base-Base interactions energy: -290.952
where: short stacking energy: -202.858
Base-Backbone interact. energy: -1.382
local terms energy: -227.573436
where:
bonds (distance) C4'-P energy: -45.023
bonds (distance) P-C4' energy: -43.768
flat angles C4'-P-C4' energy: -44.080
flat angles P-C4'-P energy: -37.540
tors. eta vs tors. theta energy: -57.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -508.873160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.873160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.873160 (E_RNA)
where:
Base-Base interactions energy: -295.735
where: short stacking energy: -175.191
Base-Backbone interact. energy: 0.379
local terms energy: -213.517083
where:
bonds (distance) C4'-P energy: -41.416
bonds (distance) P-C4' energy: -49.663
flat angles C4'-P-C4' energy: -48.644
flat angles P-C4'-P energy: -34.336
tors. eta vs tors. theta energy: -39.458
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: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -534.784023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.784023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.784023 (E_RNA)
where:
Base-Base interactions energy: -328.328
where: short stacking energy: -182.217
Base-Backbone interact. energy: -1.501
local terms energy: -204.955223
where:
bonds (distance) C4'-P energy: -44.883
bonds (distance) P-C4' energy: -46.999
flat angles C4'-P-C4' energy: -50.935
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: -42.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -497.344513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.344513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.344513 (E_RNA)
where:
Base-Base interactions energy: -297.278
where: short stacking energy: -150.191
Base-Backbone interact. energy: -1.192
local terms energy: -198.874453
where:
bonds (distance) C4'-P energy: -44.965
bonds (distance) P-C4' energy: -55.558
flat angles C4'-P-C4' energy: -45.836
flat angles P-C4'-P energy: -28.319
tors. eta vs tors. theta energy: -24.195
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: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -422.409810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.409810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.409810 (E_RNA)
where:
Base-Base interactions energy: -246.462
where: short stacking energy: -130.405
Base-Backbone interact. energy: 0.101
local terms energy: -176.049123
where:
bonds (distance) C4'-P energy: -38.090
bonds (distance) P-C4' energy: -47.490
flat angles C4'-P-C4' energy: -34.880
flat angles P-C4'-P energy: -25.455
tors. eta vs tors. theta energy: -30.134
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: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -350.247949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.247949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.247949 (E_RNA)
where:
Base-Base interactions energy: -177.938
where: short stacking energy: -109.940
Base-Backbone interact. energy: -0.992
local terms energy: -171.317703
where:
bonds (distance) C4'-P energy: -41.180
bonds (distance) P-C4' energy: -37.892
flat angles C4'-P-C4' energy: -44.970
flat angles P-C4'-P energy: -27.702
tors. eta vs tors. theta energy: -19.573
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: 2
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -275.693054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.693054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.693054 (E_RNA)
where:
Base-Base interactions energy: -133.200
where: short stacking energy: -83.799
Base-Backbone interact. energy: -0.169
local terms energy: -142.324350
where:
bonds (distance) C4'-P energy: -39.649
bonds (distance) P-C4' energy: -47.554
flat angles C4'-P-C4' energy: -23.479
flat angles P-C4'-P energy: -26.817
tors. eta vs tors. theta energy: -4.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -347.392945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.392945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.392945 (E_RNA)
where:
Base-Base interactions energy: -201.320
where: short stacking energy: -98.183
Base-Backbone interact. energy: 0.835
local terms energy: -146.908191
where:
bonds (distance) C4'-P energy: -44.218
bonds (distance) P-C4' energy: -35.863
flat angles C4'-P-C4' energy: -36.932
flat angles P-C4'-P energy: -27.784
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -231.797666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.797666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.797666 (E_RNA)
where:
Base-Base interactions energy: -84.519
where: short stacking energy: -75.968
Base-Backbone interact. energy: 0.053
local terms energy: -147.331918
where:
bonds (distance) C4'-P energy: -43.899
bonds (distance) P-C4' energy: -46.683
flat angles C4'-P-C4' energy: -28.752
flat angles P-C4'-P energy: -23.715
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: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -628.525657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.525657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.525657 (E_RNA)
where:
Base-Base interactions energy: -411.344
where: short stacking energy: -175.919
Base-Backbone interact. energy: -1.760
local terms energy: -215.421696
where:
bonds (distance) C4'-P energy: -41.463
bonds (distance) P-C4' energy: -46.629
flat angles C4'-P-C4' energy: -50.790
flat angles P-C4'-P energy: -34.087
tors. eta vs tors. theta energy: -42.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -618.809254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.809254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.809254 (E_RNA)
where:
Base-Base interactions energy: -395.598
where: short stacking energy: -184.029
Base-Backbone interact. energy: -2.416
local terms energy: -220.795223
where:
bonds (distance) C4'-P energy: -47.414
bonds (distance) P-C4' energy: -46.115
flat angles C4'-P-C4' energy: -46.110
flat angles P-C4'-P energy: -36.620
tors. eta vs tors. theta energy: -44.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -519.683659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.683659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.683659 (E_RNA)
where:
Base-Base interactions energy: -301.363
where: short stacking energy: -176.203
Base-Backbone interact. energy: 0.060
local terms energy: -218.380843
where:
bonds (distance) C4'-P energy: -42.559
bonds (distance) P-C4' energy: -45.392
flat angles C4'-P-C4' energy: -49.662
flat angles P-C4'-P energy: -39.377
tors. eta vs tors. theta energy: -41.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -568.735406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.735406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.735406 (E_RNA)
where:
Base-Base interactions energy: -358.690
where: short stacking energy: -146.523
Base-Backbone interact. energy: 1.102
local terms energy: -211.147719
where:
bonds (distance) C4'-P energy: -44.434
bonds (distance) P-C4' energy: -54.960
flat angles C4'-P-C4' energy: -47.428
flat angles P-C4'-P energy: -28.214
tors. eta vs tors. theta energy: -36.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -466.821833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.821833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.821833 (E_RNA)
where:
Base-Base interactions energy: -280.817
where: short stacking energy: -161.121
Base-Backbone interact. energy: -0.813
local terms energy: -185.191612
where:
bonds (distance) C4'-P energy: -37.934
bonds (distance) P-C4' energy: -44.090
flat angles C4'-P-C4' energy: -37.153
flat angles P-C4'-P energy: -22.501
tors. eta vs tors. theta energy: -43.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -416.420954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.420954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.420954 (E_RNA)
where:
Base-Base interactions energy: -236.307
where: short stacking energy: -134.912
Base-Backbone interact. energy: -0.606
local terms energy: -179.507482
where:
bonds (distance) C4'-P energy: -41.705
bonds (distance) P-C4' energy: -44.734
flat angles C4'-P-C4' energy: -41.007
flat angles P-C4'-P energy: -24.029
tors. eta vs tors. theta energy: -28.032
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: 7, replica: 9
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -403.447540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.447540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.447540 (E_RNA)
where:
Base-Base interactions energy: -244.770
where: short stacking energy: -132.918
Base-Backbone interact. energy: -1.098
local terms energy: -157.578822
where:
bonds (distance) C4'-P energy: -34.363
bonds (distance) P-C4' energy: -38.211
flat angles C4'-P-C4' energy: -34.769
flat angles P-C4'-P energy: -34.257
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -418.782657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.782657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.782657 (E_RNA)
where:
Base-Base interactions energy: -247.257
where: short stacking energy: -133.823
Base-Backbone interact. energy: 0.961
local terms energy: -172.487024
where:
bonds (distance) C4'-P energy: -40.159
bonds (distance) P-C4' energy: -41.922
flat angles C4'-P-C4' energy: -44.903
flat angles P-C4'-P energy: -20.704
tors. eta vs tors. theta energy: -24.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -299.396134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.396134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.396134 (E_RNA)
where:
Base-Base interactions energy: -137.623
where: short stacking energy: -92.595
Base-Backbone interact. energy: 0.636
local terms energy: -162.408689
where:
bonds (distance) C4'-P energy: -31.764
bonds (distance) P-C4' energy: -43.526
flat angles C4'-P-C4' energy: -49.311
flat angles P-C4'-P energy: -27.254
tors. eta vs tors. theta energy: -10.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -217.306965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.306965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.306965 (E_RNA)
where:
Base-Base interactions energy: -78.457
where: short stacking energy: -63.460
Base-Backbone interact. energy: 0.872
local terms energy: -139.722318
where:
bonds (distance) C4'-P energy: -41.607
bonds (distance) P-C4' energy: -46.390
flat angles C4'-P-C4' energy: -31.658
flat angles P-C4'-P energy: -28.895
tors. eta vs tors. theta energy: 8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -641.949037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.949037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.949037 (E_RNA)
where:
Base-Base interactions energy: -428.647
where: short stacking energy: -200.166
Base-Backbone interact. energy: 1.192
local terms energy: -214.493866
where:
bonds (distance) C4'-P energy: -44.204
bonds (distance) P-C4' energy: -46.994
flat angles C4'-P-C4' energy: -49.811
flat angles P-C4'-P energy: -32.141
tors. eta vs tors. theta energy: -41.344
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: 10
Temperature: 0.950000
Total energy: -644.897824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.897824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.897824 (E_RNA)
where:
Base-Base interactions energy: -424.864
where: short stacking energy: -209.659
Base-Backbone interact. energy: -2.094
local terms energy: -217.940741
where:
bonds (distance) C4'-P energy: -44.040
bonds (distance) P-C4' energy: -44.099
flat angles C4'-P-C4' energy: -43.958
flat angles P-C4'-P energy: -36.486
tors. eta vs tors. theta energy: -49.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -596.745613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.745613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.745613 (E_RNA)
where:
Base-Base interactions energy: -381.818
where: short stacking energy: -192.529
Base-Backbone interact. energy: 0.201
local terms energy: -215.128629
where:
bonds (distance) C4'-P energy: -45.811
bonds (distance) P-C4' energy: -44.578
flat angles C4'-P-C4' energy: -43.895
flat angles P-C4'-P energy: -37.419
tors. eta vs tors. theta energy: -43.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -539.019329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.019329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.019329 (E_RNA)
where:
Base-Base interactions energy: -330.240
where: short stacking energy: -186.813
Base-Backbone interact. energy: -1.123
local terms energy: -207.656218
where:
bonds (distance) C4'-P energy: -36.410
bonds (distance) P-C4' energy: -45.074
flat angles C4'-P-C4' energy: -48.453
flat angles P-C4'-P energy: -27.857
tors. eta vs tors. theta energy: -49.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -447.892620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.892620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.892620 (E_RNA)
where:
Base-Base interactions energy: -260.474
where: short stacking energy: -129.487
Base-Backbone interact. energy: -1.978
local terms energy: -185.440799
where:
bonds (distance) C4'-P energy: -45.089
bonds (distance) P-C4' energy: -46.677
flat angles C4'-P-C4' energy: -39.044
flat angles P-C4'-P energy: -21.059
tors. eta vs tors. theta energy: -33.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -436.970442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.970442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.970442 (E_RNA)
where:
Base-Base interactions energy: -253.529
where: short stacking energy: -142.478
Base-Backbone interact. energy: -0.605
local terms energy: -182.836114
where:
bonds (distance) C4'-P energy: -44.565
bonds (distance) P-C4' energy: -41.694
flat angles C4'-P-C4' energy: -40.974
flat angles P-C4'-P energy: -27.899
tors. eta vs tors. theta energy: -27.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -395.901651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.901651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.901651 (E_RNA)
where:
Base-Base interactions energy: -225.482
where: short stacking energy: -104.681
Base-Backbone interact. energy: -0.482
local terms energy: -169.937497
where:
bonds (distance) C4'-P energy: -38.479
bonds (distance) P-C4' energy: -48.107
flat angles C4'-P-C4' energy: -40.314
flat angles P-C4'-P energy: -30.395
tors. eta vs tors. theta energy: -12.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -444.627889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.627889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.627889 (E_RNA)
where:
Base-Base interactions energy: -271.647
where: short stacking energy: -115.058
Base-Backbone interact. energy: -0.766
local terms energy: -172.214944
where:
bonds (distance) C4'-P energy: -36.802
bonds (distance) P-C4' energy: -45.010
flat angles C4'-P-C4' energy: -50.123
flat angles P-C4'-P energy: -26.852
tors. eta vs tors. theta energy: -13.428
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: 2
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -292.550338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.550338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.550338 (E_RNA)
where:
Base-Base interactions energy: -145.902
where: short stacking energy: -74.531
Base-Backbone interact. energy: -1.141
local terms energy: -145.507092
where:
bonds (distance) C4'-P energy: -31.762
bonds (distance) P-C4' energy: -45.011
flat angles C4'-P-C4' energy: -39.279
flat angles P-C4'-P energy: -25.869
tors. eta vs tors. theta energy: -3.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -229.335818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.335818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.335818 (E_RNA)
where:
Base-Base interactions energy: -85.847
where: short stacking energy: -60.216
Base-Backbone interact. energy: 0.200
local terms energy: -143.688847
where:
bonds (distance) C4'-P energy: -39.257
bonds (distance) P-C4' energy: -47.862
flat angles C4'-P-C4' energy: -32.656
flat angles P-C4'-P energy: -28.291
tors. eta vs tors. theta energy: 4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -633.349996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.349996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.349996 (E_RNA)
where:
Base-Base interactions energy: -402.062
where: short stacking energy: -190.614
Base-Backbone interact. energy: 0.006
local terms energy: -231.294298
where:
bonds (distance) C4'-P energy: -41.083
bonds (distance) P-C4' energy: -53.940
flat angles C4'-P-C4' energy: -54.697
flat angles P-C4'-P energy: -26.558
tors. eta vs tors. theta energy: -55.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -644.448000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.448000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.448000 (E_RNA)
where:
Base-Base interactions energy: -424.883
where: short stacking energy: -223.643
Base-Backbone interact. energy: -1.425
local terms energy: -218.140092
where:
bonds (distance) C4'-P energy: -49.043
bonds (distance) P-C4' energy: -43.741
flat angles C4'-P-C4' energy: -44.142
flat angles P-C4'-P energy: -30.211
tors. eta vs tors. theta energy: -51.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -605.197016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.197016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.197016 (E_RNA)
where:
Base-Base interactions energy: -387.087
where: short stacking energy: -180.978
Base-Backbone interact. energy: 0.076
local terms energy: -218.185526
where:
bonds (distance) C4'-P energy: -44.564
bonds (distance) P-C4' energy: -55.436
flat angles C4'-P-C4' energy: -54.543
flat angles P-C4'-P energy: -25.081
tors. eta vs tors. theta energy: -38.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -564.697591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.697591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.697591 (E_RNA)
where:
Base-Base interactions energy: -354.689
where: short stacking energy: -176.782
Base-Backbone interact. energy: -1.467
local terms energy: -208.541887
where:
bonds (distance) C4'-P energy: -45.613
bonds (distance) P-C4' energy: -42.824
flat angles C4'-P-C4' energy: -48.725
flat angles P-C4'-P energy: -29.053
tors. eta vs tors. theta energy: -42.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -439.828371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.828371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.828371 (E_RNA)
where:
Base-Base interactions energy: -236.562
where: short stacking energy: -125.433
Base-Backbone interact. energy: -0.603
local terms energy: -202.663255
where:
bonds (distance) C4'-P energy: -51.318
bonds (distance) P-C4' energy: -51.562
flat angles C4'-P-C4' energy: -48.205
flat angles P-C4'-P energy: -31.303
tors. eta vs tors. theta energy: -20.275
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: 11
Temperature: 1.150000
Total energy: -386.665874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.665874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.665874 (E_RNA)
where:
Base-Base interactions energy: -203.320
where: short stacking energy: -121.571
Base-Backbone interact. energy: -2.036
local terms energy: -181.310110
where:
bonds (distance) C4'-P energy: -39.018
bonds (distance) P-C4' energy: -47.013
flat angles C4'-P-C4' energy: -38.511
flat angles P-C4'-P energy: -30.138
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: 7, replica: 9
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -390.159023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.159023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.159023 (E_RNA)
where:
Base-Base interactions energy: -214.756
where: short stacking energy: -131.932
Base-Backbone interact. energy: -0.260
local terms energy: -175.142786
where:
bonds (distance) C4'-P energy: -35.018
bonds (distance) P-C4' energy: -47.453
flat angles C4'-P-C4' energy: -44.607
flat angles P-C4'-P energy: -27.107
tors. eta vs tors. theta energy: -20.958
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: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -436.619998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.619998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.619998 (E_RNA)
where:
Base-Base interactions energy: -264.695
where: short stacking energy: -133.694
Base-Backbone interact. energy: -0.122
local terms energy: -171.803035
where:
bonds (distance) C4'-P energy: -34.539
bonds (distance) P-C4' energy: -40.160
flat angles C4'-P-C4' energy: -43.254
flat angles P-C4'-P energy: -26.285
tors. eta vs tors. theta energy: -27.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -297.459129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.459129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.459129 (E_RNA)
where:
Base-Base interactions energy: -159.258
where: short stacking energy: -96.267
Base-Backbone interact. energy: -1.298
local terms energy: -136.902944
where:
bonds (distance) C4'-P energy: -35.504
bonds (distance) P-C4' energy: -33.533
flat angles C4'-P-C4' energy: -41.421
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -9.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -216.813887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.813887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.813887 (E_RNA)
where:
Base-Base interactions energy: -100.721
where: short stacking energy: -73.857
Base-Backbone interact. energy: -0.544
local terms energy: -115.548976
where:
bonds (distance) C4'-P energy: -37.540
bonds (distance) P-C4' energy: -39.319
flat angles C4'-P-C4' energy: -43.520
flat angles P-C4'-P energy: -3.634
tors. eta vs tors. theta energy: 8.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -673.040550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.040550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.040550 (E_RNA)
where:
Base-Base interactions energy: -420.413
where: short stacking energy: -213.166
Base-Backbone interact. energy: -1.849
local terms energy: -250.778907
where:
bonds (distance) C4'-P energy: -49.752
bonds (distance) P-C4' energy: -58.258
flat angles C4'-P-C4' energy: -54.590
flat angles P-C4'-P energy: -33.260
tors. eta vs tors. theta energy: -54.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -629.417963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.417963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.417963 (E_RNA)
where:
Base-Base interactions energy: -390.793
where: short stacking energy: -180.624
Base-Backbone interact. energy: -0.712
local terms energy: -237.912546
where:
bonds (distance) C4'-P energy: -43.138
bonds (distance) P-C4' energy: -50.362
flat angles C4'-P-C4' energy: -56.496
flat angles P-C4'-P energy: -40.417
tors. eta vs tors. theta energy: -47.499
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: 6
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -590.033150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.033150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.033150 (E_RNA)
where:
Base-Base interactions energy: -373.165
where: short stacking energy: -191.014
Base-Backbone interact. energy: -1.111
local terms energy: -215.757566
where:
bonds (distance) C4'-P energy: -51.192
bonds (distance) P-C4' energy: -40.859
flat angles C4'-P-C4' energy: -54.738
flat angles P-C4'-P energy: -34.585
tors. eta vs tors. theta energy: -34.383
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: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -658.112066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.112066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.112066 (E_RNA)
where:
Base-Base interactions energy: -428.496
where: short stacking energy: -209.023
Base-Backbone interact. energy: -0.495
local terms energy: -229.121175
where:
bonds (distance) C4'-P energy: -49.901
bonds (distance) P-C4' energy: -42.761
flat angles C4'-P-C4' energy: -48.879
flat angles P-C4'-P energy: -25.165
tors. eta vs tors. theta energy: -62.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -438.933459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.933459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.933459 (E_RNA)
where:
Base-Base interactions energy: -264.250
where: short stacking energy: -125.369
Base-Backbone interact. energy: 0.977
local terms energy: -175.660534
where:
bonds (distance) C4'-P energy: -36.779
bonds (distance) P-C4' energy: -43.710
flat angles C4'-P-C4' energy: -41.120
flat angles P-C4'-P energy: -29.616
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -375.104414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.104414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.104414 (E_RNA)
where:
Base-Base interactions energy: -208.678
where: short stacking energy: -126.496
Base-Backbone interact. energy: -0.486
local terms energy: -165.940133
where:
bonds (distance) C4'-P energy: -43.463
bonds (distance) P-C4' energy: -43.125
flat angles C4'-P-C4' energy: -39.358
flat angles P-C4'-P energy: -27.222
tors. eta vs tors. theta energy: -12.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -487.621026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.621026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.621026 (E_RNA)
where:
Base-Base interactions energy: -287.495
where: short stacking energy: -144.485
Base-Backbone interact. energy: -0.317
local terms energy: -199.809485
where:
bonds (distance) C4'-P energy: -42.696
bonds (distance) P-C4' energy: -49.857
flat angles C4'-P-C4' energy: -47.669
flat angles P-C4'-P energy: -27.846
tors. eta vs tors. theta energy: -31.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -409.106291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.106291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.106291 (E_RNA)
where:
Base-Base interactions energy: -228.747
where: short stacking energy: -116.364
Base-Backbone interact. energy: -0.560
local terms energy: -179.799433
where:
bonds (distance) C4'-P energy: -37.812
bonds (distance) P-C4' energy: -45.941
flat angles C4'-P-C4' energy: -49.641
flat angles P-C4'-P energy: -26.198
tors. eta vs tors. theta energy: -20.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -256.069655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.069655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.069655 (E_RNA)
where:
Base-Base interactions energy: -96.704
where: short stacking energy: -68.578
Base-Backbone interact. energy: 1.299
local terms energy: -160.665440
where:
bonds (distance) C4'-P energy: -45.678
bonds (distance) P-C4' energy: -47.258
flat angles C4'-P-C4' energy: -40.742
flat angles P-C4'-P energy: -23.967
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: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -229.147780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.147780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.147780 (E_RNA)
where:
Base-Base interactions energy: -84.270
where: short stacking energy: -68.541
Base-Backbone interact. energy: -1.524
local terms energy: -143.353392
where:
bonds (distance) C4'-P energy: -39.624
bonds (distance) P-C4' energy: -42.684
flat angles C4'-P-C4' energy: -34.704
flat angles P-C4'-P energy: -26.484
tors. eta vs tors. theta energy: 0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -689.226346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.226346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.226346 (E_RNA)
where:
Base-Base interactions energy: -440.165
where: short stacking energy: -224.645
Base-Backbone interact. energy: 0.670
local terms energy: -249.730479
where:
bonds (distance) C4'-P energy: -49.256
bonds (distance) P-C4' energy: -50.557
flat angles C4'-P-C4' energy: -48.062
flat angles P-C4'-P energy: -43.391
tors. eta vs tors. theta energy: -58.466
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: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -655.780382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.780382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.780382 (E_RNA)
where:
Base-Base interactions energy: -435.441
where: short stacking energy: -200.145
Base-Backbone interact. energy: 1.928
local terms energy: -222.267380
where:
bonds (distance) C4'-P energy: -45.577
bonds (distance) P-C4' energy: -49.584
flat angles C4'-P-C4' energy: -50.853
flat angles P-C4'-P energy: -31.282
tors. eta vs tors. theta energy: -44.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -610.925475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.925475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.925475 (E_RNA)
where:
Base-Base interactions energy: -386.279
where: short stacking energy: -191.386
Base-Backbone interact. energy: -1.267
local terms energy: -223.379346
where:
bonds (distance) C4'-P energy: -45.413
bonds (distance) P-C4' energy: -52.544
flat angles C4'-P-C4' energy: -49.049
flat angles P-C4'-P energy: -24.813
tors. eta vs tors. theta energy: -51.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -663.664660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.664660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.664660 (E_RNA)
where:
Base-Base interactions energy: -428.919
where: short stacking energy: -207.347
Base-Backbone interact. energy: -0.797
local terms energy: -233.948965
where:
bonds (distance) C4'-P energy: -44.448
bonds (distance) P-C4' energy: -50.698
flat angles C4'-P-C4' energy: -50.868
flat angles P-C4'-P energy: -33.471
tors. eta vs tors. theta energy: -54.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -412.750534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.750534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.750534 (E_RNA)
where:
Base-Base interactions energy: -232.914
where: short stacking energy: -136.523
Base-Backbone interact. energy: -2.377
local terms energy: -177.459011
where:
bonds (distance) C4'-P energy: -37.873
bonds (distance) P-C4' energy: -46.952
flat angles C4'-P-C4' energy: -45.018
flat angles P-C4'-P energy: -24.272
tors. eta vs tors. theta energy: -23.344
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: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -510.851856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.851856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.851856 (E_RNA)
where:
Base-Base interactions energy: -331.742
where: short stacking energy: -155.810
Base-Backbone interact. energy: -0.529
local terms energy: -178.580527
where:
bonds (distance) C4'-P energy: -29.006
bonds (distance) P-C4' energy: -50.480
flat angles C4'-P-C4' energy: -41.645
flat angles P-C4'-P energy: -29.211
tors. eta vs tors. theta energy: -28.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -326.295571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.295571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.295571 (E_RNA)
where:
Base-Base interactions energy: -161.650
where: short stacking energy: -119.698
Base-Backbone interact. energy: 1.084
local terms energy: -165.729153
where:
bonds (distance) C4'-P energy: -47.759
bonds (distance) P-C4' energy: -45.674
flat angles C4'-P-C4' energy: -40.539
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -13.383
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: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -387.200492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.200492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.200492 (E_RNA)
where:
Base-Base interactions energy: -214.514
where: short stacking energy: -115.390
Base-Backbone interact. energy: -1.984
local terms energy: -170.702236
where:
bonds (distance) C4'-P energy: -45.827
bonds (distance) P-C4' energy: -50.973
flat angles C4'-P-C4' energy: -43.962
flat angles P-C4'-P energy: -16.604
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -293.992981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.992981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.992981 (E_RNA)
where:
Base-Base interactions energy: -140.705
where: short stacking energy: -104.029
Base-Backbone interact. energy: -1.677
local terms energy: -151.610840
where:
bonds (distance) C4'-P energy: -44.859
bonds (distance) P-C4' energy: -42.401
flat angles C4'-P-C4' energy: -29.781
flat angles P-C4'-P energy: -24.453
tors. eta vs tors. theta energy: -10.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -218.592546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.592546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.592546 (E_RNA)
where:
Base-Base interactions energy: -88.722
where: short stacking energy: -58.372
Base-Backbone interact. energy: 0.111
local terms energy: -129.981388
where:
bonds (distance) C4'-P energy: -41.996
bonds (distance) P-C4' energy: -48.141
flat angles C4'-P-C4' energy: -28.257
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: 4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -688.638263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.638263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.638263 (E_RNA)
where:
Base-Base interactions energy: -467.073
where: short stacking energy: -193.192
Base-Backbone interact. energy: 2.518
local terms energy: -224.083423
where:
bonds (distance) C4'-P energy: -49.498
bonds (distance) P-C4' energy: -46.258
flat angles C4'-P-C4' energy: -49.915
flat angles P-C4'-P energy: -37.966
tors. eta vs tors. theta energy: -40.446
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: 14
Temperature: 0.950000
Total energy: -689.107751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.107751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.107751 (E_RNA)
where:
Base-Base interactions energy: -454.484
where: short stacking energy: -213.890
Base-Backbone interact. energy: -1.422
local terms energy: -233.201961
where:
bonds (distance) C4'-P energy: -42.714
bonds (distance) P-C4' energy: -47.437
flat angles C4'-P-C4' energy: -54.433
flat angles P-C4'-P energy: -36.375
tors. eta vs tors. theta energy: -52.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -662.577914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.577914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.577914 (E_RNA)
where:
Base-Base interactions energy: -431.515
where: short stacking energy: -206.174
Base-Backbone interact. energy: -0.396
local terms energy: -230.666881
where:
bonds (distance) C4'-P energy: -39.677
bonds (distance) P-C4' energy: -50.945
flat angles C4'-P-C4' energy: -47.938
flat angles P-C4'-P energy: -33.992
tors. eta vs tors. theta energy: -58.115
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: 14
Temperature: 1.050000
Total energy: -586.075258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.075258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.075258 (E_RNA)
where:
Base-Base interactions energy: -379.092
where: short stacking energy: -202.946
Base-Backbone interact. energy: -2.411
local terms energy: -204.571954
where:
bonds (distance) C4'-P energy: -35.906
bonds (distance) P-C4' energy: -32.689
flat angles C4'-P-C4' energy: -50.744
flat angles P-C4'-P energy: -36.780
tors. eta vs tors. theta energy: -48.452
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: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -622.749160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.749160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.749160 (E_RNA)
where:
Base-Base interactions energy: -398.752
where: short stacking energy: -185.921
Base-Backbone interact. energy: -2.980
local terms energy: -221.017332
where:
bonds (distance) C4'-P energy: -46.103
bonds (distance) P-C4' energy: -54.358
flat angles C4'-P-C4' energy: -44.132
flat angles P-C4'-P energy: -27.324
tors. eta vs tors. theta energy: -49.102
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: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -451.231279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.231279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.231279 (E_RNA)
where:
Base-Base interactions energy: -273.813
where: short stacking energy: -158.460
Base-Backbone interact. energy: 0.008
local terms energy: -177.426358
where:
bonds (distance) C4'-P energy: -45.282
bonds (distance) P-C4' energy: -39.295
flat angles C4'-P-C4' energy: -38.879
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -33.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -460.433495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.433495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.433495 (E_RNA)
where:
Base-Base interactions energy: -274.658
where: short stacking energy: -141.443
Base-Backbone interact. energy: -0.948
local terms energy: -184.827773
where:
bonds (distance) C4'-P energy: -45.604
bonds (distance) P-C4' energy: -46.393
flat angles C4'-P-C4' energy: -43.040
flat angles P-C4'-P energy: -20.601
tors. eta vs tors. theta energy: -29.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -321.858733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.858733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.858733 (E_RNA)
where:
Base-Base interactions energy: -165.596
where: short stacking energy: -104.542
Base-Backbone interact. energy: 0.533
local terms energy: -156.796182
where:
bonds (distance) C4'-P energy: -35.801
bonds (distance) P-C4' energy: -38.876
flat angles C4'-P-C4' energy: -49.082
flat angles P-C4'-P energy: -27.539
tors. eta vs tors. theta energy: -5.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -262.930376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.930376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.930376 (E_RNA)
where:
Base-Base interactions energy: -111.478
where: short stacking energy: -85.104
Base-Backbone interact. energy: -2.287
local terms energy: -149.165497
where:
bonds (distance) C4'-P energy: -36.182
bonds (distance) P-C4' energy: -34.014
flat angles C4'-P-C4' energy: -43.243
flat angles P-C4'-P energy: -29.340
tors. eta vs tors. theta energy: -6.387
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: 2
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -215.739716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.739716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.739716 (E_RNA)
where:
Base-Base interactions energy: -86.551
where: short stacking energy: -72.736
Base-Backbone interact. energy: -0.675
local terms energy: -128.513734
where:
bonds (distance) C4'-P energy: -39.740
bonds (distance) P-C4' energy: -41.295
flat angles C4'-P-C4' energy: -34.382
flat angles P-C4'-P energy: -21.037
tors. eta vs tors. theta energy: 7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -704.149215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.149215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.149215 (E_RNA)
where:
Base-Base interactions energy: -480.263
where: short stacking energy: -186.636
Base-Backbone interact. energy: -1.457
local terms energy: -222.428515
where:
bonds (distance) C4'-P energy: -44.837
bonds (distance) P-C4' energy: -55.119
flat angles C4'-P-C4' energy: -48.562
flat angles P-C4'-P energy: -34.097
tors. eta vs tors. theta energy: -39.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -695.681757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.681757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.681757 (E_RNA)
where:
Base-Base interactions energy: -460.983
where: short stacking energy: -220.092
Base-Backbone interact. energy: -1.103
local terms energy: -233.594802
where:
bonds (distance) C4'-P energy: -38.898
bonds (distance) P-C4' energy: -48.722
flat angles C4'-P-C4' energy: -52.508
flat angles P-C4'-P energy: -36.886
tors. eta vs tors. theta energy: -56.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -672.884592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.884592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.884592 (E_RNA)
where:
Base-Base interactions energy: -464.595
where: short stacking energy: -199.216
Base-Backbone interact. energy: -1.172
local terms energy: -207.117400
where:
bonds (distance) C4'-P energy: -44.462
bonds (distance) P-C4' energy: -46.872
flat angles C4'-P-C4' energy: -47.807
flat angles P-C4'-P energy: -25.184
tors. eta vs tors. theta energy: -42.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -654.834893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.834893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.834893 (E_RNA)
where:
Base-Base interactions energy: -447.526
where: short stacking energy: -210.592
Base-Backbone interact. energy: -1.152
local terms energy: -206.157572
where:
bonds (distance) C4'-P energy: -50.192
bonds (distance) P-C4' energy: -37.703
flat angles C4'-P-C4' energy: -43.065
flat angles P-C4'-P energy: -21.927
tors. eta vs tors. theta energy: -53.270
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: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -537.658356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.658356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.658356 (E_RNA)
where:
Base-Base interactions energy: -339.951
where: short stacking energy: -168.484
Base-Backbone interact. energy: 0.660
local terms energy: -198.367534
where:
bonds (distance) C4'-P energy: -42.235
bonds (distance) P-C4' energy: -38.746
flat angles C4'-P-C4' energy: -45.514
flat angles P-C4'-P energy: -26.026
tors. eta vs tors. theta energy: -45.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -449.274301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.274301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.274301 (E_RNA)
where:
Base-Base interactions energy: -275.357
where: short stacking energy: -150.871
Base-Backbone interact. energy: -1.197
local terms energy: -172.720099
where:
bonds (distance) C4'-P energy: -38.173
bonds (distance) P-C4' energy: -45.465
flat angles C4'-P-C4' energy: -41.296
flat angles P-C4'-P energy: -23.589
tors. eta vs tors. theta energy: -24.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -496.717111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.717111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.717111 (E_RNA)
where:
Base-Base interactions energy: -311.855
where: short stacking energy: -164.242
Base-Backbone interact. energy: -0.204
local terms energy: -184.658477
where:
bonds (distance) C4'-P energy: -43.323
bonds (distance) P-C4' energy: -49.576
flat angles C4'-P-C4' energy: -37.842
flat angles P-C4'-P energy: -26.654
tors. eta vs tors. theta energy: -27.262
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: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -288.890840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.890840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.890840 (E_RNA)
where:
Base-Base interactions energy: -128.371
where: short stacking energy: -85.702
Base-Backbone interact. energy: -1.141
local terms energy: -159.378835
where:
bonds (distance) C4'-P energy: -41.815
bonds (distance) P-C4' energy: -45.102
flat angles C4'-P-C4' energy: -39.604
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -281.456180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.456180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.456180 (E_RNA)
where:
Base-Base interactions energy: -142.550
where: short stacking energy: -92.455
Base-Backbone interact. energy: 1.416
local terms energy: -140.322443
where:
bonds (distance) C4'-P energy: -40.088
bonds (distance) P-C4' energy: -42.670
flat angles C4'-P-C4' energy: -33.485
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -11.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -223.662629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.662629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.662629 (E_RNA)
where:
Base-Base interactions energy: -86.273
where: short stacking energy: -68.939
Base-Backbone interact. energy: -0.288
local terms energy: -137.102082
where:
bonds (distance) C4'-P energy: -39.433
bonds (distance) P-C4' energy: -45.129
flat angles C4'-P-C4' energy: -34.522
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -4.934
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: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -718.117902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.117902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.117902 (E_RNA)
where:
Base-Base interactions energy: -481.801
where: short stacking energy: -205.750
Base-Backbone interact. energy: -2.451
local terms energy: -233.865122
where:
bonds (distance) C4'-P energy: -48.059
bonds (distance) P-C4' energy: -46.255
flat angles C4'-P-C4' energy: -55.175
flat angles P-C4'-P energy: -38.170
tors. eta vs tors. theta energy: -46.207
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: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -720.431122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.431122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.431122 (E_RNA)
where:
Base-Base interactions energy: -467.933
where: short stacking energy: -217.348
Base-Backbone interact. energy: -0.340
local terms energy: -252.158659
where:
bonds (distance) C4'-P energy: -50.200
bonds (distance) P-C4' energy: -51.536
flat angles C4'-P-C4' energy: -53.278
flat angles P-C4'-P energy: -34.570
tors. eta vs tors. theta energy: -62.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -664.014147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.014147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.014147 (E_RNA)
where:
Base-Base interactions energy: -442.150
where: short stacking energy: -188.679
Base-Backbone interact. energy: 3.805
local terms energy: -225.669442
where:
bonds (distance) C4'-P energy: -49.544
bonds (distance) P-C4' energy: -48.852
flat angles C4'-P-C4' energy: -52.106
flat angles P-C4'-P energy: -25.624
tors. eta vs tors. theta energy: -49.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -615.380729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.380729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.380729 (E_RNA)
where:
Base-Base interactions energy: -425.344
where: short stacking energy: -199.805
Base-Backbone interact. energy: -0.280
local terms energy: -189.757274
where:
bonds (distance) C4'-P energy: -41.994
bonds (distance) P-C4' energy: -38.356
flat angles C4'-P-C4' energy: -43.739
flat angles P-C4'-P energy: -19.129
tors. eta vs tors. theta energy: -46.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -564.807506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.807506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.807506 (E_RNA)
where:
Base-Base interactions energy: -366.248
where: short stacking energy: -187.338
Base-Backbone interact. energy: -0.018
local terms energy: -198.541396
where:
bonds (distance) C4'-P energy: -46.535
bonds (distance) P-C4' energy: -47.727
flat angles C4'-P-C4' energy: -51.476
flat angles P-C4'-P energy: -23.557
tors. eta vs tors. theta energy: -29.246
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: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -449.766371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.766371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.766371 (E_RNA)
where:
Base-Base interactions energy: -269.502
where: short stacking energy: -143.194
Base-Backbone interact. energy: -2.065
local terms energy: -178.199576
where:
bonds (distance) C4'-P energy: -37.038
bonds (distance) P-C4' energy: -47.159
flat angles C4'-P-C4' energy: -37.936
flat angles P-C4'-P energy: -27.859
tors. eta vs tors. theta energy: -28.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -437.689875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.689875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.689875 (E_RNA)
where:
Base-Base interactions energy: -275.609
where: short stacking energy: -137.552
Base-Backbone interact. energy: -1.693
local terms energy: -160.387626
where:
bonds (distance) C4'-P energy: -33.486
bonds (distance) P-C4' energy: -45.787
flat angles C4'-P-C4' energy: -40.905
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -21.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -235.520797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.520797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.520797 (E_RNA)
where:
Base-Base interactions energy: -99.862
where: short stacking energy: -101.262
Base-Backbone interact. energy: 2.195
local terms energy: -137.853696
where:
bonds (distance) C4'-P energy: -33.601
bonds (distance) P-C4' energy: -44.352
flat angles C4'-P-C4' energy: -40.274
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -266.609695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.609695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.609695 (E_RNA)
where:
Base-Base interactions energy: -124.791
where: short stacking energy: -68.374
Base-Backbone interact. energy: -0.877
local terms energy: -140.941809
where:
bonds (distance) C4'-P energy: -40.760
bonds (distance) P-C4' energy: -45.723
flat angles C4'-P-C4' energy: -31.781
flat angles P-C4'-P energy: -23.385
tors. eta vs tors. theta energy: 0.707
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: 2
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -246.525008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.525008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.525008 (E_RNA)
where:
Base-Base interactions energy: -137.178
where: short stacking energy: -67.248
Base-Backbone interact. energy: -0.273
local terms energy: -109.073577
where:
bonds (distance) C4'-P energy: -31.657
bonds (distance) P-C4' energy: -42.396
flat angles C4'-P-C4' energy: -28.982
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -724.947644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.947644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.947644 (E_RNA)
where:
Base-Base interactions energy: -482.514
where: short stacking energy: -198.481
Base-Backbone interact. energy: -1.929
local terms energy: -240.504926
where:
bonds (distance) C4'-P energy: -50.304
bonds (distance) P-C4' energy: -49.013
flat angles C4'-P-C4' energy: -55.490
flat angles P-C4'-P energy: -34.850
tors. eta vs tors. theta energy: -50.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -704.592038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.592038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.592038 (E_RNA)
where:
Base-Base interactions energy: -460.058
where: short stacking energy: -238.976
Base-Backbone interact. energy: 0.610
local terms energy: -245.143637
where:
bonds (distance) C4'-P energy: -46.536
bonds (distance) P-C4' energy: -42.564
flat angles C4'-P-C4' energy: -57.071
flat angles P-C4'-P energy: -37.309
tors. eta vs tors. theta energy: -61.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -665.382218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.382218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.382218 (E_RNA)
where:
Base-Base interactions energy: -448.676
where: short stacking energy: -198.760
Base-Backbone interact. energy: -0.661
local terms energy: -216.044680
where:
bonds (distance) C4'-P energy: -44.558
bonds (distance) P-C4' energy: -45.205
flat angles C4'-P-C4' energy: -44.560
flat angles P-C4'-P energy: -32.094
tors. eta vs tors. theta energy: -49.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -581.153929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.153929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.153929 (E_RNA)
where:
Base-Base interactions energy: -365.105
where: short stacking energy: -180.552
Base-Backbone interact. energy: -1.697
local terms energy: -214.352683
where:
bonds (distance) C4'-P energy: -50.168
bonds (distance) P-C4' energy: -42.628
flat angles C4'-P-C4' energy: -51.204
flat angles P-C4'-P energy: -23.357
tors. eta vs tors. theta energy: -46.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -591.521275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.521275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.521275 (E_RNA)
where:
Base-Base interactions energy: -375.734
where: short stacking energy: -186.757
Base-Backbone interact. energy: 0.516
local terms energy: -216.303739
where:
bonds (distance) C4'-P energy: -51.727
bonds (distance) P-C4' energy: -49.331
flat angles C4'-P-C4' energy: -44.001
flat angles P-C4'-P energy: -29.362
tors. eta vs tors. theta energy: -41.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -473.490365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.490365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.490365 (E_RNA)
where:
Base-Base interactions energy: -290.426
where: short stacking energy: -157.539
Base-Backbone interact. energy: -0.716
local terms energy: -182.349214
where:
bonds (distance) C4'-P energy: -39.839
bonds (distance) P-C4' energy: -54.861
flat angles C4'-P-C4' energy: -40.637
flat angles P-C4'-P energy: -23.899
tors. eta vs tors. theta energy: -23.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -426.336980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.336980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.336980 (E_RNA)
where:
Base-Base interactions energy: -248.969
where: short stacking energy: -140.184
Base-Backbone interact. energy: -0.858
local terms energy: -176.510560
where:
bonds (distance) C4'-P energy: -39.629
bonds (distance) P-C4' energy: -32.005
flat angles C4'-P-C4' energy: -47.030
flat angles P-C4'-P energy: -23.808
tors. eta vs tors. theta energy: -34.039
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: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -280.004000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.004000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.004000 (E_RNA)
where:
Base-Base interactions energy: -131.175
where: short stacking energy: -102.102
Base-Backbone interact. energy: -0.083
local terms energy: -148.745846
where:
bonds (distance) C4'-P energy: -39.501
bonds (distance) P-C4' energy: -41.728
flat angles C4'-P-C4' energy: -32.591
flat angles P-C4'-P energy: -25.907
tors. eta vs tors. theta energy: -9.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -248.605088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.605088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.605088 (E_RNA)
where:
Base-Base interactions energy: -98.994
where: short stacking energy: -90.824
Base-Backbone interact. energy: -0.709
local terms energy: -148.902054
where:
bonds (distance) C4'-P energy: -40.028
bonds (distance) P-C4' energy: -42.386
flat angles C4'-P-C4' energy: -32.289
flat angles P-C4'-P energy: -30.053
tors. eta vs tors. theta energy: -4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -248.881264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.881264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.881264 (E_RNA)
where:
Base-Base interactions energy: -104.862
where: short stacking energy: -66.564
Base-Backbone interact. energy: 3.792
local terms energy: -147.810826
where:
bonds (distance) C4'-P energy: -45.614
bonds (distance) P-C4' energy: -42.716
flat angles C4'-P-C4' energy: -35.684
flat angles P-C4'-P energy: -23.927
tors. eta vs tors. theta energy: 0.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -727.934834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.934834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.934834 (E_RNA)
where:
Base-Base interactions energy: -473.429
where: short stacking energy: -242.657
Base-Backbone interact. energy: -0.135
local terms energy: -254.370406
where:
bonds (distance) C4'-P energy: -50.579
bonds (distance) P-C4' energy: -45.474
flat angles C4'-P-C4' energy: -51.309
flat angles P-C4'-P energy: -37.189
tors. eta vs tors. theta energy: -69.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -703.004590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.004590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.004590 (E_RNA)
where:
Base-Base interactions energy: -479.131
where: short stacking energy: -204.280
Base-Backbone interact. energy: 1.007
local terms energy: -224.880200
where:
bonds (distance) C4'-P energy: -45.575
bonds (distance) P-C4' energy: -42.472
flat angles C4'-P-C4' energy: -54.964
flat angles P-C4'-P energy: -31.802
tors. eta vs tors. theta energy: -50.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -693.482665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.482665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.482665 (E_RNA)
where:
Base-Base interactions energy: -463.603
where: short stacking energy: -207.673
Base-Backbone interact. energy: -1.012
local terms energy: -228.867396
where:
bonds (distance) C4'-P energy: -48.840
bonds (distance) P-C4' energy: -42.409
flat angles C4'-P-C4' energy: -51.072
flat angles P-C4'-P energy: -37.420
tors. eta vs tors. theta energy: -49.126
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: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -580.543971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.543971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.543971 (E_RNA)
where:
Base-Base interactions energy: -359.258
where: short stacking energy: -177.408
Base-Backbone interact. energy: -1.812
local terms energy: -219.473638
where:
bonds (distance) C4'-P energy: -37.643
bonds (distance) P-C4' energy: -51.534
flat angles C4'-P-C4' energy: -50.767
flat angles P-C4'-P energy: -33.031
tors. eta vs tors. theta energy: -46.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -605.381920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.381920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.381920 (E_RNA)
where:
Base-Base interactions energy: -388.642
where: short stacking energy: -194.690
Base-Backbone interact. energy: 0.594
local terms energy: -217.333911
where:
bonds (distance) C4'-P energy: -43.576
bonds (distance) P-C4' energy: -45.071
flat angles C4'-P-C4' energy: -45.673
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -44.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -460.394890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.394890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.394890 (E_RNA)
where:
Base-Base interactions energy: -283.900
where: short stacking energy: -151.198
Base-Backbone interact. energy: -0.757
local terms energy: -175.737523
where:
bonds (distance) C4'-P energy: -35.510
bonds (distance) P-C4' energy: -46.147
flat angles C4'-P-C4' energy: -40.659
flat angles P-C4'-P energy: -20.084
tors. eta vs tors. theta energy: -33.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -470.960796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.960796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.960796 (E_RNA)
where:
Base-Base interactions energy: -293.697
where: short stacking energy: -148.200
Base-Backbone interact. energy: -1.802
local terms energy: -175.461649
where:
bonds (distance) C4'-P energy: -40.366
bonds (distance) P-C4' energy: -49.028
flat angles C4'-P-C4' energy: -34.197
flat angles P-C4'-P energy: -27.328
tors. eta vs tors. theta energy: -24.543
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: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -301.711861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.711861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.711861 (E_RNA)
where:
Base-Base interactions energy: -157.973
where: short stacking energy: -79.490
Base-Backbone interact. energy: 2.729
local terms energy: -146.468256
where:
bonds (distance) C4'-P energy: -34.599
bonds (distance) P-C4' energy: -46.675
flat angles C4'-P-C4' energy: -27.786
flat angles P-C4'-P energy: -32.467
tors. eta vs tors. theta energy: -4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -237.954689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.954689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.954689 (E_RNA)
where:
Base-Base interactions energy: -99.468
where: short stacking energy: -95.015
Base-Backbone interact. energy: -1.107
local terms energy: -137.380529
where:
bonds (distance) C4'-P energy: -38.853
bonds (distance) P-C4' energy: -40.600
flat angles C4'-P-C4' energy: -38.392
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -8.480
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: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -229.649491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.649491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.649491 (E_RNA)
where:
Base-Base interactions energy: -90.503
where: short stacking energy: -80.380
Base-Backbone interact. energy: -0.169
local terms energy: -138.977963
where:
bonds (distance) C4'-P energy: -34.650
bonds (distance) P-C4' energy: -40.919
flat angles C4'-P-C4' energy: -27.416
flat angles P-C4'-P energy: -27.557
tors. eta vs tors. theta energy: -8.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -738.677587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.677587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.677587 (E_RNA)
where:
Base-Base interactions energy: -480.962
where: short stacking energy: -241.202
Base-Backbone interact. energy: -0.293
local terms energy: -257.422116
where:
bonds (distance) C4'-P energy: -49.727
bonds (distance) P-C4' energy: -55.275
flat angles C4'-P-C4' energy: -52.479
flat angles P-C4'-P energy: -32.051
tors. eta vs tors. theta energy: -67.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -694.277150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.277150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.277150 (E_RNA)
where:
Base-Base interactions energy: -449.271
where: short stacking energy: -209.286
Base-Backbone interact. energy: -1.864
local terms energy: -243.141691
where:
bonds (distance) C4'-P energy: -50.157
bonds (distance) P-C4' energy: -50.600
flat angles C4'-P-C4' energy: -49.868
flat angles P-C4'-P energy: -38.468
tors. eta vs tors. theta energy: -54.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -680.644797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.644797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.644797 (E_RNA)
where:
Base-Base interactions energy: -462.659
where: short stacking energy: -201.831
Base-Backbone interact. energy: -1.398
local terms energy: -216.588295
where:
bonds (distance) C4'-P energy: -40.535
bonds (distance) P-C4' energy: -52.731
flat angles C4'-P-C4' energy: -47.481
flat angles P-C4'-P energy: -29.737
tors. eta vs tors. theta energy: -46.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -590.844144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.844144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.844144 (E_RNA)
where:
Base-Base interactions energy: -357.084
where: short stacking energy: -192.182
Base-Backbone interact. energy: -0.531
local terms energy: -233.229408
where:
bonds (distance) C4'-P energy: -48.780
bonds (distance) P-C4' energy: -52.658
flat angles C4'-P-C4' energy: -47.619
flat angles P-C4'-P energy: -35.542
tors. eta vs tors. theta energy: -48.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -549.614345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.614345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.614345 (E_RNA)
where:
Base-Base interactions energy: -340.663
where: short stacking energy: -153.031
Base-Backbone interact. energy: -0.397
local terms energy: -208.554840
where:
bonds (distance) C4'-P energy: -48.412
bonds (distance) P-C4' energy: -45.588
flat angles C4'-P-C4' energy: -47.542
flat angles P-C4'-P energy: -29.944
tors. eta vs tors. theta energy: -37.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -488.766336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.766336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.766336 (E_RNA)
where:
Base-Base interactions energy: -282.105
where: short stacking energy: -155.066
Base-Backbone interact. energy: 2.460
local terms energy: -209.121736
where:
bonds (distance) C4'-P energy: -49.522
bonds (distance) P-C4' energy: -42.888
flat angles C4'-P-C4' energy: -40.822
flat angles P-C4'-P energy: -32.911
tors. eta vs tors. theta energy: -42.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -496.514977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.514977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.514977 (E_RNA)
where:
Base-Base interactions energy: -298.282
where: short stacking energy: -151.404
Base-Backbone interact. energy: -1.449
local terms energy: -196.784633
where:
bonds (distance) C4'-P energy: -43.882
bonds (distance) P-C4' energy: -35.253
flat angles C4'-P-C4' energy: -50.332
flat angles P-C4'-P energy: -32.214
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: 8, replica: 2
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -278.376158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.376158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.376158 (E_RNA)
where:
Base-Base interactions energy: -137.606
where: short stacking energy: -90.621
Base-Backbone interact. energy: -0.750
local terms energy: -140.019956
where:
bonds (distance) C4'-P energy: -41.438
bonds (distance) P-C4' energy: -50.831
flat angles C4'-P-C4' energy: -32.068
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: 0.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -236.333451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.333451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.333451 (E_RNA)
where:
Base-Base interactions energy: -97.868
where: short stacking energy: -87.121
Base-Backbone interact. energy: -0.098
local terms energy: -138.366934
where:
bonds (distance) C4'-P energy: -37.107
bonds (distance) P-C4' energy: -44.582
flat angles C4'-P-C4' energy: -39.053
flat angles P-C4'-P energy: -20.334
tors. eta vs tors. theta energy: 2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -213.040003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.040003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.040003 (E_RNA)
where:
Base-Base interactions energy: -84.586
where: short stacking energy: -59.091
Base-Backbone interact. energy: -2.027
local terms energy: -126.427953
where:
bonds (distance) C4'-P energy: -34.931
bonds (distance) P-C4' energy: -37.465
flat angles C4'-P-C4' energy: -36.862
flat angles P-C4'-P energy: -21.584
tors. eta vs tors. theta energy: 4.414
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: 20
Temperature: 0.900000
Total energy: -746.184836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.184836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.184836 (E_RNA)
where:
Base-Base interactions energy: -487.392
where: short stacking energy: -240.036
Base-Backbone interact. energy: -2.035
local terms energy: -256.758371
where:
bonds (distance) C4'-P energy: -51.887
bonds (distance) P-C4' energy: -48.255
flat angles C4'-P-C4' energy: -58.772
flat angles P-C4'-P energy: -38.350
tors. eta vs tors. theta energy: -59.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -755.948871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.948871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.948871 (E_RNA)
where:
Base-Base interactions energy: -495.405
where: short stacking energy: -238.521
Base-Backbone interact. energy: -0.287
local terms energy: -260.256727
where:
bonds (distance) C4'-P energy: -53.504
bonds (distance) P-C4' energy: -44.181
flat angles C4'-P-C4' energy: -52.314
flat angles P-C4'-P energy: -39.651
tors. eta vs tors. theta energy: -70.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -666.409571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.409571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.409571 (E_RNA)
where:
Base-Base interactions energy: -463.442
where: short stacking energy: -195.353
Base-Backbone interact. energy: -1.661
local terms energy: -201.307263
where:
bonds (distance) C4'-P energy: -43.600
bonds (distance) P-C4' energy: -43.575
flat angles C4'-P-C4' energy: -50.058
flat angles P-C4'-P energy: -21.424
tors. eta vs tors. theta energy: -42.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -605.242829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.242829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.242829 (E_RNA)
where:
Base-Base interactions energy: -396.963
where: short stacking energy: -181.722
Base-Backbone interact. energy: 0.743
local terms energy: -209.022867
where:
bonds (distance) C4'-P energy: -51.534
bonds (distance) P-C4' energy: -45.569
flat angles C4'-P-C4' energy: -46.106
flat angles P-C4'-P energy: -32.434
tors. eta vs tors. theta energy: -33.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -573.486564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.486564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.486564 (E_RNA)
where:
Base-Base interactions energy: -376.143
where: short stacking energy: -180.586
Base-Backbone interact. energy: -0.400
local terms energy: -196.943427
where:
bonds (distance) C4'-P energy: -42.399
bonds (distance) P-C4' energy: -40.427
flat angles C4'-P-C4' energy: -40.634
flat angles P-C4'-P energy: -30.682
tors. eta vs tors. theta energy: -42.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -493.338348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.338348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.338348 (E_RNA)
where:
Base-Base interactions energy: -303.086
where: short stacking energy: -147.435
Base-Backbone interact. energy: -0.260
local terms energy: -189.992821
where:
bonds (distance) C4'-P energy: -46.912
bonds (distance) P-C4' energy: -46.624
flat angles C4'-P-C4' energy: -48.016
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -28.217
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: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -595.869168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.869168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.869168 (E_RNA)
where:
Base-Base interactions energy: -392.423
where: short stacking energy: -179.234
Base-Backbone interact. energy: 1.381
local terms energy: -204.826818
where:
bonds (distance) C4'-P energy: -44.951
bonds (distance) P-C4' energy: -39.443
flat angles C4'-P-C4' energy: -36.539
flat angles P-C4'-P energy: -29.389
tors. eta vs tors. theta energy: -54.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -260.915256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.915256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.915256 (E_RNA)
where:
Base-Base interactions energy: -124.713
where: short stacking energy: -102.144
Base-Backbone interact. energy: -0.930
local terms energy: -135.272446
where:
bonds (distance) C4'-P energy: -29.740
bonds (distance) P-C4' energy: -39.404
flat angles C4'-P-C4' energy: -36.171
flat angles P-C4'-P energy: -25.115
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -240.926852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.926852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.926852 (E_RNA)
where:
Base-Base interactions energy: -103.162
where: short stacking energy: -79.324
Base-Backbone interact. energy: -3.878
local terms energy: -133.886478
where:
bonds (distance) C4'-P energy: -32.421
bonds (distance) P-C4' energy: -38.777
flat angles C4'-P-C4' energy: -44.442
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -2.942
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: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -220.116084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.116084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.116084 (E_RNA)
where:
Base-Base interactions energy: -96.802
where: short stacking energy: -53.361
Base-Backbone interact. energy: -0.537
local terms energy: -122.776627
where:
bonds (distance) C4'-P energy: -41.026
bonds (distance) P-C4' energy: -43.200
flat angles C4'-P-C4' energy: -33.534
flat angles P-C4'-P energy: -18.826
tors. eta vs tors. theta energy: 13.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -751.481095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.481095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.481095 (E_RNA)
where:
Base-Base interactions energy: -497.686
where: short stacking energy: -232.519
Base-Backbone interact. energy: -3.109
local terms energy: -250.685882
where:
bonds (distance) C4'-P energy: -42.023
bonds (distance) P-C4' energy: -50.024
flat angles C4'-P-C4' energy: -53.884
flat angles P-C4'-P energy: -38.327
tors. eta vs tors. theta energy: -66.427
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: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -742.454637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.454637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.454637 (E_RNA)
where:
Base-Base interactions energy: -484.302
where: short stacking energy: -223.726
Base-Backbone interact. energy: -0.867
local terms energy: -257.285666
where:
bonds (distance) C4'-P energy: -52.119
bonds (distance) P-C4' energy: -47.485
flat angles C4'-P-C4' energy: -50.223
flat angles P-C4'-P energy: -37.217
tors. eta vs tors. theta energy: -70.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -670.497097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.497097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.497097 (E_RNA)
where:
Base-Base interactions energy: -430.645
where: short stacking energy: -176.894
Base-Backbone interact. energy: -1.211
local terms energy: -238.641111
where:
bonds (distance) C4'-P energy: -51.497
bonds (distance) P-C4' energy: -49.247
flat angles C4'-P-C4' energy: -55.528
flat angles P-C4'-P energy: -35.577
tors. eta vs tors. theta energy: -46.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -602.319856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.319856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.319856 (E_RNA)
where:
Base-Base interactions energy: -394.779
where: short stacking energy: -200.973
Base-Backbone interact. energy: 0.036
local terms energy: -207.576913
where:
bonds (distance) C4'-P energy: -36.834
bonds (distance) P-C4' energy: -50.865
flat angles C4'-P-C4' energy: -51.398
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -39.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -532.595014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.595014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.595014 (E_RNA)
where:
Base-Base interactions energy: -327.614
where: short stacking energy: -166.833
Base-Backbone interact. energy: -0.652
local terms energy: -204.328601
where:
bonds (distance) C4'-P energy: -50.923
bonds (distance) P-C4' energy: -41.489
flat angles C4'-P-C4' energy: -45.593
flat angles P-C4'-P energy: -29.177
tors. eta vs tors. theta energy: -37.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -592.930654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.930654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.930654 (E_RNA)
where:
Base-Base interactions energy: -371.782
where: short stacking energy: -190.166
Base-Backbone interact. energy: -0.454
local terms energy: -220.694833
where:
bonds (distance) C4'-P energy: -35.080
bonds (distance) P-C4' energy: -51.460
flat angles C4'-P-C4' energy: -42.980
flat angles P-C4'-P energy: -34.137
tors. eta vs tors. theta energy: -57.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -516.333229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.333229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.333229 (E_RNA)
where:
Base-Base interactions energy: -336.606
where: short stacking energy: -164.149
Base-Backbone interact. energy: 0.176
local terms energy: -179.903499
where:
bonds (distance) C4'-P energy: -39.394
bonds (distance) P-C4' energy: -33.043
flat angles C4'-P-C4' energy: -50.895
flat angles P-C4'-P energy: -23.348
tors. eta vs tors. theta energy: -33.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -259.717437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.717437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.717437 (E_RNA)
where:
Base-Base interactions energy: -123.490
where: short stacking energy: -80.808
Base-Backbone interact. energy: 0.884
local terms energy: -137.111224
where:
bonds (distance) C4'-P energy: -38.459
bonds (distance) P-C4' energy: -50.202
flat angles C4'-P-C4' energy: -27.607
flat angles P-C4'-P energy: -22.367
tors. eta vs tors. theta energy: 1.524
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: 5
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -213.956117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.956117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.956117 (E_RNA)
where:
Base-Base interactions energy: -62.124
where: short stacking energy: -54.793
Base-Backbone interact. energy: 1.397
local terms energy: -153.229380
where:
bonds (distance) C4'-P energy: -52.054
bonds (distance) P-C4' energy: -44.828
flat angles C4'-P-C4' energy: -36.509
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -247.756206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.756206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.756206 (E_RNA)
where:
Base-Base interactions energy: -118.589
where: short stacking energy: -71.121
Base-Backbone interact. energy: -1.531
local terms energy: -127.635785
where:
bonds (distance) C4'-P energy: -31.232
bonds (distance) P-C4' energy: -40.002
flat angles C4'-P-C4' energy: -36.949
flat angles P-C4'-P energy: -19.759
tors. eta vs tors. theta energy: 0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -776.862873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.862873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.862873 (E_RNA)
where:
Base-Base interactions energy: -518.894
where: short stacking energy: -242.987
Base-Backbone interact. energy: -0.775
local terms energy: -257.193720
where:
bonds (distance) C4'-P energy: -45.972
bonds (distance) P-C4' energy: -54.244
flat angles C4'-P-C4' energy: -52.723
flat angles P-C4'-P energy: -32.294
tors. eta vs tors. theta energy: -71.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -749.839372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.839372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.839372 (E_RNA)
where:
Base-Base interactions energy: -506.168
where: short stacking energy: -238.464
Base-Backbone interact. energy: 0.101
local terms energy: -243.772079
where:
bonds (distance) C4'-P energy: -52.979
bonds (distance) P-C4' energy: -42.523
flat angles C4'-P-C4' energy: -47.116
flat angles P-C4'-P energy: -39.289
tors. eta vs tors. theta energy: -61.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -629.580469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.580469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.580469 (E_RNA)
where:
Base-Base interactions energy: -400.164
where: short stacking energy: -194.124
Base-Backbone interact. energy: 0.666
local terms energy: -230.082735
where:
bonds (distance) C4'-P energy: -45.366
bonds (distance) P-C4' energy: -49.477
flat angles C4'-P-C4' energy: -52.842
flat angles P-C4'-P energy: -32.985
tors. eta vs tors. theta energy: -49.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -655.145159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.145159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.145159 (E_RNA)
where:
Base-Base interactions energy: -430.452
where: short stacking energy: -183.987
Base-Backbone interact. energy: -0.262
local terms energy: -224.431410
where:
bonds (distance) C4'-P energy: -45.787
bonds (distance) P-C4' energy: -47.564
flat angles C4'-P-C4' energy: -53.409
flat angles P-C4'-P energy: -27.540
tors. eta vs tors. theta energy: -50.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -682.495119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.495119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.495119 (E_RNA)
where:
Base-Base interactions energy: -442.404
where: short stacking energy: -212.152
Base-Backbone interact. energy: -0.272
local terms energy: -239.819176
where:
bonds (distance) C4'-P energy: -48.810
bonds (distance) P-C4' energy: -44.656
flat angles C4'-P-C4' energy: -49.730
flat angles P-C4'-P energy: -36.760
tors. eta vs tors. theta energy: -59.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -532.091449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.091449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.091449 (E_RNA)
where:
Base-Base interactions energy: -342.990
where: short stacking energy: -174.974
Base-Backbone interact. energy: -0.187
local terms energy: -188.914077
where:
bonds (distance) C4'-P energy: -49.140
bonds (distance) P-C4' energy: -32.196
flat angles C4'-P-C4' energy: -46.913
flat angles P-C4'-P energy: -30.816
tors. eta vs tors. theta energy: -29.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -513.473361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.473361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.473361 (E_RNA)
where:
Base-Base interactions energy: -332.017
where: short stacking energy: -163.857
Base-Backbone interact. energy: -0.765
local terms energy: -180.691578
where:
bonds (distance) C4'-P energy: -40.710
bonds (distance) P-C4' energy: -34.770
flat angles C4'-P-C4' energy: -43.440
flat angles P-C4'-P energy: -27.414
tors. eta vs tors. theta energy: -34.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -306.626537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.626537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.626537 (E_RNA)
where:
Base-Base interactions energy: -138.867
where: short stacking energy: -98.038
Base-Backbone interact. energy: 0.308
local terms energy: -168.067717
where:
bonds (distance) C4'-P energy: -44.941
bonds (distance) P-C4' energy: -42.307
flat angles C4'-P-C4' energy: -29.961
flat angles P-C4'-P energy: -33.999
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -273.568104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.568104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.568104 (E_RNA)
where:
Base-Base interactions energy: -122.462
where: short stacking energy: -90.260
Base-Backbone interact. energy: -0.656
local terms energy: -150.449474
where:
bonds (distance) C4'-P energy: -37.468
bonds (distance) P-C4' energy: -40.228
flat angles C4'-P-C4' energy: -46.431
flat angles P-C4'-P energy: -20.527
tors. eta vs tors. theta energy: -5.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -218.728075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.728075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.728075 (E_RNA)
where:
Base-Base interactions energy: -87.174
where: short stacking energy: -69.709
Base-Backbone interact. energy: -0.910
local terms energy: -130.643263
where:
bonds (distance) C4'-P energy: -38.886
bonds (distance) P-C4' energy: -49.698
flat angles C4'-P-C4' energy: -34.778
flat angles P-C4'-P energy: -21.660
tors. eta vs tors. theta energy: 14.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -780.549209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.549209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.549209 (E_RNA)
where:
Base-Base interactions energy: -524.516
where: short stacking energy: -246.458
Base-Backbone interact. energy: -0.805
local terms energy: -255.228027
where:
bonds (distance) C4'-P energy: -49.008
bonds (distance) P-C4' energy: -49.209
flat angles C4'-P-C4' energy: -50.719
flat angles P-C4'-P energy: -33.188
tors. eta vs tors. theta energy: -73.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -735.954926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.954926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.954926 (E_RNA)
where:
Base-Base interactions energy: -493.825
where: short stacking energy: -216.858
Base-Backbone interact. energy: -0.268
local terms energy: -241.861007
where:
bonds (distance) C4'-P energy: -44.820
bonds (distance) P-C4' energy: -47.219
flat angles C4'-P-C4' energy: -50.856
flat angles P-C4'-P energy: -36.182
tors. eta vs tors. theta energy: -62.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -612.789460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.789460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.789460 (E_RNA)
where:
Base-Base interactions energy: -396.623
where: short stacking energy: -200.133
Base-Backbone interact. energy: -0.753
local terms energy: -215.412950
where:
bonds (distance) C4'-P energy: -42.693
bonds (distance) P-C4' energy: -42.952
flat angles C4'-P-C4' energy: -49.501
flat angles P-C4'-P energy: -33.703
tors. eta vs tors. theta energy: -46.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -684.210519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.210519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.210519 (E_RNA)
where:
Base-Base interactions energy: -456.407
where: short stacking energy: -233.148
Base-Backbone interact. energy: -2.232
local terms energy: -225.571499
where:
bonds (distance) C4'-P energy: -43.267
bonds (distance) P-C4' energy: -48.111
flat angles C4'-P-C4' energy: -44.205
flat angles P-C4'-P energy: -29.413
tors. eta vs tors. theta energy: -60.575
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: 4
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -654.909450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.909450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.909450 (E_RNA)
where:
Base-Base interactions energy: -430.298
where: short stacking energy: -182.150
Base-Backbone interact. energy: -0.773
local terms energy: -223.838742
where:
bonds (distance) C4'-P energy: -46.026
bonds (distance) P-C4' energy: -48.060
flat angles C4'-P-C4' energy: -46.359
flat angles P-C4'-P energy: -35.036
tors. eta vs tors. theta energy: -48.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -532.897446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.897446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.897446 (E_RNA)
where:
Base-Base interactions energy: -347.932
where: short stacking energy: -166.563
Base-Backbone interact. energy: 0.139
local terms energy: -185.104145
where:
bonds (distance) C4'-P energy: -43.893
bonds (distance) P-C4' energy: -42.129
flat angles C4'-P-C4' energy: -44.271
flat angles P-C4'-P energy: -21.432
tors. eta vs tors. theta energy: -33.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -444.367645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.367645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.367645 (E_RNA)
where:
Base-Base interactions energy: -259.674
where: short stacking energy: -129.003
Base-Backbone interact. energy: -0.988
local terms energy: -183.706191
where:
bonds (distance) C4'-P energy: -42.882
bonds (distance) P-C4' energy: -43.376
flat angles C4'-P-C4' energy: -49.613
flat angles P-C4'-P energy: -25.176
tors. eta vs tors. theta energy: -22.659
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: 2
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -315.482490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.482490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.482490 (E_RNA)
where:
Base-Base interactions energy: -154.208
where: short stacking energy: -103.240
Base-Backbone interact. energy: -0.101
local terms energy: -161.173361
where:
bonds (distance) C4'-P energy: -38.646
bonds (distance) P-C4' energy: -40.879
flat angles C4'-P-C4' energy: -45.976
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: -13.268
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: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -237.304986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.304986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.304986 (E_RNA)
where:
Base-Base interactions energy: -110.736
where: short stacking energy: -83.212
Base-Backbone interact. energy: 0.777
local terms energy: -127.345741
where:
bonds (distance) C4'-P energy: -28.093
bonds (distance) P-C4' energy: -38.538
flat angles C4'-P-C4' energy: -36.127
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -9.782
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: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -204.718536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.718536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.718536 (E_RNA)
where:
Base-Base interactions energy: -79.179
where: short stacking energy: -64.659
Base-Backbone interact. energy: -0.338
local terms energy: -125.201904
where:
bonds (distance) C4'-P energy: -43.505
bonds (distance) P-C4' energy: -48.080
flat angles C4'-P-C4' energy: -33.569
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: 10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -779.526304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.526304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.526304 (E_RNA)
where:
Base-Base interactions energy: -521.544
where: short stacking energy: -249.315
Base-Backbone interact. energy: -0.179
local terms energy: -257.803447
where:
bonds (distance) C4'-P energy: -47.798
bonds (distance) P-C4' energy: -48.911
flat angles C4'-P-C4' energy: -57.000
flat angles P-C4'-P energy: -36.510
tors. eta vs tors. theta energy: -67.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -752.064603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.064603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.064603 (E_RNA)
where:
Base-Base interactions energy: -499.845
where: short stacking energy: -244.643
Base-Backbone interact. energy: -1.334
local terms energy: -250.885777
where:
bonds (distance) C4'-P energy: -43.496
bonds (distance) P-C4' energy: -50.919
flat angles C4'-P-C4' energy: -53.477
flat angles P-C4'-P energy: -38.332
tors. eta vs tors. theta energy: -64.662
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: 3, replica: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -731.367834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.367834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.367834 (E_RNA)
where:
Base-Base interactions energy: -473.218
where: short stacking energy: -229.554
Base-Backbone interact. energy: -0.876
local terms energy: -257.273506
where:
bonds (distance) C4'-P energy: -43.888
bonds (distance) P-C4' energy: -51.090
flat angles C4'-P-C4' energy: -49.867
flat angles P-C4'-P energy: -44.564
tors. eta vs tors. theta energy: -67.865
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: 8
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -569.104292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.104292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.104292 (E_RNA)
where:
Base-Base interactions energy: -356.499
where: short stacking energy: -168.017
Base-Backbone interact. energy: -1.148
local terms energy: -211.457631
where:
bonds (distance) C4'-P energy: -48.221
bonds (distance) P-C4' energy: -51.486
flat angles C4'-P-C4' energy: -48.601
flat angles P-C4'-P energy: -28.320
tors. eta vs tors. theta energy: -34.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -624.970662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.970662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.970662 (E_RNA)
where:
Base-Base interactions energy: -419.441
where: short stacking energy: -184.259
Base-Backbone interact. energy: -0.328
local terms energy: -205.201994
where:
bonds (distance) C4'-P energy: -39.418
bonds (distance) P-C4' energy: -50.977
flat angles C4'-P-C4' energy: -45.666
flat angles P-C4'-P energy: -25.016
tors. eta vs tors. theta energy: -44.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -546.794925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.794925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.794925 (E_RNA)
where:
Base-Base interactions energy: -334.259
where: short stacking energy: -149.836
Base-Backbone interact. energy: -0.239
local terms energy: -212.297588
where:
bonds (distance) C4'-P energy: -39.500
bonds (distance) P-C4' energy: -54.887
flat angles C4'-P-C4' energy: -45.859
flat angles P-C4'-P energy: -30.155
tors. eta vs tors. theta energy: -41.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -416.270212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.270212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.270212 (E_RNA)
where:
Base-Base interactions energy: -263.785
where: short stacking energy: -110.981
Base-Backbone interact. energy: -0.637
local terms energy: -151.848187
where:
bonds (distance) C4'-P energy: -46.908
bonds (distance) P-C4' energy: -31.821
flat angles C4'-P-C4' energy: -39.607
flat angles P-C4'-P energy: -23.256
tors. eta vs tors. theta energy: -10.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -349.389323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.389323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.389323 (E_RNA)
where:
Base-Base interactions energy: -181.387
where: short stacking energy: -92.485
Base-Backbone interact. energy: -0.262
local terms energy: -167.739990
where:
bonds (distance) C4'-P energy: -44.806
bonds (distance) P-C4' energy: -42.433
flat angles C4'-P-C4' energy: -39.907
flat angles P-C4'-P energy: -26.725
tors. eta vs tors. theta energy: -13.868
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: 24
Temperature: 1.300000
Total energy: -286.841119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.841119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.841119 (E_RNA)
where:
Base-Base interactions energy: -133.978
where: short stacking energy: -84.757
Base-Backbone interact. energy: -0.645
local terms energy: -152.218589
where:
bonds (distance) C4'-P energy: -35.556
bonds (distance) P-C4' energy: -42.373
flat angles C4'-P-C4' energy: -38.816
flat angles P-C4'-P energy: -29.553
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -244.301342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.301342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.301342 (E_RNA)
where:
Base-Base interactions energy: -106.695
where: short stacking energy: -74.374
Base-Backbone interact. energy: 1.583
local terms energy: -139.189321
where:
bonds (distance) C4'-P energy: -42.591
bonds (distance) P-C4' energy: -46.413
flat angles C4'-P-C4' energy: -37.952
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: 0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -776.621779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.621779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.621779 (E_RNA)
where:
Base-Base interactions energy: -511.067
where: short stacking energy: -250.411
Base-Backbone interact. energy: -0.374
local terms energy: -265.180205
where:
bonds (distance) C4'-P energy: -54.089
bonds (distance) P-C4' energy: -47.714
flat angles C4'-P-C4' energy: -54.952
flat angles P-C4'-P energy: -34.657
tors. eta vs tors. theta energy: -73.769
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: 9
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -734.842329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.842329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.842329 (E_RNA)
where:
Base-Base interactions energy: -490.996
where: short stacking energy: -232.758
Base-Backbone interact. energy: -1.019
local terms energy: -242.827896
where:
bonds (distance) C4'-P energy: -40.101
bonds (distance) P-C4' energy: -56.161
flat angles C4'-P-C4' energy: -46.790
flat angles P-C4'-P energy: -39.493
tors. eta vs tors. theta energy: -60.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -715.066692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.066692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.066692 (E_RNA)
where:
Base-Base interactions energy: -469.836
where: short stacking energy: -220.365
Base-Backbone interact. energy: -4.216
local terms energy: -241.014486
where:
bonds (distance) C4'-P energy: -49.645
bonds (distance) P-C4' energy: -42.919
flat angles C4'-P-C4' energy: -44.386
flat angles P-C4'-P energy: -39.830
tors. eta vs tors. theta energy: -64.234
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: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -657.904500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.904500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.904500 (E_RNA)
where:
Base-Base interactions energy: -440.748
where: short stacking energy: -188.531
Base-Backbone interact. energy: -0.306
local terms energy: -216.850334
where:
bonds (distance) C4'-P energy: -48.646
bonds (distance) P-C4' energy: -45.558
flat angles C4'-P-C4' energy: -51.701
flat angles P-C4'-P energy: -21.640
tors. eta vs tors. theta energy: -49.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -531.569515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.569515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.569515 (E_RNA)
where:
Base-Base interactions energy: -341.420
where: short stacking energy: -171.550
Base-Backbone interact. energy: -2.380
local terms energy: -187.769638
where:
bonds (distance) C4'-P energy: -37.748
bonds (distance) P-C4' energy: -43.724
flat angles C4'-P-C4' energy: -39.112
flat angles P-C4'-P energy: -31.219
tors. eta vs tors. theta energy: -35.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -562.893334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.893334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.893334 (E_RNA)
where:
Base-Base interactions energy: -361.485
where: short stacking energy: -170.204
Base-Backbone interact. energy: -1.141
local terms energy: -200.267830
where:
bonds (distance) C4'-P energy: -35.907
bonds (distance) P-C4' energy: -39.659
flat angles C4'-P-C4' energy: -51.641
flat angles P-C4'-P energy: -33.570
tors. eta vs tors. theta energy: -39.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -434.314047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.314047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.314047 (E_RNA)
where:
Base-Base interactions energy: -264.557
where: short stacking energy: -138.446
Base-Backbone interact. energy: 0.054
local terms energy: -169.811292
where:
bonds (distance) C4'-P energy: -43.570
bonds (distance) P-C4' energy: -41.797
flat angles C4'-P-C4' energy: -34.344
flat angles P-C4'-P energy: -26.354
tors. eta vs tors. theta energy: -23.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -392.476283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.476283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.476283 (E_RNA)
where:
Base-Base interactions energy: -214.940
where: short stacking energy: -109.865
Base-Backbone interact. energy: 2.176
local terms energy: -179.712120
where:
bonds (distance) C4'-P energy: -44.069
bonds (distance) P-C4' energy: -42.447
flat angles C4'-P-C4' energy: -44.247
flat angles P-C4'-P energy: -26.002
tors. eta vs tors. theta energy: -22.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -282.087623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.087623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.087623 (E_RNA)
where:
Base-Base interactions energy: -149.987
where: short stacking energy: -101.233
Base-Backbone interact. energy: 0.238
local terms energy: -132.337847
where:
bonds (distance) C4'-P energy: -41.012
bonds (distance) P-C4' energy: -36.654
flat angles C4'-P-C4' energy: -32.943
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -237.248771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.248771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.248771 (E_RNA)
where:
Base-Base interactions energy: -97.287
where: short stacking energy: -83.947
Base-Backbone interact. energy: -0.510
local terms energy: -139.451401
where:
bonds (distance) C4'-P energy: -39.652
bonds (distance) P-C4' energy: -48.050
flat angles C4'-P-C4' energy: -43.923
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: 7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -772.950170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.950170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.950170 (E_RNA)
where:
Base-Base interactions energy: -516.846
where: short stacking energy: -247.732
Base-Backbone interact. energy: -1.024
local terms energy: -255.079448
where:
bonds (distance) C4'-P energy: -51.526
bonds (distance) P-C4' energy: -49.368
flat angles C4'-P-C4' energy: -51.520
flat angles P-C4'-P energy: -33.955
tors. eta vs tors. theta energy: -68.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -760.251679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.251679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.251679 (E_RNA)
where:
Base-Base interactions energy: -504.137
where: short stacking energy: -244.778
Base-Backbone interact. energy: 0.890
local terms energy: -257.003872
where:
bonds (distance) C4'-P energy: -52.683
bonds (distance) P-C4' energy: -49.970
flat angles C4'-P-C4' energy: -53.367
flat angles P-C4'-P energy: -32.348
tors. eta vs tors. theta energy: -68.636
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: 26
Temperature: 1.000000
Total energy: -711.531282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.531282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.531282 (E_RNA)
where:
Base-Base interactions energy: -464.104
where: short stacking energy: -210.143
Base-Backbone interact. energy: -2.736
local terms energy: -244.691840
where:
bonds (distance) C4'-P energy: -49.443
bonds (distance) P-C4' energy: -50.361
flat angles C4'-P-C4' energy: -48.601
flat angles P-C4'-P energy: -34.859
tors. eta vs tors. theta energy: -61.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -663.569915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.569915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.569915 (E_RNA)
where:
Base-Base interactions energy: -434.736
where: short stacking energy: -206.671
Base-Backbone interact. energy: -2.633
local terms energy: -226.201144
where:
bonds (distance) C4'-P energy: -41.012
bonds (distance) P-C4' energy: -49.954
flat angles C4'-P-C4' energy: -49.317
flat angles P-C4'-P energy: -35.590
tors. eta vs tors. theta energy: -50.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -561.084192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.084192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.084192 (E_RNA)
where:
Base-Base interactions energy: -360.916
where: short stacking energy: -176.684
Base-Backbone interact. energy: -0.879
local terms energy: -199.288940
where:
bonds (distance) C4'-P energy: -42.328
bonds (distance) P-C4' energy: -43.878
flat angles C4'-P-C4' energy: -42.765
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -55.301
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: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -561.303558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.303558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.303558 (E_RNA)
where:
Base-Base interactions energy: -372.505
where: short stacking energy: -194.475
Base-Backbone interact. energy: -0.815
local terms energy: -187.983998
where:
bonds (distance) C4'-P energy: -36.920
bonds (distance) P-C4' energy: -43.729
flat angles C4'-P-C4' energy: -43.204
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -48.725
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: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -423.651768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.651768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.651768 (E_RNA)
where:
Base-Base interactions energy: -256.026
where: short stacking energy: -134.097
Base-Backbone interact. energy: -0.084
local terms energy: -167.541972
where:
bonds (distance) C4'-P energy: -39.443
bonds (distance) P-C4' energy: -34.942
flat angles C4'-P-C4' energy: -45.335
flat angles P-C4'-P energy: -28.425
tors. eta vs tors. theta energy: -19.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -403.366742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.366742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.366742 (E_RNA)
where:
Base-Base interactions energy: -229.179
where: short stacking energy: -108.615
Base-Backbone interact. energy: -0.904
local terms energy: -173.284004
where:
bonds (distance) C4'-P energy: -41.970
bonds (distance) P-C4' energy: -33.781
flat angles C4'-P-C4' energy: -46.832
flat angles P-C4'-P energy: -29.684
tors. eta vs tors. theta energy: -21.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -256.677502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.677502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.677502 (E_RNA)
where:
Base-Base interactions energy: -121.963
where: short stacking energy: -75.316
Base-Backbone interact. energy: 0.309
local terms energy: -135.022985
where:
bonds (distance) C4'-P energy: -37.115
bonds (distance) P-C4' energy: -37.823
flat angles C4'-P-C4' energy: -40.732
flat angles P-C4'-P energy: -22.929
tors. eta vs tors. theta energy: 3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -213.694950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.694950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.694950 (E_RNA)
where:
Base-Base interactions energy: -74.970
where: short stacking energy: -65.685
Base-Backbone interact. energy: 4.142
local terms energy: -142.867616
where:
bonds (distance) C4'-P energy: -39.035
bonds (distance) P-C4' energy: -41.419
flat angles C4'-P-C4' energy: -46.043
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: 0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -800.086238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.086238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.086238 (E_RNA)
where:
Base-Base interactions energy: -534.261
where: short stacking energy: -258.926
Base-Backbone interact. energy: -1.403
local terms energy: -264.421726
where:
bonds (distance) C4'-P energy: -44.761
bonds (distance) P-C4' energy: -43.936
flat angles C4'-P-C4' energy: -60.835
flat angles P-C4'-P energy: -38.168
tors. eta vs tors. theta energy: -76.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -748.259625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.259625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.259625 (E_RNA)
where:
Base-Base interactions energy: -498.453
where: short stacking energy: -240.200
Base-Backbone interact. energy: -1.280
local terms energy: -248.526562
where:
bonds (distance) C4'-P energy: -50.558
bonds (distance) P-C4' energy: -49.189
flat angles C4'-P-C4' energy: -48.025
flat angles P-C4'-P energy: -35.258
tors. eta vs tors. theta energy: -65.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -706.259414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.259414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.259414 (E_RNA)
where:
Base-Base interactions energy: -472.692
where: short stacking energy: -220.190
Base-Backbone interact. energy: -0.700
local terms energy: -232.867039
where:
bonds (distance) C4'-P energy: -46.405
bonds (distance) P-C4' energy: -46.064
flat angles C4'-P-C4' energy: -52.544
flat angles P-C4'-P energy: -29.118
tors. eta vs tors. theta energy: -58.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -645.721944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.721944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.721944 (E_RNA)
where:
Base-Base interactions energy: -427.842
where: short stacking energy: -202.276
Base-Backbone interact. energy: -0.694
local terms energy: -217.185937
where:
bonds (distance) C4'-P energy: -49.106
bonds (distance) P-C4' energy: -37.462
flat angles C4'-P-C4' energy: -55.478
flat angles P-C4'-P energy: -29.114
tors. eta vs tors. theta energy: -46.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -615.501024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.501024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.501024 (E_RNA)
where:
Base-Base interactions energy: -401.840
where: short stacking energy: -168.418
Base-Backbone interact. energy: -2.833
local terms energy: -210.828017
where:
bonds (distance) C4'-P energy: -44.026
bonds (distance) P-C4' energy: -53.839
flat angles C4'-P-C4' energy: -40.643
flat angles P-C4'-P energy: -38.476
tors. eta vs tors. theta energy: -33.843
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: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -516.828843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.828843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.828843 (E_RNA)
where:
Base-Base interactions energy: -318.108
where: short stacking energy: -167.503
Base-Backbone interact. energy: 1.269
local terms energy: -199.990429
where:
bonds (distance) C4'-P energy: -37.563
bonds (distance) P-C4' energy: -45.637
flat angles C4'-P-C4' energy: -46.051
flat angles P-C4'-P energy: -29.935
tors. eta vs tors. theta energy: -40.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -444.443691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.443691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.443691 (E_RNA)
where:
Base-Base interactions energy: -280.113
where: short stacking energy: -139.059
Base-Backbone interact. energy: 3.292
local terms energy: -167.622642
where:
bonds (distance) C4'-P energy: -40.841
bonds (distance) P-C4' energy: -36.511
flat angles C4'-P-C4' energy: -39.634
flat angles P-C4'-P energy: -23.880
tors. eta vs tors. theta energy: -26.757
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: 8, replica: 2
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -457.777316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.777316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.777316 (E_RNA)
where:
Base-Base interactions energy: -276.863
where: short stacking energy: -132.546
Base-Backbone interact. energy: -0.037
local terms energy: -180.876785
where:
bonds (distance) C4'-P energy: -34.800
bonds (distance) P-C4' energy: -43.773
flat angles C4'-P-C4' energy: -43.840
flat angles P-C4'-P energy: -25.595
tors. eta vs tors. theta energy: -32.868
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: 27
Temperature: 1.300000
Total energy: -313.924359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.924359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.924359 (E_RNA)
where:
Base-Base interactions energy: -159.361
where: short stacking energy: -102.712
Base-Backbone interact. energy: -0.966
local terms energy: -153.597361
where:
bonds (distance) C4'-P energy: -31.899
bonds (distance) P-C4' energy: -53.617
flat angles C4'-P-C4' energy: -28.951
flat angles P-C4'-P energy: -22.753
tors. eta vs tors. theta energy: -16.378
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: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -246.771809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.771809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.771809 (E_RNA)
where:
Base-Base interactions energy: -99.881
where: short stacking energy: -94.220
Base-Backbone interact. energy: 0.481
local terms energy: -147.372219
where:
bonds (distance) C4'-P energy: -40.939
bonds (distance) P-C4' energy: -42.608
flat angles C4'-P-C4' energy: -34.424
flat angles P-C4'-P energy: -19.582
tors. eta vs tors. theta energy: -9.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -772.302520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.302520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.302520 (E_RNA)
where:
Base-Base interactions energy: -523.007
where: short stacking energy: -249.375
Base-Backbone interact. energy: 0.840
local terms energy: -250.136236
where:
bonds (distance) C4'-P energy: -46.619
bonds (distance) P-C4' energy: -48.865
flat angles C4'-P-C4' energy: -46.225
flat angles P-C4'-P energy: -38.926
tors. eta vs tors. theta energy: -69.502
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: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -783.566413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.566413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.566413 (E_RNA)
where:
Base-Base interactions energy: -530.028
where: short stacking energy: -253.062
Base-Backbone interact. energy: -0.043
local terms energy: -253.494746
where:
bonds (distance) C4'-P energy: -40.972
bonds (distance) P-C4' energy: -49.290
flat angles C4'-P-C4' energy: -54.427
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -72.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -649.807509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.807509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.807509 (E_RNA)
where:
Base-Base interactions energy: -423.799
where: short stacking energy: -193.531
Base-Backbone interact. energy: -3.707
local terms energy: -222.301468
where:
bonds (distance) C4'-P energy: -41.841
bonds (distance) P-C4' energy: -50.843
flat angles C4'-P-C4' energy: -56.261
flat angles P-C4'-P energy: -28.505
tors. eta vs tors. theta energy: -44.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -700.827467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.827467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.827467 (E_RNA)
where:
Base-Base interactions energy: -468.147
where: short stacking energy: -198.946
Base-Backbone interact. energy: -0.833
local terms energy: -231.847131
where:
bonds (distance) C4'-P energy: -38.401
bonds (distance) P-C4' energy: -50.157
flat angles C4'-P-C4' energy: -51.770
flat angles P-C4'-P energy: -33.692
tors. eta vs tors. theta energy: -57.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -607.272360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.272360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.272360 (E_RNA)
where:
Base-Base interactions energy: -402.328
where: short stacking energy: -178.218
Base-Backbone interact. energy: -1.003
local terms energy: -203.941006
where:
bonds (distance) C4'-P energy: -43.612
bonds (distance) P-C4' energy: -40.679
flat angles C4'-P-C4' energy: -44.918
flat angles P-C4'-P energy: -28.847
tors. eta vs tors. theta energy: -45.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -523.607201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.607201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.607201 (E_RNA)
where:
Base-Base interactions energy: -323.043
where: short stacking energy: -153.896
Base-Backbone interact. energy: 0.874
local terms energy: -201.438326
where:
bonds (distance) C4'-P energy: -45.326
bonds (distance) P-C4' energy: -36.460
flat angles C4'-P-C4' energy: -44.393
flat angles P-C4'-P energy: -34.457
tors. eta vs tors. theta energy: -40.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -504.261471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.261471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.261471 (E_RNA)
where:
Base-Base interactions energy: -307.318
where: short stacking energy: -146.103
Base-Backbone interact. energy: -1.403
local terms energy: -195.540105
where:
bonds (distance) C4'-P energy: -44.115
bonds (distance) P-C4' energy: -40.459
flat angles C4'-P-C4' energy: -49.903
flat angles P-C4'-P energy: -26.152
tors. eta vs tors. theta energy: -34.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -425.500818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.500818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.500818 (E_RNA)
where:
Base-Base interactions energy: -235.635
where: short stacking energy: -117.402
Base-Backbone interact. energy: -0.578
local terms energy: -189.287795
where:
bonds (distance) C4'-P energy: -43.297
bonds (distance) P-C4' energy: -50.461
flat angles C4'-P-C4' energy: -42.943
flat angles P-C4'-P energy: -32.796
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -298.293786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.293786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.293786 (E_RNA)
where:
Base-Base interactions energy: -134.387
where: short stacking energy: -89.638
Base-Backbone interact. energy: 2.268
local terms energy: -166.175071
where:
bonds (distance) C4'-P energy: -46.453
bonds (distance) P-C4' energy: -44.343
flat angles C4'-P-C4' energy: -38.239
flat angles P-C4'-P energy: -30.151
tors. eta vs tors. theta energy: -6.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -253.991346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.991346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.991346 (E_RNA)
where:
Base-Base interactions energy: -110.890
where: short stacking energy: -66.447
Base-Backbone interact. energy: 0.282
local terms energy: -143.382923
where:
bonds (distance) C4'-P energy: -38.780
bonds (distance) P-C4' energy: -44.423
flat angles C4'-P-C4' energy: -31.383
flat angles P-C4'-P energy: -29.758
tors. eta vs tors. theta energy: 0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -793.744502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.744502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.744502 (E_RNA)
where:
Base-Base interactions energy: -518.763
where: short stacking energy: -265.420
Base-Backbone interact. energy: -1.428
local terms energy: -273.553443
where:
bonds (distance) C4'-P energy: -45.380
bonds (distance) P-C4' energy: -51.089
flat angles C4'-P-C4' energy: -57.800
flat angles P-C4'-P energy: -38.136
tors. eta vs tors. theta energy: -81.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -801.770735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.770735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.770735 (E_RNA)
where:
Base-Base interactions energy: -535.463
where: short stacking energy: -266.276
Base-Backbone interact. energy: -0.478
local terms energy: -265.829572
where:
bonds (distance) C4'-P energy: -47.775
bonds (distance) P-C4' energy: -49.428
flat angles C4'-P-C4' energy: -50.889
flat angles P-C4'-P energy: -40.173
tors. eta vs tors. theta energy: -77.565
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: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -700.918144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.918144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.918144 (E_RNA)
where:
Base-Base interactions energy: -472.554
where: short stacking energy: -208.244
Base-Backbone interact. energy: 1.642
local terms energy: -230.006321
where:
bonds (distance) C4'-P energy: -44.195
bonds (distance) P-C4' energy: -49.752
flat angles C4'-P-C4' energy: -58.422
flat angles P-C4'-P energy: -34.521
tors. eta vs tors. theta energy: -43.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -669.083522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.083522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.083522 (E_RNA)
where:
Base-Base interactions energy: -436.159
where: short stacking energy: -204.936
Base-Backbone interact. energy: -0.499
local terms energy: -232.425695
where:
bonds (distance) C4'-P energy: -50.531
bonds (distance) P-C4' energy: -49.203
flat angles C4'-P-C4' energy: -50.505
flat angles P-C4'-P energy: -27.255
tors. eta vs tors. theta energy: -54.932
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: 3
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -637.379771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.379771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.379771 (E_RNA)
where:
Base-Base interactions energy: -421.552
where: short stacking energy: -190.813
Base-Backbone interact. energy: -0.862
local terms energy: -214.965855
where:
bonds (distance) C4'-P energy: -42.603
bonds (distance) P-C4' energy: -45.721
flat angles C4'-P-C4' energy: -42.654
flat angles P-C4'-P energy: -36.307
tors. eta vs tors. theta energy: -47.681
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: 29
Temperature: 1.150000
Total energy: -500.201537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.201537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.201537 (E_RNA)
where:
Base-Base interactions energy: -297.530
where: short stacking energy: -140.664
Base-Backbone interact. energy: -1.463
local terms energy: -201.208916
where:
bonds (distance) C4'-P energy: -39.646
bonds (distance) P-C4' energy: -50.764
flat angles C4'-P-C4' energy: -45.114
flat angles P-C4'-P energy: -31.535
tors. eta vs tors. theta energy: -34.149
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: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -503.267058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.267058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.267058 (E_RNA)
where:
Base-Base interactions energy: -330.497
where: short stacking energy: -162.327
Base-Backbone interact. energy: -3.009
local terms energy: -169.760821
where:
bonds (distance) C4'-P energy: -40.030
bonds (distance) P-C4' energy: -34.189
flat angles C4'-P-C4' energy: -37.409
flat angles P-C4'-P energy: -23.240
tors. eta vs tors. theta energy: -34.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -447.868366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.868366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.868366 (E_RNA)
where:
Base-Base interactions energy: -275.484
where: short stacking energy: -138.401
Base-Backbone interact. energy: -0.765
local terms energy: -171.619727
where:
bonds (distance) C4'-P energy: -50.425
bonds (distance) P-C4' energy: -34.613
flat angles C4'-P-C4' energy: -40.834
flat angles P-C4'-P energy: -23.152
tors. eta vs tors. theta energy: -22.596
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: 9, replica: 5
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -331.019252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.019252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.019252 (E_RNA)
where:
Base-Base interactions energy: -177.311
where: short stacking energy: -110.027
Base-Backbone interact. energy: 0.819
local terms energy: -154.528087
where:
bonds (distance) C4'-P energy: -41.648
bonds (distance) P-C4' energy: -41.329
flat angles C4'-P-C4' energy: -32.034
flat angles P-C4'-P energy: -18.157
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: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -234.020892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.020892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.020892 (E_RNA)
where:
Base-Base interactions energy: -87.829
where: short stacking energy: -67.041
Base-Backbone interact. energy: 4.832
local terms energy: -151.024078
where:
bonds (distance) C4'-P energy: -43.358
bonds (distance) P-C4' energy: -43.729
flat angles C4'-P-C4' energy: -50.333
flat angles P-C4'-P energy: -18.316
tors. eta vs tors. theta energy: 4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -807.089142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.089142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.089142 (E_RNA)
where:
Base-Base interactions energy: -548.309
where: short stacking energy: -270.188
Base-Backbone interact. energy: -0.481
local terms energy: -258.299355
where:
bonds (distance) C4'-P energy: -48.594
bonds (distance) P-C4' energy: -45.926
flat angles C4'-P-C4' energy: -54.592
flat angles P-C4'-P energy: -31.276
tors. eta vs tors. theta energy: -77.912
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: 9
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -762.970322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.970322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.970322 (E_RNA)
where:
Base-Base interactions energy: -490.287
where: short stacking energy: -236.781
Base-Backbone interact. energy: 1.645
local terms energy: -274.328762
where:
bonds (distance) C4'-P energy: -53.564
bonds (distance) P-C4' energy: -44.452
flat angles C4'-P-C4' energy: -57.023
flat angles P-C4'-P energy: -39.986
tors. eta vs tors. theta energy: -79.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -687.099883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.099883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.099883 (E_RNA)
where:
Base-Base interactions energy: -454.796
where: short stacking energy: -211.651
Base-Backbone interact. energy: -1.886
local terms energy: -230.417554
where:
bonds (distance) C4'-P energy: -40.881
bonds (distance) P-C4' energy: -55.845
flat angles C4'-P-C4' energy: -52.429
flat angles P-C4'-P energy: -34.353
tors. eta vs tors. theta energy: -46.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -649.878299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.878299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.878299 (E_RNA)
where:
Base-Base interactions energy: -436.652
where: short stacking energy: -185.020
Base-Backbone interact. energy: -0.503
local terms energy: -212.722430
where:
bonds (distance) C4'-P energy: -39.355
bonds (distance) P-C4' energy: -42.701
flat angles C4'-P-C4' energy: -51.748
flat angles P-C4'-P energy: -30.079
tors. eta vs tors. theta energy: -48.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -633.236434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.236434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.236434 (E_RNA)
where:
Base-Base interactions energy: -419.172
where: short stacking energy: -177.928
Base-Backbone interact. energy: -3.540
local terms energy: -210.524679
where:
bonds (distance) C4'-P energy: -40.265
bonds (distance) P-C4' energy: -48.479
flat angles C4'-P-C4' energy: -43.716
flat angles P-C4'-P energy: -31.356
tors. eta vs tors. theta energy: -46.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -436.975327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.975327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.975327 (E_RNA)
where:
Base-Base interactions energy: -246.173
where: short stacking energy: -128.888
Base-Backbone interact. energy: -0.435
local terms energy: -190.368024
where:
bonds (distance) C4'-P energy: -41.955
bonds (distance) P-C4' energy: -48.048
flat angles C4'-P-C4' energy: -46.565
flat angles P-C4'-P energy: -27.348
tors. eta vs tors. theta energy: -26.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -406.709600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.709600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.709600 (E_RNA)
where:
Base-Base interactions energy: -241.595
where: short stacking energy: -125.864
Base-Backbone interact. energy: 0.326
local terms energy: -165.439671
where:
bonds (distance) C4'-P energy: -41.793
bonds (distance) P-C4' energy: -43.263
flat angles C4'-P-C4' energy: -41.819
flat angles P-C4'-P energy: -18.656
tors. eta vs tors. theta energy: -19.908
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: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -463.382462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.382462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.382462 (E_RNA)
where:
Base-Base interactions energy: -302.813
where: short stacking energy: -133.506
Base-Backbone interact. energy: -1.869
local terms energy: -158.699735
where:
bonds (distance) C4'-P energy: -27.955
bonds (distance) P-C4' energy: -45.105
flat angles C4'-P-C4' energy: -28.731
flat angles P-C4'-P energy: -26.680
tors. eta vs tors. theta energy: -30.228
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: 9, replica: 5
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -335.515386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.515386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.515386 (E_RNA)
where:
Base-Base interactions energy: -158.604
where: short stacking energy: -95.552
Base-Backbone interact. energy: -0.537
local terms energy: -176.374113
where:
bonds (distance) C4'-P energy: -48.453
bonds (distance) P-C4' energy: -46.728
flat angles C4'-P-C4' energy: -44.038
flat angles P-C4'-P energy: -24.353
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: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -232.172290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.172290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.172290 (E_RNA)
where:
Base-Base interactions energy: -89.605
where: short stacking energy: -81.962
Base-Backbone interact. energy: -0.841
local terms energy: -141.727017
where:
bonds (distance) C4'-P energy: -26.184
bonds (distance) P-C4' energy: -44.212
flat angles C4'-P-C4' energy: -49.561
flat angles P-C4'-P energy: -20.385
tors. eta vs tors. theta energy: -1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -818.065336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.065336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.065336 (E_RNA)
where:
Base-Base interactions energy: -556.397
where: short stacking energy: -273.804
Base-Backbone interact. energy: -0.491
local terms energy: -261.177774
where:
bonds (distance) C4'-P energy: -48.191
bonds (distance) P-C4' energy: -59.155
flat angles C4'-P-C4' energy: -53.172
flat angles P-C4'-P energy: -27.976
tors. eta vs tors. theta energy: -72.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -780.025752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.025752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.025752 (E_RNA)
where:
Base-Base interactions energy: -505.714
where: short stacking energy: -259.139
Base-Backbone interact. energy: -0.103
local terms energy: -274.208808
where:
bonds (distance) C4'-P energy: -43.639
bonds (distance) P-C4' energy: -49.855
flat angles C4'-P-C4' energy: -53.473
flat angles P-C4'-P energy: -45.663
tors. eta vs tors. theta energy: -81.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -691.848448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.848448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.848448 (E_RNA)
where:
Base-Base interactions energy: -461.479
where: short stacking energy: -218.025
Base-Backbone interact. energy: -1.690
local terms energy: -228.679844
where:
bonds (distance) C4'-P energy: -52.304
bonds (distance) P-C4' energy: -42.167
flat angles C4'-P-C4' energy: -43.609
flat angles P-C4'-P energy: -35.668
tors. eta vs tors. theta energy: -54.933
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: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -653.740395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.740395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.740395 (E_RNA)
where:
Base-Base interactions energy: -457.824
where: short stacking energy: -177.236
Base-Backbone interact. energy: -0.744
local terms energy: -195.172401
where:
bonds (distance) C4'-P energy: -29.269
bonds (distance) P-C4' energy: -45.644
flat angles C4'-P-C4' energy: -48.453
flat angles P-C4'-P energy: -29.651
tors. eta vs tors. theta energy: -42.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -608.582312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.582312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.582312 (E_RNA)
where:
Base-Base interactions energy: -386.355
where: short stacking energy: -181.031
Base-Backbone interact. energy: -0.729
local terms energy: -221.498989
where:
bonds (distance) C4'-P energy: -46.110
bonds (distance) P-C4' energy: -51.521
flat angles C4'-P-C4' energy: -47.675
flat angles P-C4'-P energy: -33.604
tors. eta vs tors. theta energy: -42.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -497.235600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.235600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.235600 (E_RNA)
where:
Base-Base interactions energy: -300.832
where: short stacking energy: -152.358
Base-Backbone interact. energy: -1.186
local terms energy: -195.217441
where:
bonds (distance) C4'-P energy: -39.783
bonds (distance) P-C4' energy: -41.763
flat angles C4'-P-C4' energy: -45.325
flat angles P-C4'-P energy: -28.792
tors. eta vs tors. theta energy: -39.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -374.406678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.406678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.406678 (E_RNA)
where:
Base-Base interactions energy: -221.631
where: short stacking energy: -127.932
Base-Backbone interact. energy: 0.557
local terms energy: -153.332575
where:
bonds (distance) C4'-P energy: -29.069
bonds (distance) P-C4' energy: -39.821
flat angles C4'-P-C4' energy: -40.678
flat angles P-C4'-P energy: -27.424
tors. eta vs tors. theta energy: -16.341
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: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -504.954483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.954483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.954483 (E_RNA)
where:
Base-Base interactions energy: -321.344
where: short stacking energy: -145.084
Base-Backbone interact. energy: -2.772
local terms energy: -180.838903
where:
bonds (distance) C4'-P energy: -46.395
bonds (distance) P-C4' energy: -41.093
flat angles C4'-P-C4' energy: -41.020
flat angles P-C4'-P energy: -28.061
tors. eta vs tors. theta energy: -24.270
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: 5
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -366.293274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.293274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.293274 (E_RNA)
where:
Base-Base interactions energy: -194.748
where: short stacking energy: -106.676
Base-Backbone interact. energy: -1.055
local terms energy: -170.490426
where:
bonds (distance) C4'-P energy: -47.284
bonds (distance) P-C4' energy: -35.630
flat angles C4'-P-C4' energy: -38.004
flat angles P-C4'-P energy: -29.120
tors. eta vs tors. theta energy: -20.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -222.581353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.581353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.581353 (E_RNA)
where:
Base-Base interactions energy: -101.950
where: short stacking energy: -83.224
Base-Backbone interact. energy: -1.429
local terms energy: -119.202431
where:
bonds (distance) C4'-P energy: -44.396
bonds (distance) P-C4' energy: -30.055
flat angles C4'-P-C4' energy: -41.880
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: 5.802
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: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -808.382401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.382401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.382401 (E_RNA)
where:
Base-Base interactions energy: -550.863
where: short stacking energy: -247.289
Base-Backbone interact. energy: 0.477
local terms energy: -257.997045
where:
bonds (distance) C4'-P energy: -44.670
bonds (distance) P-C4' energy: -45.482
flat angles C4'-P-C4' energy: -59.130
flat angles P-C4'-P energy: -37.511
tors. eta vs tors. theta energy: -71.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -757.236661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.236661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.236661 (E_RNA)
where:
Base-Base interactions energy: -493.331
where: short stacking energy: -250.342
Base-Backbone interact. energy: -1.307
local terms energy: -262.598166
where:
bonds (distance) C4'-P energy: -38.461
bonds (distance) P-C4' energy: -49.160
flat angles C4'-P-C4' energy: -57.175
flat angles P-C4'-P energy: -39.219
tors. eta vs tors. theta energy: -78.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -697.806939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.806939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.806939 (E_RNA)
where:
Base-Base interactions energy: -466.550
where: short stacking energy: -231.251
Base-Backbone interact. energy: 0.392
local terms energy: -231.649343
where:
bonds (distance) C4'-P energy: -44.504
bonds (distance) P-C4' energy: -44.588
flat angles C4'-P-C4' energy: -52.546
flat angles P-C4'-P energy: -31.709
tors. eta vs tors. theta energy: -58.303
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: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -667.525903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.525903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.525903 (E_RNA)
where:
Base-Base interactions energy: -444.063
where: short stacking energy: -169.099
Base-Backbone interact. energy: 0.051
local terms energy: -223.514506
where:
bonds (distance) C4'-P energy: -45.578
bonds (distance) P-C4' energy: -58.166
flat angles C4'-P-C4' energy: -46.048
flat angles P-C4'-P energy: -31.245
tors. eta vs tors. theta energy: -42.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -606.986130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.986130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.986130 (E_RNA)
where:
Base-Base interactions energy: -402.675
where: short stacking energy: -195.059
Base-Backbone interact. energy: -1.575
local terms energy: -202.735955
where:
bonds (distance) C4'-P energy: -31.211
bonds (distance) P-C4' energy: -38.096
flat angles C4'-P-C4' energy: -51.349
flat angles P-C4'-P energy: -32.336
tors. eta vs tors. theta energy: -49.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -491.444379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.444379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.444379 (E_RNA)
where:
Base-Base interactions energy: -296.096
where: short stacking energy: -143.662
Base-Backbone interact. energy: -0.965
local terms energy: -194.383056
where:
bonds (distance) C4'-P energy: -45.706
bonds (distance) P-C4' energy: -47.508
flat angles C4'-P-C4' energy: -40.076
flat angles P-C4'-P energy: -31.352
tors. eta vs tors. theta energy: -29.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -546.134280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.134280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.134280 (E_RNA)
where:
Base-Base interactions energy: -352.457
where: short stacking energy: -158.700
Base-Backbone interact. energy: 0.432
local terms energy: -194.109466
where:
bonds (distance) C4'-P energy: -43.493
bonds (distance) P-C4' energy: -42.553
flat angles C4'-P-C4' energy: -44.698
flat angles P-C4'-P energy: -27.835
tors. eta vs tors. theta energy: -35.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -399.162351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.162351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.162351 (E_RNA)
where:
Base-Base interactions energy: -252.770
where: short stacking energy: -132.388
Base-Backbone interact. energy: 0.125
local terms energy: -146.517216
where:
bonds (distance) C4'-P energy: -41.654
bonds (distance) P-C4' energy: -35.236
flat angles C4'-P-C4' energy: -31.389
flat angles P-C4'-P energy: -22.435
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -305.901040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.901040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.901040 (E_RNA)
where:
Base-Base interactions energy: -165.073
where: short stacking energy: -68.848
Base-Backbone interact. energy: -0.365
local terms energy: -140.462917
where:
bonds (distance) C4'-P energy: -49.836
bonds (distance) P-C4' energy: -46.457
flat angles C4'-P-C4' energy: -40.675
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: 5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -240.967163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.967163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.967163 (E_RNA)
where:
Base-Base interactions energy: -102.240
where: short stacking energy: -71.022
Base-Backbone interact. energy: -0.226
local terms energy: -138.501119
where:
bonds (distance) C4'-P energy: -33.209
bonds (distance) P-C4' energy: -48.648
flat angles C4'-P-C4' energy: -40.160
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -1.488
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: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -810.818998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.818998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.818998 (E_RNA)
where:
Base-Base interactions energy: -547.369
where: short stacking energy: -248.075
Base-Backbone interact. energy: -0.250
local terms energy: -263.199947
where:
bonds (distance) C4'-P energy: -51.710
bonds (distance) P-C4' energy: -46.962
flat angles C4'-P-C4' energy: -53.996
flat angles P-C4'-P energy: -34.851
tors. eta vs tors. theta energy: -75.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -764.054580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.054580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.054580 (E_RNA)
where:
Base-Base interactions energy: -498.881
where: short stacking energy: -264.888
Base-Backbone interact. energy: 1.618
local terms energy: -266.791789
where:
bonds (distance) C4'-P energy: -48.642
bonds (distance) P-C4' energy: -44.374
flat angles C4'-P-C4' energy: -52.185
flat angles P-C4'-P energy: -41.899
tors. eta vs tors. theta energy: -79.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -709.192779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.192779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.192779 (E_RNA)
where:
Base-Base interactions energy: -461.456
where: short stacking energy: -214.903
Base-Backbone interact. energy: 0.950
local terms energy: -248.686684
where:
bonds (distance) C4'-P energy: -45.050
bonds (distance) P-C4' energy: -51.760
flat angles C4'-P-C4' energy: -51.623
flat angles P-C4'-P energy: -41.903
tors. eta vs tors. theta energy: -58.351
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: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -627.269268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.269268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.269268 (E_RNA)
where:
Base-Base interactions energy: -391.720
where: short stacking energy: -191.014
Base-Backbone interact. energy: -0.867
local terms energy: -234.683125
where:
bonds (distance) C4'-P energy: -46.637
bonds (distance) P-C4' energy: -48.224
flat angles C4'-P-C4' energy: -53.160
flat angles P-C4'-P energy: -29.897
tors. eta vs tors. theta energy: -56.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -646.060797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.060797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.060797 (E_RNA)
where:
Base-Base interactions energy: -433.715
where: short stacking energy: -186.258
Base-Backbone interact. energy: -0.452
local terms energy: -211.894256
where:
bonds (distance) C4'-P energy: -37.953
bonds (distance) P-C4' energy: -50.145
flat angles C4'-P-C4' energy: -51.684
flat angles P-C4'-P energy: -31.181
tors. eta vs tors. theta energy: -40.932
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: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -569.629176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.629176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.629176 (E_RNA)
where:
Base-Base interactions energy: -394.846
where: short stacking energy: -170.597
Base-Backbone interact. energy: 3.775
local terms energy: -178.558794
where:
bonds (distance) C4'-P energy: -34.529
bonds (distance) P-C4' energy: -33.260
flat angles C4'-P-C4' energy: -44.948
flat angles P-C4'-P energy: -36.712
tors. eta vs tors. theta energy: -29.110
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: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -526.106868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.106868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.106868 (E_RNA)
where:
Base-Base interactions energy: -328.840
where: short stacking energy: -151.652
Base-Backbone interact. energy: -0.994
local terms energy: -196.273151
where:
bonds (distance) C4'-P energy: -39.594
bonds (distance) P-C4' energy: -50.442
flat angles C4'-P-C4' energy: -39.788
flat angles P-C4'-P energy: -24.629
tors. eta vs tors. theta energy: -41.820
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: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -404.312131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.312131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.312131 (E_RNA)
where:
Base-Base interactions energy: -237.364
where: short stacking energy: -123.716
Base-Backbone interact. energy: -0.981
local terms energy: -165.967009
where:
bonds (distance) C4'-P energy: -38.734
bonds (distance) P-C4' energy: -46.596
flat angles C4'-P-C4' energy: -38.120
flat angles P-C4'-P energy: -19.434
tors. eta vs tors. theta energy: -23.084
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: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -327.268192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.268192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.268192 (E_RNA)
where:
Base-Base interactions energy: -164.688
where: short stacking energy: -99.184
Base-Backbone interact. energy: 4.082
local terms energy: -166.662754
where:
bonds (distance) C4'-P energy: -31.116
bonds (distance) P-C4' energy: -39.336
flat angles C4'-P-C4' energy: -44.976
flat angles P-C4'-P energy: -26.244
tors. eta vs tors. theta energy: -24.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -207.995830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.995830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.995830 (E_RNA)
where:
Base-Base interactions energy: -70.276
where: short stacking energy: -62.115
Base-Backbone interact. energy: -1.403
local terms energy: -136.317458
where:
bonds (distance) C4'-P energy: -45.103
bonds (distance) P-C4' energy: -41.735
flat angles C4'-P-C4' energy: -35.184
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: 3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -809.898537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.898537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.898537 (E_RNA)
where:
Base-Base interactions energy: -543.632
where: short stacking energy: -271.530
Base-Backbone interact. energy: -0.171
local terms energy: -266.095128
where:
bonds (distance) C4'-P energy: -45.691
bonds (distance) P-C4' energy: -50.734
flat angles C4'-P-C4' energy: -57.566
flat angles P-C4'-P energy: -38.023
tors. eta vs tors. theta energy: -74.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -749.597809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.597809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.597809 (E_RNA)
where:
Base-Base interactions energy: -485.775
where: short stacking energy: -247.422
Base-Backbone interact. energy: -0.345
local terms energy: -263.478672
where:
bonds (distance) C4'-P energy: -51.699
bonds (distance) P-C4' energy: -44.440
flat angles C4'-P-C4' energy: -55.741
flat angles P-C4'-P energy: -38.392
tors. eta vs tors. theta energy: -73.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -689.656515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.656515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.656515 (E_RNA)
where:
Base-Base interactions energy: -458.766
where: short stacking energy: -223.766
Base-Backbone interact. energy: -0.681
local terms energy: -230.209369
where:
bonds (distance) C4'-P energy: -42.009
bonds (distance) P-C4' energy: -44.519
flat angles C4'-P-C4' energy: -51.422
flat angles P-C4'-P energy: -36.328
tors. eta vs tors. theta energy: -55.931
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: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -615.348985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.348985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.348985 (E_RNA)
where:
Base-Base interactions energy: -410.693
where: short stacking energy: -181.924
Base-Backbone interact. energy: -1.223
local terms energy: -203.433487
where:
bonds (distance) C4'-P energy: -39.966
bonds (distance) P-C4' energy: -39.488
flat angles C4'-P-C4' energy: -48.983
flat angles P-C4'-P energy: -32.778
tors. eta vs tors. theta energy: -42.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -640.339082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.339082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.339082 (E_RNA)
where:
Base-Base interactions energy: -427.303
where: short stacking energy: -177.430
Base-Backbone interact. energy: -2.567
local terms energy: -210.468780
where:
bonds (distance) C4'-P energy: -47.396
bonds (distance) P-C4' energy: -45.255
flat angles C4'-P-C4' energy: -46.168
flat angles P-C4'-P energy: -29.038
tors. eta vs tors. theta energy: -42.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -579.310506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.310506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.310506 (E_RNA)
where:
Base-Base interactions energy: -382.988
where: short stacking energy: -166.449
Base-Backbone interact. energy: -0.738
local terms energy: -195.585243
where:
bonds (distance) C4'-P energy: -39.945
bonds (distance) P-C4' energy: -42.446
flat angles C4'-P-C4' energy: -52.805
flat angles P-C4'-P energy: -25.647
tors. eta vs tors. theta energy: -34.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -548.496255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.496255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.496255 (E_RNA)
where:
Base-Base interactions energy: -345.487
where: short stacking energy: -170.535
Base-Backbone interact. energy: -1.381
local terms energy: -201.628516
where:
bonds (distance) C4'-P energy: -39.510
bonds (distance) P-C4' energy: -48.317
flat angles C4'-P-C4' energy: -43.486
flat angles P-C4'-P energy: -27.462
tors. eta vs tors. theta energy: -42.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -381.670719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.670719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.670719 (E_RNA)
where:
Base-Base interactions energy: -217.976
where: short stacking energy: -117.673
Base-Backbone interact. energy: -0.625
local terms energy: -163.069726
where:
bonds (distance) C4'-P energy: -39.641
bonds (distance) P-C4' energy: -35.062
flat angles C4'-P-C4' energy: -44.968
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -308.816895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.816895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.816895 (E_RNA)
where:
Base-Base interactions energy: -171.178
where: short stacking energy: -105.795
Base-Backbone interact. energy: -0.061
local terms energy: -137.578604
where:
bonds (distance) C4'-P energy: -42.943
bonds (distance) P-C4' energy: -34.437
flat angles C4'-P-C4' energy: -32.564
flat angles P-C4'-P energy: -22.226
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -234.470857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.470857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.470857 (E_RNA)
where:
Base-Base interactions energy: -91.637
where: short stacking energy: -71.976
Base-Backbone interact. energy: -1.163
local terms energy: -141.671266
where:
bonds (distance) C4'-P energy: -40.714
bonds (distance) P-C4' energy: -46.146
flat angles C4'-P-C4' energy: -41.570
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: 3.645
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: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -803.098104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.098104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.098104 (E_RNA)
where:
Base-Base interactions energy: -543.641
where: short stacking energy: -260.457
Base-Backbone interact. energy: -0.266
local terms energy: -259.191869
where:
bonds (distance) C4'-P energy: -52.595
bonds (distance) P-C4' energy: -48.029
flat angles C4'-P-C4' energy: -53.170
flat angles P-C4'-P energy: -35.945
tors. eta vs tors. theta energy: -69.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -773.363779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.363779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.363779 (E_RNA)
where:
Base-Base interactions energy: -514.826
where: short stacking energy: -251.717
Base-Backbone interact. energy: 0.685
local terms energy: -259.222840
where:
bonds (distance) C4'-P energy: -41.922
bonds (distance) P-C4' energy: -47.677
flat angles C4'-P-C4' energy: -59.591
flat angles P-C4'-P energy: -34.809
tors. eta vs tors. theta energy: -75.224
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: 35
Temperature: 1.000000
Total energy: -697.223808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.223808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.223808 (E_RNA)
where:
Base-Base interactions energy: -456.896
where: short stacking energy: -218.968
Base-Backbone interact. energy: -1.407
local terms energy: -238.920571
where:
bonds (distance) C4'-P energy: -43.275
bonds (distance) P-C4' energy: -52.725
flat angles C4'-P-C4' energy: -52.859
flat angles P-C4'-P energy: -35.751
tors. eta vs tors. theta energy: -54.311
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: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -646.107799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.107799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.107799 (E_RNA)
where:
Base-Base interactions energy: -443.707
where: short stacking energy: -175.338
Base-Backbone interact. energy: -0.892
local terms energy: -201.508520
where:
bonds (distance) C4'-P energy: -38.031
bonds (distance) P-C4' energy: -44.429
flat angles C4'-P-C4' energy: -48.303
flat angles P-C4'-P energy: -32.305
tors. eta vs tors. theta energy: -38.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -616.324136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.324136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.324136 (E_RNA)
where:
Base-Base interactions energy: -404.904
where: short stacking energy: -187.313
Base-Backbone interact. energy: -0.595
local terms energy: -210.824941
where:
bonds (distance) C4'-P energy: -34.538
bonds (distance) P-C4' energy: -48.863
flat angles C4'-P-C4' energy: -49.093
flat angles P-C4'-P energy: -24.560
tors. eta vs tors. theta energy: -53.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -577.189322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.189322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.189322 (E_RNA)
where:
Base-Base interactions energy: -370.777
where: short stacking energy: -180.371
Base-Backbone interact. energy: 0.311
local terms energy: -206.723157
where:
bonds (distance) C4'-P energy: -38.566
bonds (distance) P-C4' energy: -42.368
flat angles C4'-P-C4' energy: -50.574
flat angles P-C4'-P energy: -29.342
tors. eta vs tors. theta energy: -45.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -557.682797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.682797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.682797 (E_RNA)
where:
Base-Base interactions energy: -358.567
where: short stacking energy: -178.691
Base-Backbone interact. energy: -1.358
local terms energy: -197.757721
where:
bonds (distance) C4'-P energy: -31.578
bonds (distance) P-C4' energy: -39.532
flat angles C4'-P-C4' energy: -39.259
flat angles P-C4'-P energy: -38.692
tors. eta vs tors. theta energy: -48.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -277.600235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.600235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.600235 (E_RNA)
where:
Base-Base interactions energy: -137.851
where: short stacking energy: -97.486
Base-Backbone interact. energy: -1.045
local terms energy: -138.704990
where:
bonds (distance) C4'-P energy: -38.685
bonds (distance) P-C4' energy: -40.673
flat angles C4'-P-C4' energy: -34.064
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -345.353300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.353300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.353300 (E_RNA)
where:
Base-Base interactions energy: -176.263
where: short stacking energy: -114.746
Base-Backbone interact. energy: -0.060
local terms energy: -169.029664
where:
bonds (distance) C4'-P energy: -45.048
bonds (distance) P-C4' energy: -40.625
flat angles C4'-P-C4' energy: -41.173
flat angles P-C4'-P energy: -23.185
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -220.523752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.523752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.523752 (E_RNA)
where:
Base-Base interactions energy: -81.949
where: short stacking energy: -70.325
Base-Backbone interact. energy: -1.891
local terms energy: -136.683804
where:
bonds (distance) C4'-P energy: -39.119
bonds (distance) P-C4' energy: -43.508
flat angles C4'-P-C4' energy: -32.169
flat angles P-C4'-P energy: -23.525
tors. eta vs tors. theta energy: 1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -807.728139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.728139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.728139 (E_RNA)
where:
Base-Base interactions energy: -548.453
where: short stacking energy: -262.712
Base-Backbone interact. energy: -1.824
local terms energy: -257.451873
where:
bonds (distance) C4'-P energy: -50.380
bonds (distance) P-C4' energy: -48.021
flat angles C4'-P-C4' energy: -52.642
flat angles P-C4'-P energy: -33.512
tors. eta vs tors. theta energy: -72.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -759.362932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.362932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.362932 (E_RNA)
where:
Base-Base interactions energy: -498.579
where: short stacking energy: -242.643
Base-Backbone interact. energy: -1.483
local terms energy: -259.300638
where:
bonds (distance) C4'-P energy: -42.297
bonds (distance) P-C4' energy: -47.161
flat angles C4'-P-C4' energy: -53.025
flat angles P-C4'-P energy: -38.747
tors. eta vs tors. theta energy: -78.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -688.701616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.701616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.701616 (E_RNA)
where:
Base-Base interactions energy: -450.644
where: short stacking energy: -205.432
Base-Backbone interact. energy: -1.774
local terms energy: -236.283698
where:
bonds (distance) C4'-P energy: -39.920
bonds (distance) P-C4' energy: -42.829
flat angles C4'-P-C4' energy: -54.748
flat angles P-C4'-P energy: -39.258
tors. eta vs tors. theta energy: -59.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -667.222198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.222198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.222198 (E_RNA)
where:
Base-Base interactions energy: -461.649
where: short stacking energy: -193.691
Base-Backbone interact. energy: -1.419
local terms energy: -204.153719
where:
bonds (distance) C4'-P energy: -37.951
bonds (distance) P-C4' energy: -49.191
flat angles C4'-P-C4' energy: -49.520
flat angles P-C4'-P energy: -26.613
tors. eta vs tors. theta energy: -40.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -600.128911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.128911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.128911 (E_RNA)
where:
Base-Base interactions energy: -394.038
where: short stacking energy: -197.701
Base-Backbone interact. energy: 0.752
local terms energy: -206.842921
where:
bonds (distance) C4'-P energy: -31.587
bonds (distance) P-C4' energy: -45.750
flat angles C4'-P-C4' energy: -39.195
flat angles P-C4'-P energy: -39.732
tors. eta vs tors. theta energy: -50.579
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: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -569.776212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.776212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.776212 (E_RNA)
where:
Base-Base interactions energy: -375.450
where: short stacking energy: -184.139
Base-Backbone interact. energy: -1.100
local terms energy: -193.225744
where:
bonds (distance) C4'-P energy: -41.336
bonds (distance) P-C4' energy: -47.022
flat angles C4'-P-C4' energy: -40.634
flat angles P-C4'-P energy: -29.746
tors. eta vs tors. theta energy: -34.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -536.339614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.339614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.339614 (E_RNA)
where:
Base-Base interactions energy: -353.812
where: short stacking energy: -167.538
Base-Backbone interact. energy: -1.843
local terms energy: -180.684558
where:
bonds (distance) C4'-P energy: -39.516
bonds (distance) P-C4' energy: -44.261
flat angles C4'-P-C4' energy: -39.117
flat angles P-C4'-P energy: -23.118
tors. eta vs tors. theta energy: -34.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -273.025824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.025824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.025824 (E_RNA)
where:
Base-Base interactions energy: -118.216
where: short stacking energy: -83.954
Base-Backbone interact. energy: -1.891
local terms energy: -152.918642
where:
bonds (distance) C4'-P energy: -35.037
bonds (distance) P-C4' energy: -46.259
flat angles C4'-P-C4' energy: -40.743
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -11.507
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: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -353.032958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.032958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.032958 (E_RNA)
where:
Base-Base interactions energy: -193.571
where: short stacking energy: -106.444
Base-Backbone interact. energy: -0.370
local terms energy: -159.091465
where:
bonds (distance) C4'-P energy: -39.172
bonds (distance) P-C4' energy: -40.063
flat angles C4'-P-C4' energy: -36.035
flat angles P-C4'-P energy: -29.160
tors. eta vs tors. theta energy: -14.661
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: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -232.614660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.614660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.614660 (E_RNA)
where:
Base-Base interactions energy: -105.395
where: short stacking energy: -66.844
Base-Backbone interact. energy: 2.377
local terms energy: -129.596256
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -41.570
flat angles C4'-P-C4' energy: -40.955
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -3.188
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: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -816.738332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.738332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.738332 (E_RNA)
where:
Base-Base interactions energy: -562.959
where: short stacking energy: -254.175
Base-Backbone interact. energy: 1.152
local terms energy: -254.931557
where:
bonds (distance) C4'-P energy: -43.830
bonds (distance) P-C4' energy: -49.836
flat angles C4'-P-C4' energy: -52.284
flat angles P-C4'-P energy: -39.320
tors. eta vs tors. theta energy: -69.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -766.277189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.277189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.277189 (E_RNA)
where:
Base-Base interactions energy: -509.309
where: short stacking energy: -241.047
Base-Backbone interact. energy: -0.594
local terms energy: -256.374297
where:
bonds (distance) C4'-P energy: -42.727
bonds (distance) P-C4' energy: -55.172
flat angles C4'-P-C4' energy: -57.385
flat angles P-C4'-P energy: -36.371
tors. eta vs tors. theta energy: -64.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -696.511863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.511863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.511863 (E_RNA)
where:
Base-Base interactions energy: -457.288
where: short stacking energy: -204.692
Base-Backbone interact. energy: -1.769
local terms energy: -237.454760
where:
bonds (distance) C4'-P energy: -44.732
bonds (distance) P-C4' energy: -53.687
flat angles C4'-P-C4' energy: -47.180
flat angles P-C4'-P energy: -35.316
tors. eta vs tors. theta energy: -56.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -660.817082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.817082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.817082 (E_RNA)
where:
Base-Base interactions energy: -448.600
where: short stacking energy: -201.605
Base-Backbone interact. energy: -1.183
local terms energy: -211.034000
where:
bonds (distance) C4'-P energy: -36.874
bonds (distance) P-C4' energy: -47.179
flat angles C4'-P-C4' energy: -49.307
flat angles P-C4'-P energy: -28.431
tors. eta vs tors. theta energy: -49.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -607.413400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.413400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.413400 (E_RNA)
where:
Base-Base interactions energy: -392.628
where: short stacking energy: -171.789
Base-Backbone interact. energy: -0.733
local terms energy: -214.052794
where:
bonds (distance) C4'-P energy: -50.333
bonds (distance) P-C4' energy: -47.005
flat angles C4'-P-C4' energy: -48.041
flat angles P-C4'-P energy: -30.922
tors. eta vs tors. theta energy: -37.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -571.533991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.533991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.533991 (E_RNA)
where:
Base-Base interactions energy: -351.360
where: short stacking energy: -165.674
Base-Backbone interact. energy: 0.293
local terms energy: -220.467208
where:
bonds (distance) C4'-P energy: -50.132
bonds (distance) P-C4' energy: -53.269
flat angles C4'-P-C4' energy: -48.741
flat angles P-C4'-P energy: -33.555
tors. eta vs tors. theta energy: -34.770
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: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -545.852812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.852812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.852812 (E_RNA)
where:
Base-Base interactions energy: -344.743
where: short stacking energy: -168.382
Base-Backbone interact. energy: -0.220
local terms energy: -200.889701
where:
bonds (distance) C4'-P energy: -35.866
bonds (distance) P-C4' energy: -41.951
flat angles C4'-P-C4' energy: -48.513
flat angles P-C4'-P energy: -35.328
tors. eta vs tors. theta energy: -39.232
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: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -412.377197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.377197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.377197 (E_RNA)
where:
Base-Base interactions energy: -247.751
where: short stacking energy: -117.443
Base-Backbone interact. energy: -1.212
local terms energy: -163.414542
where:
bonds (distance) C4'-P energy: -42.917
bonds (distance) P-C4' energy: -32.461
flat angles C4'-P-C4' energy: -44.340
flat angles P-C4'-P energy: -26.200
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -240.540032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.540032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.540032 (E_RNA)
where:
Base-Base interactions energy: -90.190
where: short stacking energy: -74.136
Base-Backbone interact. energy: -0.355
local terms energy: -149.995307
where:
bonds (distance) C4'-P energy: -36.382
bonds (distance) P-C4' energy: -40.159
flat angles C4'-P-C4' energy: -43.578
flat angles P-C4'-P energy: -27.663
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -251.562270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.562270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.562270 (E_RNA)
where:
Base-Base interactions energy: -107.522
where: short stacking energy: -69.893
Base-Backbone interact. energy: -1.360
local terms energy: -142.680030
where:
bonds (distance) C4'-P energy: -28.287
bonds (distance) P-C4' energy: -41.456
flat angles C4'-P-C4' energy: -46.670
flat angles P-C4'-P energy: -20.668
tors. eta vs tors. theta energy: -5.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -828.433382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.433382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.433382 (E_RNA)
where:
Base-Base interactions energy: -569.304
where: short stacking energy: -268.331
Base-Backbone interact. energy: -0.337
local terms energy: -258.792228
where:
bonds (distance) C4'-P energy: -48.765
bonds (distance) P-C4' energy: -47.591
flat angles C4'-P-C4' energy: -56.001
flat angles P-C4'-P energy: -35.806
tors. eta vs tors. theta energy: -70.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -759.247671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.247671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.247671 (E_RNA)
where:
Base-Base interactions energy: -506.384
where: short stacking energy: -246.541
Base-Backbone interact. energy: -0.897
local terms energy: -251.966581
where:
bonds (distance) C4'-P energy: -45.152
bonds (distance) P-C4' energy: -51.911
flat angles C4'-P-C4' energy: -50.740
flat angles P-C4'-P energy: -33.064
tors. eta vs tors. theta energy: -71.099
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: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -685.274228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.274228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.274228 (E_RNA)
where:
Base-Base interactions energy: -472.636
where: short stacking energy: -202.137
Base-Backbone interact. energy: -0.782
local terms energy: -211.856383
where:
bonds (distance) C4'-P energy: -44.682
bonds (distance) P-C4' energy: -45.272
flat angles C4'-P-C4' energy: -48.143
flat angles P-C4'-P energy: -26.849
tors. eta vs tors. theta energy: -46.911
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: 10
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -666.254418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.254418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.254418 (E_RNA)
where:
Base-Base interactions energy: -445.939
where: short stacking energy: -205.270
Base-Backbone interact. energy: -1.176
local terms energy: -219.138990
where:
bonds (distance) C4'-P energy: -41.229
bonds (distance) P-C4' energy: -47.473
flat angles C4'-P-C4' energy: -46.038
flat angles P-C4'-P energy: -31.193
tors. eta vs tors. theta energy: -53.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -594.263319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.263319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.263319 (E_RNA)
where:
Base-Base interactions energy: -370.308
where: short stacking energy: -176.278
Base-Backbone interact. energy: -3.270
local terms energy: -220.685741
where:
bonds (distance) C4'-P energy: -45.716
bonds (distance) P-C4' energy: -54.169
flat angles C4'-P-C4' energy: -47.215
flat angles P-C4'-P energy: -31.810
tors. eta vs tors. theta energy: -41.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -576.629025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.629025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.629025 (E_RNA)
where:
Base-Base interactions energy: -378.430
where: short stacking energy: -165.517
Base-Backbone interact. energy: -2.202
local terms energy: -195.997219
where:
bonds (distance) C4'-P energy: -36.649
bonds (distance) P-C4' energy: -44.326
flat angles C4'-P-C4' energy: -46.572
flat angles P-C4'-P energy: -31.362
tors. eta vs tors. theta energy: -37.088
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: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -547.278486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.278486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.278486 (E_RNA)
where:
Base-Base interactions energy: -348.756
where: short stacking energy: -159.345
Base-Backbone interact. energy: 0.267
local terms energy: -198.789795
where:
bonds (distance) C4'-P energy: -34.866
bonds (distance) P-C4' energy: -52.309
flat angles C4'-P-C4' energy: -46.694
flat angles P-C4'-P energy: -32.634
tors. eta vs tors. theta energy: -32.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -396.377015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.377015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.377015 (E_RNA)
where:
Base-Base interactions energy: -231.987
where: short stacking energy: -108.835
Base-Backbone interact. energy: 1.723
local terms energy: -166.112844
where:
bonds (distance) C4'-P energy: -42.091
bonds (distance) P-C4' energy: -37.494
flat angles C4'-P-C4' energy: -33.887
flat angles P-C4'-P energy: -28.161
tors. eta vs tors. theta energy: -24.480
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: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -299.334138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.334138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.334138 (E_RNA)
where:
Base-Base interactions energy: -175.614
where: short stacking energy: -80.786
Base-Backbone interact. energy: -1.215
local terms energy: -122.505996
where:
bonds (distance) C4'-P energy: -37.426
bonds (distance) P-C4' energy: -30.727
flat angles C4'-P-C4' energy: -34.415
flat angles P-C4'-P energy: -21.429
tors. eta vs tors. theta energy: 1.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -209.148678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.148678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.148678 (E_RNA)
where:
Base-Base interactions energy: -68.768
where: short stacking energy: -43.400
Base-Backbone interact. energy: -0.458
local terms energy: -139.921760
where:
bonds (distance) C4'-P energy: -43.391
bonds (distance) P-C4' energy: -45.048
flat angles C4'-P-C4' energy: -43.150
flat angles P-C4'-P energy: -19.659
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: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -821.224460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.224460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.224460 (E_RNA)
where:
Base-Base interactions energy: -555.340
where: short stacking energy: -263.601
Base-Backbone interact. energy: -0.654
local terms energy: -265.231132
where:
bonds (distance) C4'-P energy: -49.561
bonds (distance) P-C4' energy: -51.064
flat angles C4'-P-C4' energy: -51.338
flat angles P-C4'-P energy: -37.358
tors. eta vs tors. theta energy: -75.910
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: 9
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -736.677245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.677245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.677245 (E_RNA)
where:
Base-Base interactions energy: -482.500
where: short stacking energy: -255.299
Base-Backbone interact. energy: -0.105
local terms energy: -254.072468
where:
bonds (distance) C4'-P energy: -43.199
bonds (distance) P-C4' energy: -47.184
flat angles C4'-P-C4' energy: -55.893
flat angles P-C4'-P energy: -35.877
tors. eta vs tors. theta energy: -71.919
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: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -701.641795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.641795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.641795 (E_RNA)
where:
Base-Base interactions energy: -482.523
where: short stacking energy: -200.475
Base-Backbone interact. energy: 7.509
local terms energy: -226.628123
where:
bonds (distance) C4'-P energy: -49.649
bonds (distance) P-C4' energy: -45.642
flat angles C4'-P-C4' energy: -49.056
flat angles P-C4'-P energy: -36.196
tors. eta vs tors. theta energy: -46.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -663.610556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.610556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.610556 (E_RNA)
where:
Base-Base interactions energy: -440.431
where: short stacking energy: -200.294
Base-Backbone interact. energy: 1.665
local terms energy: -224.843906
where:
bonds (distance) C4'-P energy: -45.272
bonds (distance) P-C4' energy: -50.195
flat angles C4'-P-C4' energy: -49.936
flat angles P-C4'-P energy: -31.850
tors. eta vs tors. theta energy: -47.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -607.978634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.978634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.978634 (E_RNA)
where:
Base-Base interactions energy: -379.974
where: short stacking energy: -181.361
Base-Backbone interact. energy: -0.073
local terms energy: -227.931809
where:
bonds (distance) C4'-P energy: -45.660
bonds (distance) P-C4' energy: -44.936
flat angles C4'-P-C4' energy: -56.254
flat angles P-C4'-P energy: -30.488
tors. eta vs tors. theta energy: -50.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -583.458815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.458815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.458815 (E_RNA)
where:
Base-Base interactions energy: -387.886
where: short stacking energy: -172.603
Base-Backbone interact. energy: -0.982
local terms energy: -194.590954
where:
bonds (distance) C4'-P energy: -37.900
bonds (distance) P-C4' energy: -46.619
flat angles C4'-P-C4' energy: -48.533
flat angles P-C4'-P energy: -30.255
tors. eta vs tors. theta energy: -31.284
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: 3
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -512.779522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.779522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.779522 (E_RNA)
where:
Base-Base interactions energy: -336.235
where: short stacking energy: -145.793
Base-Backbone interact. energy: -0.986
local terms energy: -175.558916
where:
bonds (distance) C4'-P energy: -45.904
bonds (distance) P-C4' energy: -45.359
flat angles C4'-P-C4' energy: -40.873
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -27.795
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: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -406.333313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.333313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.333313 (E_RNA)
where:
Base-Base interactions energy: -244.819
where: short stacking energy: -125.465
Base-Backbone interact. energy: 3.906
local terms energy: -165.420601
where:
bonds (distance) C4'-P energy: -45.421
bonds (distance) P-C4' energy: -39.477
flat angles C4'-P-C4' energy: -50.773
flat angles P-C4'-P energy: -17.130
tors. eta vs tors. theta energy: -12.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -280.852820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.852820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.852820 (E_RNA)
where:
Base-Base interactions energy: -122.501
where: short stacking energy: -79.530
Base-Backbone interact. energy: 0.818
local terms energy: -159.169955
where:
bonds (distance) C4'-P energy: -42.988
bonds (distance) P-C4' energy: -56.828
flat angles C4'-P-C4' energy: -29.179
flat angles P-C4'-P energy: -18.027
tors. eta vs tors. theta energy: -12.148
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: 39
Temperature: 1.350000
Total energy: -205.500387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.500387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.500387 (E_RNA)
where:
Base-Base interactions energy: -76.121
where: short stacking energy: -66.928
Base-Backbone interact. energy: -0.565
local terms energy: -128.813937
where:
bonds (distance) C4'-P energy: -45.190
bonds (distance) P-C4' energy: -43.051
flat angles C4'-P-C4' energy: -21.449
flat angles P-C4'-P energy: -20.996
tors. eta vs tors. theta energy: 1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -812.156155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.156155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.156155 (E_RNA)
where:
Base-Base interactions energy: -558.504
where: short stacking energy: -265.888
Base-Backbone interact. energy: -1.415
local terms energy: -252.237680
where:
bonds (distance) C4'-P energy: -39.744
bonds (distance) P-C4' energy: -55.768
flat angles C4'-P-C4' energy: -51.368
flat angles P-C4'-P energy: -30.102
tors. eta vs tors. theta energy: -75.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -750.966004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.966004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.966004 (E_RNA)
where:
Base-Base interactions energy: -492.651
where: short stacking energy: -243.008
Base-Backbone interact. energy: 0.028
local terms energy: -258.342256
where:
bonds (distance) C4'-P energy: -50.779
bonds (distance) P-C4' energy: -47.014
flat angles C4'-P-C4' energy: -50.189
flat angles P-C4'-P energy: -38.027
tors. eta vs tors. theta energy: -72.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -694.763290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.763290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.763290 (E_RNA)
where:
Base-Base interactions energy: -472.836
where: short stacking energy: -208.027
Base-Backbone interact. energy: -2.301
local terms energy: -219.626694
where:
bonds (distance) C4'-P energy: -47.050
bonds (distance) P-C4' energy: -49.157
flat angles C4'-P-C4' energy: -52.339
flat angles P-C4'-P energy: -22.414
tors. eta vs tors. theta energy: -48.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -681.354050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.354050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.354050 (E_RNA)
where:
Base-Base interactions energy: -453.241
where: short stacking energy: -198.261
Base-Backbone interact. energy: -3.058
local terms energy: -225.055044
where:
bonds (distance) C4'-P energy: -47.599
bonds (distance) P-C4' energy: -46.667
flat angles C4'-P-C4' energy: -44.111
flat angles P-C4'-P energy: -34.458
tors. eta vs tors. theta energy: -52.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -623.373586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.373586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.373586 (E_RNA)
where:
Base-Base interactions energy: -413.755
where: short stacking energy: -171.527
Base-Backbone interact. energy: -0.089
local terms energy: -209.530474
where:
bonds (distance) C4'-P energy: -36.236
bonds (distance) P-C4' energy: -52.539
flat angles C4'-P-C4' energy: -51.568
flat angles P-C4'-P energy: -32.498
tors. eta vs tors. theta energy: -36.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -546.736794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.736794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.736794 (E_RNA)
where:
Base-Base interactions energy: -362.145
where: short stacking energy: -154.779
Base-Backbone interact. energy: -2.455
local terms energy: -182.135886
where:
bonds (distance) C4'-P energy: -42.799
bonds (distance) P-C4' energy: -41.966
flat angles C4'-P-C4' energy: -39.203
flat angles P-C4'-P energy: -23.030
tors. eta vs tors. theta energy: -35.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -536.769349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.769349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.769349 (E_RNA)
where:
Base-Base interactions energy: -346.108
where: short stacking energy: -166.580
Base-Backbone interact. energy: -1.063
local terms energy: -189.597658
where:
bonds (distance) C4'-P energy: -29.536
bonds (distance) P-C4' energy: -37.376
flat angles C4'-P-C4' energy: -47.133
flat angles P-C4'-P energy: -28.198
tors. eta vs tors. theta energy: -47.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -396.148036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.148036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.148036 (E_RNA)
where:
Base-Base interactions energy: -245.203
where: short stacking energy: -116.575
Base-Backbone interact. energy: -1.070
local terms energy: -149.875350
where:
bonds (distance) C4'-P energy: -39.454
bonds (distance) P-C4' energy: -37.615
flat angles C4'-P-C4' energy: -25.437
flat angles P-C4'-P energy: -26.361
tors. eta vs tors. theta energy: -21.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -294.691397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.691397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.691397 (E_RNA)
where:
Base-Base interactions energy: -150.213
where: short stacking energy: -77.391
Base-Backbone interact. energy: 4.414
local terms energy: -148.891995
where:
bonds (distance) C4'-P energy: -46.271
bonds (distance) P-C4' energy: -40.309
flat angles C4'-P-C4' energy: -41.761
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -4.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -221.566984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.566984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.566984 (E_RNA)
where:
Base-Base interactions energy: -91.372
where: short stacking energy: -76.089
Base-Backbone interact. energy: -0.602
local terms energy: -129.592205
where:
bonds (distance) C4'-P energy: -38.180
bonds (distance) P-C4' energy: -33.057
flat angles C4'-P-C4' energy: -28.850
flat angles P-C4'-P energy: -30.306
tors. eta vs tors. theta energy: 0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -819.728413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.728413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.728413 (E_RNA)
where:
Base-Base interactions energy: -567.941
where: short stacking energy: -255.537
Base-Backbone interact. energy: 0.053
local terms energy: -251.840187
where:
bonds (distance) C4'-P energy: -55.045
bonds (distance) P-C4' energy: -41.756
flat angles C4'-P-C4' energy: -45.411
flat angles P-C4'-P energy: -39.173
tors. eta vs tors. theta energy: -70.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -743.155481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.155481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.155481 (E_RNA)
where:
Base-Base interactions energy: -492.362
where: short stacking energy: -236.877
Base-Backbone interact. energy: -0.832
local terms energy: -249.961362
where:
bonds (distance) C4'-P energy: -40.424
bonds (distance) P-C4' energy: -47.704
flat angles C4'-P-C4' energy: -52.869
flat angles P-C4'-P energy: -41.321
tors. eta vs tors. theta energy: -67.643
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: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -697.013934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.013934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.013934 (E_RNA)
where:
Base-Base interactions energy: -479.615
where: short stacking energy: -193.505
Base-Backbone interact. energy: -0.635
local terms energy: -216.764532
where:
bonds (distance) C4'-P energy: -50.137
bonds (distance) P-C4' energy: -44.258
flat angles C4'-P-C4' energy: -46.026
flat angles P-C4'-P energy: -34.211
tors. eta vs tors. theta energy: -42.134
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: 4, replica: 10
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -695.343917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.343917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.343917 (E_RNA)
where:
Base-Base interactions energy: -463.935
where: short stacking energy: -211.672
Base-Backbone interact. energy: -1.425
local terms energy: -229.983705
where:
bonds (distance) C4'-P energy: -48.732
bonds (distance) P-C4' energy: -45.512
flat angles C4'-P-C4' energy: -46.409
flat angles P-C4'-P energy: -36.435
tors. eta vs tors. theta energy: -52.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -624.681102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.681102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.681102 (E_RNA)
where:
Base-Base interactions energy: -422.681
where: short stacking energy: -187.772
Base-Backbone interact. energy: 0.389
local terms energy: -202.389462
where:
bonds (distance) C4'-P energy: -39.352
bonds (distance) P-C4' energy: -35.819
flat angles C4'-P-C4' energy: -47.985
flat angles P-C4'-P energy: -38.624
tors. eta vs tors. theta energy: -40.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -544.454982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.454982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.454982 (E_RNA)
where:
Base-Base interactions energy: -344.845
where: short stacking energy: -155.919
Base-Backbone interact. energy: -0.654
local terms energy: -198.955399
where:
bonds (distance) C4'-P energy: -46.673
bonds (distance) P-C4' energy: -39.880
flat angles C4'-P-C4' energy: -48.266
flat angles P-C4'-P energy: -26.147
tors. eta vs tors. theta energy: -37.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -544.388091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.388091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.388091 (E_RNA)
where:
Base-Base interactions energy: -349.710
where: short stacking energy: -160.466
Base-Backbone interact. energy: -0.993
local terms energy: -193.684753
where:
bonds (distance) C4'-P energy: -49.803
bonds (distance) P-C4' energy: -46.066
flat angles C4'-P-C4' energy: -44.707
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -39.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -409.995306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.995306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.995306 (E_RNA)
where:
Base-Base interactions energy: -236.724
where: short stacking energy: -130.338
Base-Backbone interact. energy: 0.232
local terms energy: -173.503978
where:
bonds (distance) C4'-P energy: -42.634
bonds (distance) P-C4' energy: -41.609
flat angles C4'-P-C4' energy: -41.218
flat angles P-C4'-P energy: -18.359
tors. eta vs tors. theta energy: -29.684
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: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -236.648830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.648830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.648830 (E_RNA)
where:
Base-Base interactions energy: -75.516
where: short stacking energy: -73.443
Base-Backbone interact. energy: 0.164
local terms energy: -161.297090
where:
bonds (distance) C4'-P energy: -45.849
bonds (distance) P-C4' energy: -36.408
flat angles C4'-P-C4' energy: -48.824
flat angles P-C4'-P energy: -30.706
tors. eta vs tors. theta energy: 0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -216.100615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.100615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.100615 (E_RNA)
where:
Base-Base interactions energy: -75.408
where: short stacking energy: -60.015
Base-Backbone interact. energy: -0.496
local terms energy: -140.196941
where:
bonds (distance) C4'-P energy: -30.873
bonds (distance) P-C4' energy: -46.317
flat angles C4'-P-C4' energy: -38.362
flat angles P-C4'-P energy: -28.200
tors. eta vs tors. theta energy: 3.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -822.856210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.856210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.856210 (E_RNA)
where:
Base-Base interactions energy: -561.347
where: short stacking energy: -261.021
Base-Backbone interact. energy: -1.242
local terms energy: -260.267214
where:
bonds (distance) C4'-P energy: -48.968
bonds (distance) P-C4' energy: -53.746
flat angles C4'-P-C4' energy: -52.533
flat angles P-C4'-P energy: -34.815
tors. eta vs tors. theta energy: -70.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -752.862717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.862717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.862717 (E_RNA)
where:
Base-Base interactions energy: -506.044
where: short stacking energy: -245.114
Base-Backbone interact. energy: -0.080
local terms energy: -246.738134
where:
bonds (distance) C4'-P energy: -42.496
bonds (distance) P-C4' energy: -42.488
flat angles C4'-P-C4' energy: -57.811
flat angles P-C4'-P energy: -33.350
tors. eta vs tors. theta energy: -70.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -693.798472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.798472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.798472 (E_RNA)
where:
Base-Base interactions energy: -466.923
where: short stacking energy: -193.874
Base-Backbone interact. energy: 0.296
local terms energy: -227.171494
where:
bonds (distance) C4'-P energy: -47.732
bonds (distance) P-C4' energy: -47.437
flat angles C4'-P-C4' energy: -51.199
flat angles P-C4'-P energy: -32.878
tors. eta vs tors. theta energy: -47.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -683.957223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.957223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.957223 (E_RNA)
where:
Base-Base interactions energy: -458.762
where: short stacking energy: -198.018
Base-Backbone interact. energy: -0.673
local terms energy: -224.521564
where:
bonds (distance) C4'-P energy: -46.592
bonds (distance) P-C4' energy: -52.444
flat angles C4'-P-C4' energy: -47.701
flat angles P-C4'-P energy: -32.210
tors. eta vs tors. theta energy: -45.575
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: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -612.251163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.251163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.251163 (E_RNA)
where:
Base-Base interactions energy: -406.847
where: short stacking energy: -181.205
Base-Backbone interact. energy: -0.649
local terms energy: -204.755082
where:
bonds (distance) C4'-P energy: -39.109
bonds (distance) P-C4' energy: -45.320
flat angles C4'-P-C4' energy: -50.423
flat angles P-C4'-P energy: -27.393
tors. eta vs tors. theta energy: -42.510
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: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -512.581254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.581254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.581254 (E_RNA)
where:
Base-Base interactions energy: -318.026
where: short stacking energy: -164.341
Base-Backbone interact. energy: -0.979
local terms energy: -193.575973
where:
bonds (distance) C4'-P energy: -43.774
bonds (distance) P-C4' energy: -39.620
flat angles C4'-P-C4' energy: -44.234
flat angles P-C4'-P energy: -25.530
tors. eta vs tors. theta energy: -40.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -543.969510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.969510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.969510 (E_RNA)
where:
Base-Base interactions energy: -346.077
where: short stacking energy: -164.879
Base-Backbone interact. energy: -0.893
local terms energy: -196.999426
where:
bonds (distance) C4'-P energy: -48.360
bonds (distance) P-C4' energy: -44.394
flat angles C4'-P-C4' energy: -34.622
flat angles P-C4'-P energy: -30.668
tors. eta vs tors. theta energy: -38.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -397.604905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.604905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.604905 (E_RNA)
where:
Base-Base interactions energy: -246.507
where: short stacking energy: -113.804
Base-Backbone interact. energy: -0.686
local terms energy: -150.411349
where:
bonds (distance) C4'-P energy: -39.652
bonds (distance) P-C4' energy: -36.633
flat angles C4'-P-C4' energy: -45.934
flat angles P-C4'-P energy: -18.480
tors. eta vs tors. theta energy: -9.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -224.252938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.252938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.252938 (E_RNA)
where:
Base-Base interactions energy: -88.296
where: short stacking energy: -60.827
Base-Backbone interact. energy: -0.851
local terms energy: -135.105801
where:
bonds (distance) C4'-P energy: -44.052
bonds (distance) P-C4' energy: -37.419
flat angles C4'-P-C4' energy: -43.813
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: 1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -220.880317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.880317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.880317 (E_RNA)
where:
Base-Base interactions energy: -83.632
where: short stacking energy: -83.063
Base-Backbone interact. energy: -0.443
local terms energy: -136.805306
where:
bonds (distance) C4'-P energy: -39.690
bonds (distance) P-C4' energy: -45.586
flat angles C4'-P-C4' energy: -28.305
flat angles P-C4'-P energy: -26.085
tors. eta vs tors. theta energy: 2.862
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: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -802.478897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.478897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.478897 (E_RNA)
where:
Base-Base interactions energy: -550.466
where: short stacking energy: -259.434
Base-Backbone interact. energy: -0.549
local terms energy: -251.463800
where:
bonds (distance) C4'-P energy: -48.982
bonds (distance) P-C4' energy: -40.732
flat angles C4'-P-C4' energy: -57.626
flat angles P-C4'-P energy: -31.952
tors. eta vs tors. theta energy: -72.171
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: 9
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -753.044498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.044498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.044498 (E_RNA)
where:
Base-Base interactions energy: -492.568
where: short stacking energy: -227.278
Base-Backbone interact. energy: -0.515
local terms energy: -259.961423
where:
bonds (distance) C4'-P energy: -49.981
bonds (distance) P-C4' energy: -44.976
flat angles C4'-P-C4' energy: -58.054
flat angles P-C4'-P energy: -37.491
tors. eta vs tors. theta energy: -69.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -730.887359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.887359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.887359 (E_RNA)
where:
Base-Base interactions energy: -509.425
where: short stacking energy: -208.299
Base-Backbone interact. energy: -1.284
local terms energy: -220.178358
where:
bonds (distance) C4'-P energy: -47.916
bonds (distance) P-C4' energy: -39.807
flat angles C4'-P-C4' energy: -46.326
flat angles P-C4'-P energy: -34.935
tors. eta vs tors. theta energy: -51.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -623.431574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.431574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.431574 (E_RNA)
where:
Base-Base interactions energy: -402.739
where: short stacking energy: -191.431
Base-Backbone interact. energy: -0.260
local terms energy: -220.432345
where:
bonds (distance) C4'-P energy: -49.657
bonds (distance) P-C4' energy: -48.640
flat angles C4'-P-C4' energy: -42.028
flat angles P-C4'-P energy: -34.673
tors. eta vs tors. theta energy: -45.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -634.956672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.956672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.956672 (E_RNA)
where:
Base-Base interactions energy: -417.157
where: short stacking energy: -202.215
Base-Backbone interact. energy: -1.412
local terms energy: -216.387634
where:
bonds (distance) C4'-P energy: -49.687
bonds (distance) P-C4' energy: -41.516
flat angles C4'-P-C4' energy: -52.253
flat angles P-C4'-P energy: -31.321
tors. eta vs tors. theta energy: -41.611
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: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -563.363783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.363783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.363783 (E_RNA)
where:
Base-Base interactions energy: -351.172
where: short stacking energy: -182.661
Base-Backbone interact. energy: -1.231
local terms energy: -210.961586
where:
bonds (distance) C4'-P energy: -39.631
bonds (distance) P-C4' energy: -46.388
flat angles C4'-P-C4' energy: -47.713
flat angles P-C4'-P energy: -30.920
tors. eta vs tors. theta energy: -46.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -486.978132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.978132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.978132 (E_RNA)
where:
Base-Base interactions energy: -295.662
where: short stacking energy: -140.448
Base-Backbone interact. energy: -1.727
local terms energy: -189.589936
where:
bonds (distance) C4'-P energy: -44.414
bonds (distance) P-C4' energy: -41.535
flat angles C4'-P-C4' energy: -47.727
flat angles P-C4'-P energy: -31.096
tors. eta vs tors. theta energy: -24.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -385.247969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.247969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.247969 (E_RNA)
where:
Base-Base interactions energy: -204.091
where: short stacking energy: -99.893
Base-Backbone interact. energy: -0.910
local terms energy: -180.246385
where:
bonds (distance) C4'-P energy: -51.485
bonds (distance) P-C4' energy: -38.456
flat angles C4'-P-C4' energy: -47.214
flat angles P-C4'-P energy: -30.765
tors. eta vs tors. theta energy: -12.327
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: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -285.240625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.240625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.240625 (E_RNA)
where:
Base-Base interactions energy: -107.158
where: short stacking energy: -89.249
Base-Backbone interact. energy: -0.498
local terms energy: -177.585295
where:
bonds (distance) C4'-P energy: -44.485
bonds (distance) P-C4' energy: -45.942
flat angles C4'-P-C4' energy: -50.778
flat angles P-C4'-P energy: -30.316
tors. eta vs tors. theta energy: -6.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -216.835197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.835197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.835197 (E_RNA)
where:
Base-Base interactions energy: -98.533
where: short stacking energy: -72.879
Base-Backbone interact. energy: -1.830
local terms energy: -116.471975
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -35.729
flat angles C4'-P-C4' energy: -40.561
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: 4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -770.552672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.552672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.552672 (E_RNA)
where:
Base-Base interactions energy: -526.446
where: short stacking energy: -256.423
Base-Backbone interact. energy: -0.054
local terms energy: -244.052506
where:
bonds (distance) C4'-P energy: -44.463
bonds (distance) P-C4' energy: -41.792
flat angles C4'-P-C4' energy: -51.317
flat angles P-C4'-P energy: -31.429
tors. eta vs tors. theta energy: -75.052
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: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -792.865340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.865340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.865340 (E_RNA)
where:
Base-Base interactions energy: -543.002
where: short stacking energy: -247.242
Base-Backbone interact. energy: -0.196
local terms energy: -249.667399
where:
bonds (distance) C4'-P energy: -53.097
bonds (distance) P-C4' energy: -36.502
flat angles C4'-P-C4' energy: -51.436
flat angles P-C4'-P energy: -36.571
tors. eta vs tors. theta energy: -72.062
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: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -728.131867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.131867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.131867 (E_RNA)
where:
Base-Base interactions energy: -497.045
where: short stacking energy: -194.600
Base-Backbone interact. energy: -1.532
local terms energy: -229.554520
where:
bonds (distance) C4'-P energy: -42.847
bonds (distance) P-C4' energy: -39.785
flat angles C4'-P-C4' energy: -53.541
flat angles P-C4'-P energy: -41.307
tors. eta vs tors. theta energy: -52.074
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: 44
Temperature: 1.050000
Total energy: -637.841077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.841077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.841077 (E_RNA)
where:
Base-Base interactions energy: -424.328
where: short stacking energy: -177.008
Base-Backbone interact. energy: -1.278
local terms energy: -212.234490
where:
bonds (distance) C4'-P energy: -40.281
bonds (distance) P-C4' energy: -50.009
flat angles C4'-P-C4' energy: -50.764
flat angles P-C4'-P energy: -29.060
tors. eta vs tors. theta energy: -42.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -609.522035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.522035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.522035 (E_RNA)
where:
Base-Base interactions energy: -391.093
where: short stacking energy: -180.669
Base-Backbone interact. energy: 1.706
local terms energy: -220.135033
where:
bonds (distance) C4'-P energy: -43.643
bonds (distance) P-C4' energy: -42.666
flat angles C4'-P-C4' energy: -48.606
flat angles P-C4'-P energy: -39.158
tors. eta vs tors. theta energy: -46.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -583.111710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.111710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.111710 (E_RNA)
where:
Base-Base interactions energy: -394.139
where: short stacking energy: -179.378
Base-Backbone interact. energy: 0.389
local terms energy: -189.361746
where:
bonds (distance) C4'-P energy: -42.926
bonds (distance) P-C4' energy: -41.679
flat angles C4'-P-C4' energy: -48.975
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: -33.100
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: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -473.243413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.243413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.243413 (E_RNA)
where:
Base-Base interactions energy: -302.299
where: short stacking energy: -143.705
Base-Backbone interact. energy: 2.778
local terms energy: -173.722714
where:
bonds (distance) C4'-P energy: -35.136
bonds (distance) P-C4' energy: -45.061
flat angles C4'-P-C4' energy: -34.458
flat angles P-C4'-P energy: -26.791
tors. eta vs tors. theta energy: -32.276
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: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -459.223472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.223472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.223472 (E_RNA)
where:
Base-Base interactions energy: -280.142
where: short stacking energy: -125.068
Base-Backbone interact. energy: -0.297
local terms energy: -178.784758
where:
bonds (distance) C4'-P energy: -43.648
bonds (distance) P-C4' energy: -38.939
flat angles C4'-P-C4' energy: -39.175
flat angles P-C4'-P energy: -32.911
tors. eta vs tors. theta energy: -24.112
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: 5
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -249.871988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.871988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.871988 (E_RNA)
where:
Base-Base interactions energy: -107.210
where: short stacking energy: -63.582
Base-Backbone interact. energy: -0.612
local terms energy: -142.050200
where:
bonds (distance) C4'-P energy: -44.260
bonds (distance) P-C4' energy: -41.899
flat angles C4'-P-C4' energy: -36.734
flat angles P-C4'-P energy: -27.200
tors. eta vs tors. theta energy: 8.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -225.499630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.499630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.499630 (E_RNA)
where:
Base-Base interactions energy: -88.584
where: short stacking energy: -76.336
Base-Backbone interact. energy: -1.397
local terms energy: -135.518704
where:
bonds (distance) C4'-P energy: -42.315
bonds (distance) P-C4' energy: -42.238
flat angles C4'-P-C4' energy: -39.033
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -766.305092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.305092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.305092 (E_RNA)
where:
Base-Base interactions energy: -496.552
where: short stacking energy: -243.507
Base-Backbone interact. energy: -0.048
local terms energy: -269.705124
where:
bonds (distance) C4'-P energy: -42.453
bonds (distance) P-C4' energy: -53.604
flat angles C4'-P-C4' energy: -62.865
flat angles P-C4'-P energy: -37.812
tors. eta vs tors. theta energy: -72.972
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: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -767.284662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.284662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.284662 (E_RNA)
where:
Base-Base interactions energy: -550.878
where: short stacking energy: -218.339
Base-Backbone interact. energy: -0.703
local terms energy: -215.704001
where:
bonds (distance) C4'-P energy: -43.875
bonds (distance) P-C4' energy: -40.419
flat angles C4'-P-C4' energy: -45.346
flat angles P-C4'-P energy: -33.787
tors. eta vs tors. theta energy: -52.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -785.656597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.656597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.656597 (E_RNA)
where:
Base-Base interactions energy: -532.606
where: short stacking energy: -249.180
Base-Backbone interact. energy: -1.407
local terms energy: -251.644079
where:
bonds (distance) C4'-P energy: -45.717
bonds (distance) P-C4' energy: -45.309
flat angles C4'-P-C4' energy: -54.229
flat angles P-C4'-P energy: -30.744
tors. eta vs tors. theta energy: -75.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -621.102429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.102429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.102429 (E_RNA)
where:
Base-Base interactions energy: -393.574
where: short stacking energy: -176.159
Base-Backbone interact. energy: -2.937
local terms energy: -224.591392
where:
bonds (distance) C4'-P energy: -53.476
bonds (distance) P-C4' energy: -49.716
flat angles C4'-P-C4' energy: -45.996
flat angles P-C4'-P energy: -24.901
tors. eta vs tors. theta energy: -50.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -612.577769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.577769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.577769 (E_RNA)
where:
Base-Base interactions energy: -398.181
where: short stacking energy: -180.397
Base-Backbone interact. energy: -1.552
local terms energy: -212.845109
where:
bonds (distance) C4'-P energy: -44.267
bonds (distance) P-C4' energy: -47.723
flat angles C4'-P-C4' energy: -49.064
flat angles P-C4'-P energy: -30.053
tors. eta vs tors. theta energy: -41.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -600.005449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.005449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.005449 (E_RNA)
where:
Base-Base interactions energy: -398.698
where: short stacking energy: -170.562
Base-Backbone interact. energy: -0.117
local terms energy: -201.190759
where:
bonds (distance) C4'-P energy: -43.128
bonds (distance) P-C4' energy: -48.367
flat angles C4'-P-C4' energy: -45.013
flat angles P-C4'-P energy: -27.842
tors. eta vs tors. theta energy: -36.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -488.006126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.006126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.006126 (E_RNA)
where:
Base-Base interactions energy: -315.417
where: short stacking energy: -164.013
Base-Backbone interact. energy: 3.036
local terms energy: -175.624799
where:
bonds (distance) C4'-P energy: -38.153
bonds (distance) P-C4' energy: -34.850
flat angles C4'-P-C4' energy: -47.950
flat angles P-C4'-P energy: -29.407
tors. eta vs tors. theta energy: -25.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -485.099219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.099219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.099219 (E_RNA)
where:
Base-Base interactions energy: -288.023
where: short stacking energy: -138.075
Base-Backbone interact. energy: -0.379
local terms energy: -196.697856
where:
bonds (distance) C4'-P energy: -40.718
bonds (distance) P-C4' energy: -49.024
flat angles C4'-P-C4' energy: -48.344
flat angles P-C4'-P energy: -30.235
tors. eta vs tors. theta energy: -28.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -241.163212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.163212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.163212 (E_RNA)
where:
Base-Base interactions energy: -84.852
where: short stacking energy: -83.779
Base-Backbone interact. energy: -0.714
local terms energy: -155.597620
where:
bonds (distance) C4'-P energy: -41.619
bonds (distance) P-C4' energy: -46.118
flat angles C4'-P-C4' energy: -29.405
flat angles P-C4'-P energy: -28.941
tors. eta vs tors. theta energy: -9.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -223.662913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.662913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.662913 (E_RNA)
where:
Base-Base interactions energy: -80.782
where: short stacking energy: -78.859
Base-Backbone interact. energy: -0.195
local terms energy: -142.685854
where:
bonds (distance) C4'-P energy: -41.224
bonds (distance) P-C4' energy: -42.872
flat angles C4'-P-C4' energy: -27.362
flat angles P-C4'-P energy: -24.209
tors. eta vs tors. theta energy: -7.020
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: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -784.747492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.747492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.747492 (E_RNA)
where:
Base-Base interactions energy: -539.466
where: short stacking energy: -232.948
Base-Backbone interact. energy: -2.923
local terms energy: -242.358967
where:
bonds (distance) C4'-P energy: -47.791
bonds (distance) P-C4' energy: -56.093
flat angles C4'-P-C4' energy: -50.137
flat angles P-C4'-P energy: -32.524
tors. eta vs tors. theta energy: -55.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -755.445893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.445893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.445893 (E_RNA)
where:
Base-Base interactions energy: -500.835
where: short stacking energy: -238.721
Base-Backbone interact. energy: -0.210
local terms energy: -254.400445
where:
bonds (distance) C4'-P energy: -43.083
bonds (distance) P-C4' energy: -49.492
flat angles C4'-P-C4' energy: -49.946
flat angles P-C4'-P energy: -40.603
tors. eta vs tors. theta energy: -71.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -778.260407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.260407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.260407 (E_RNA)
where:
Base-Base interactions energy: -531.056
where: short stacking energy: -245.408
Base-Backbone interact. energy: -1.598
local terms energy: -245.606056
where:
bonds (distance) C4'-P energy: -39.105
bonds (distance) P-C4' energy: -42.885
flat angles C4'-P-C4' energy: -56.651
flat angles P-C4'-P energy: -37.932
tors. eta vs tors. theta energy: -69.034
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: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -632.314213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.314213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.314213 (E_RNA)
where:
Base-Base interactions energy: -417.144
where: short stacking energy: -189.321
Base-Backbone interact. energy: -1.566
local terms energy: -213.604747
where:
bonds (distance) C4'-P energy: -37.641
bonds (distance) P-C4' energy: -53.619
flat angles C4'-P-C4' energy: -49.961
flat angles P-C4'-P energy: -29.336
tors. eta vs tors. theta energy: -43.047
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: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -657.242049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.242049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.242049 (E_RNA)
where:
Base-Base interactions energy: -442.227
where: short stacking energy: -177.419
Base-Backbone interact. energy: -2.594
local terms energy: -212.420521
where:
bonds (distance) C4'-P energy: -40.529
bonds (distance) P-C4' energy: -53.416
flat angles C4'-P-C4' energy: -51.761
flat angles P-C4'-P energy: -22.365
tors. eta vs tors. theta energy: -44.349
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: 46
Temperature: 1.150000
Total energy: -632.918884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.918884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.918884 (E_RNA)
where:
Base-Base interactions energy: -400.152
where: short stacking energy: -176.062
Base-Backbone interact. energy: -0.653
local terms energy: -232.113563
where:
bonds (distance) C4'-P energy: -49.095
bonds (distance) P-C4' energy: -56.412
flat angles C4'-P-C4' energy: -47.136
flat angles P-C4'-P energy: -28.693
tors. eta vs tors. theta energy: -50.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -549.606129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.606129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.606129 (E_RNA)
where:
Base-Base interactions energy: -354.317
where: short stacking energy: -166.525
Base-Backbone interact. energy: 0.981
local terms energy: -196.270279
where:
bonds (distance) C4'-P energy: -40.461
bonds (distance) P-C4' energy: -38.839
flat angles C4'-P-C4' energy: -46.275
flat angles P-C4'-P energy: -30.876
tors. eta vs tors. theta energy: -39.820
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: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -437.592329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.592329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.592329 (E_RNA)
where:
Base-Base interactions energy: -265.396
where: short stacking energy: -135.496
Base-Backbone interact. energy: -2.280
local terms energy: -169.916192
where:
bonds (distance) C4'-P energy: -26.542
bonds (distance) P-C4' energy: -46.614
flat angles C4'-P-C4' energy: -45.058
flat angles P-C4'-P energy: -32.806
tors. eta vs tors. theta energy: -18.897
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: 9, replica: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -223.674548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.674548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.674548 (E_RNA)
where:
Base-Base interactions energy: -76.446
where: short stacking energy: -72.040
Base-Backbone interact. energy: 0.198
local terms energy: -147.426180
where:
bonds (distance) C4'-P energy: -51.036
bonds (distance) P-C4' energy: -40.280
flat angles C4'-P-C4' energy: -24.989
flat angles P-C4'-P energy: -29.097
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -224.637384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.637384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.637384 (E_RNA)
where:
Base-Base interactions energy: -84.346
where: short stacking energy: -81.071
Base-Backbone interact. energy: -0.017
local terms energy: -140.274233
where:
bonds (distance) C4'-P energy: -37.373
bonds (distance) P-C4' energy: -38.718
flat angles C4'-P-C4' energy: -43.200
flat angles P-C4'-P energy: -23.128
tors. eta vs tors. theta energy: 2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -786.368020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.368020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.368020 (E_RNA)
where:
Base-Base interactions energy: -531.018
where: short stacking energy: -210.588
Base-Backbone interact. energy: -2.240
local terms energy: -253.110327
where:
bonds (distance) C4'-P energy: -54.337
bonds (distance) P-C4' energy: -52.164
flat angles C4'-P-C4' energy: -55.084
flat angles P-C4'-P energy: -32.182
tors. eta vs tors. theta energy: -59.344
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: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -805.117090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.117090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.117090 (E_RNA)
where:
Base-Base interactions energy: -548.875
where: short stacking energy: -264.936
Base-Backbone interact. energy: 0.976
local terms energy: -257.218107
where:
bonds (distance) C4'-P energy: -39.797
bonds (distance) P-C4' energy: -54.424
flat angles C4'-P-C4' energy: -57.182
flat angles P-C4'-P energy: -30.701
tors. eta vs tors. theta energy: -75.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -715.167753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.167753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.167753 (E_RNA)
where:
Base-Base interactions energy: -481.171
where: short stacking energy: -215.681
Base-Backbone interact. energy: -1.064
local terms energy: -232.932805
where:
bonds (distance) C4'-P energy: -39.828
bonds (distance) P-C4' energy: -46.817
flat angles C4'-P-C4' energy: -48.598
flat angles P-C4'-P energy: -29.866
tors. eta vs tors. theta energy: -67.824
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: 4, replica: 10
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -690.262095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.262095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.262095 (E_RNA)
where:
Base-Base interactions energy: -460.970
where: short stacking energy: -215.205
Base-Backbone interact. energy: -1.829
local terms energy: -227.462328
where:
bonds (distance) C4'-P energy: -49.344
bonds (distance) P-C4' energy: -48.700
flat angles C4'-P-C4' energy: -43.108
flat angles P-C4'-P energy: -30.415
tors. eta vs tors. theta energy: -55.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -679.792668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.792668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.792668 (E_RNA)
where:
Base-Base interactions energy: -456.756
where: short stacking energy: -197.431
Base-Backbone interact. energy: -2.304
local terms energy: -220.733054
where:
bonds (distance) C4'-P energy: -41.675
bonds (distance) P-C4' energy: -36.553
flat angles C4'-P-C4' energy: -48.462
flat angles P-C4'-P energy: -29.335
tors. eta vs tors. theta energy: -64.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -606.000963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.000963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.000963 (E_RNA)
where:
Base-Base interactions energy: -395.630
where: short stacking energy: -185.777
Base-Backbone interact. energy: 0.432
local terms energy: -210.803106
where:
bonds (distance) C4'-P energy: -46.887
bonds (distance) P-C4' energy: -35.453
flat angles C4'-P-C4' energy: -47.901
flat angles P-C4'-P energy: -33.125
tors. eta vs tors. theta energy: -47.436
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: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -574.152884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.152884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.152884 (E_RNA)
where:
Base-Base interactions energy: -358.661
where: short stacking energy: -168.526
Base-Backbone interact. energy: -1.471
local terms energy: -214.020256
where:
bonds (distance) C4'-P energy: -38.566
bonds (distance) P-C4' energy: -44.703
flat angles C4'-P-C4' energy: -39.921
flat angles P-C4'-P energy: -37.010
tors. eta vs tors. theta energy: -53.821
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: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -416.502367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.502367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.502367 (E_RNA)
where:
Base-Base interactions energy: -242.010
where: short stacking energy: -122.332
Base-Backbone interact. energy: 0.892
local terms energy: -175.384425
where:
bonds (distance) C4'-P energy: -36.675
bonds (distance) P-C4' energy: -39.163
flat angles C4'-P-C4' energy: -45.945
flat angles P-C4'-P energy: -32.952
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -234.591781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.591781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.591781 (E_RNA)
where:
Base-Base interactions energy: -79.345
where: short stacking energy: -59.963
Base-Backbone interact. energy: -0.625
local terms energy: -154.621501
where:
bonds (distance) C4'-P energy: -48.655
bonds (distance) P-C4' energy: -51.802
flat angles C4'-P-C4' energy: -33.942
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -5.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -215.741373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.741373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.741373 (E_RNA)
where:
Base-Base interactions energy: -81.202
where: short stacking energy: -62.699
Base-Backbone interact. energy: 0.679
local terms energy: -135.218639
where:
bonds (distance) C4'-P energy: -36.460
bonds (distance) P-C4' energy: -34.591
flat angles C4'-P-C4' energy: -36.037
flat angles P-C4'-P energy: -24.753
tors. eta vs tors. theta energy: -3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -833.795469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.795469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.795469 (E_RNA)
where:
Base-Base interactions energy: -559.849
where: short stacking energy: -269.734
Base-Backbone interact. energy: -0.223
local terms energy: -273.723583
where:
bonds (distance) C4'-P energy: -46.149
bonds (distance) P-C4' energy: -45.640
flat angles C4'-P-C4' energy: -61.665
flat angles P-C4'-P energy: -38.598
tors. eta vs tors. theta energy: -81.671
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: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -783.340086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.340086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.340086 (E_RNA)
where:
Base-Base interactions energy: -543.018
where: short stacking energy: -233.715
Base-Backbone interact. energy: 0.617
local terms energy: -240.939530
where:
bonds (distance) C4'-P energy: -44.749
bonds (distance) P-C4' energy: -48.673
flat angles C4'-P-C4' energy: -56.505
flat angles P-C4'-P energy: -38.292
tors. eta vs tors. theta energy: -52.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -700.707044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.707044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.707044 (E_RNA)
where:
Base-Base interactions energy: -450.945
where: short stacking energy: -239.208
Base-Backbone interact. energy: -0.419
local terms energy: -249.342830
where:
bonds (distance) C4'-P energy: -36.231
bonds (distance) P-C4' energy: -49.450
flat angles C4'-P-C4' energy: -57.214
flat angles P-C4'-P energy: -32.824
tors. eta vs tors. theta energy: -73.624
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: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -686.628858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.628858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.628858 (E_RNA)
where:
Base-Base interactions energy: -465.680
where: short stacking energy: -212.708
Base-Backbone interact. energy: -1.697
local terms energy: -219.252411
where:
bonds (distance) C4'-P energy: -38.285
bonds (distance) P-C4' energy: -47.624
flat angles C4'-P-C4' energy: -46.852
flat angles P-C4'-P energy: -33.850
tors. eta vs tors. theta energy: -52.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -658.193721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.193721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.193721 (E_RNA)
where:
Base-Base interactions energy: -437.473
where: short stacking energy: -199.928
Base-Backbone interact. energy: -0.558
local terms energy: -220.163244
where:
bonds (distance) C4'-P energy: -35.265
bonds (distance) P-C4' energy: -37.952
flat angles C4'-P-C4' energy: -51.113
flat angles P-C4'-P energy: -37.541
tors. eta vs tors. theta energy: -58.293
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: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -602.148909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.148909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.148909 (E_RNA)
where:
Base-Base interactions energy: -399.439
where: short stacking energy: -191.922
Base-Backbone interact. energy: -0.713
local terms energy: -201.997465
where:
bonds (distance) C4'-P energy: -33.970
bonds (distance) P-C4' energy: -49.240
flat angles C4'-P-C4' energy: -47.096
flat angles P-C4'-P energy: -28.884
tors. eta vs tors. theta energy: -42.808
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: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -523.878711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.878711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.878711 (E_RNA)
where:
Base-Base interactions energy: -314.740
where: short stacking energy: -152.611
Base-Backbone interact. energy: -0.567
local terms energy: -208.571687
where:
bonds (distance) C4'-P energy: -41.007
bonds (distance) P-C4' energy: -37.196
flat angles C4'-P-C4' energy: -55.127
flat angles P-C4'-P energy: -32.818
tors. eta vs tors. theta energy: -42.424
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: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -363.744466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.744466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.744466 (E_RNA)
where:
Base-Base interactions energy: -197.042
where: short stacking energy: -108.994
Base-Backbone interact. energy: -0.426
local terms energy: -166.276404
where:
bonds (distance) C4'-P energy: -47.321
bonds (distance) P-C4' energy: -33.907
flat angles C4'-P-C4' energy: -41.040
flat angles P-C4'-P energy: -27.200
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -294.548358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.548358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.548358 (E_RNA)
where:
Base-Base interactions energy: -126.190
where: short stacking energy: -80.328
Base-Backbone interact. energy: 1.001
local terms energy: -169.359367
where:
bonds (distance) C4'-P energy: -41.488
bonds (distance) P-C4' energy: -47.724
flat angles C4'-P-C4' energy: -41.856
flat angles P-C4'-P energy: -24.451
tors. eta vs tors. theta energy: -13.841
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: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -229.451928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.451928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.451928 (E_RNA)
where:
Base-Base interactions energy: -85.213
where: short stacking energy: -74.468
Base-Backbone interact. energy: -1.176
local terms energy: -143.063053
where:
bonds (distance) C4'-P energy: -43.886
bonds (distance) P-C4' energy: -45.322
flat angles C4'-P-C4' energy: -32.857
flat angles P-C4'-P energy: -21.460
tors. eta vs tors. theta energy: 0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -834.458390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.458390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.458390 (E_RNA)
where:
Base-Base interactions energy: -564.355
where: short stacking energy: -272.259
Base-Backbone interact. energy: -1.428
local terms energy: -268.674732
where:
bonds (distance) C4'-P energy: -46.234
bonds (distance) P-C4' energy: -51.972
flat angles C4'-P-C4' energy: -53.119
flat angles P-C4'-P energy: -41.199
tors. eta vs tors. theta energy: -76.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -769.110437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.110437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.110437 (E_RNA)
where:
Base-Base interactions energy: -520.547
where: short stacking energy: -219.200
Base-Backbone interact. energy: -0.444
local terms energy: -248.118944
where:
bonds (distance) C4'-P energy: -46.588
bonds (distance) P-C4' energy: -55.238
flat angles C4'-P-C4' energy: -54.656
flat angles P-C4'-P energy: -36.169
tors. eta vs tors. theta energy: -55.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -723.156012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.156012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.156012 (E_RNA)
where:
Base-Base interactions energy: -463.777
where: short stacking energy: -228.881
Base-Backbone interact. energy: -0.625
local terms energy: -258.753862
where:
bonds (distance) C4'-P energy: -46.798
bonds (distance) P-C4' energy: -58.978
flat angles C4'-P-C4' energy: -54.092
flat angles P-C4'-P energy: -32.587
tors. eta vs tors. theta energy: -66.299
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: 10
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -718.763215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.763215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.763215 (E_RNA)
where:
Base-Base interactions energy: -483.837
where: short stacking energy: -217.852
Base-Backbone interact. energy: -1.655
local terms energy: -233.270864
where:
bonds (distance) C4'-P energy: -46.806
bonds (distance) P-C4' energy: -50.536
flat angles C4'-P-C4' energy: -56.677
flat angles P-C4'-P energy: -30.480
tors. eta vs tors. theta energy: -48.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -690.303672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.303672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.303672 (E_RNA)
where:
Base-Base interactions energy: -464.321
where: short stacking energy: -201.406
Base-Backbone interact. energy: -1.746
local terms energy: -224.236173
where:
bonds (distance) C4'-P energy: -48.184
bonds (distance) P-C4' energy: -41.257
flat angles C4'-P-C4' energy: -48.748
flat angles P-C4'-P energy: -34.109
tors. eta vs tors. theta energy: -51.938
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: 49
Temperature: 1.150000
Total energy: -611.870938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.870938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.870938 (E_RNA)
where:
Base-Base interactions energy: -395.515
where: short stacking energy: -174.290
Base-Backbone interact. energy: -1.509
local terms energy: -214.846606
where:
bonds (distance) C4'-P energy: -41.365
bonds (distance) P-C4' energy: -51.984
flat angles C4'-P-C4' energy: -44.420
flat angles P-C4'-P energy: -35.656
tors. eta vs tors. theta energy: -41.421
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: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -526.845408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.845408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.845408 (E_RNA)
where:
Base-Base interactions energy: -337.402
where: short stacking energy: -154.023
Base-Backbone interact. energy: -1.682
local terms energy: -187.761134
where:
bonds (distance) C4'-P energy: -36.909
bonds (distance) P-C4' energy: -45.620
flat angles C4'-P-C4' energy: -37.767
flat angles P-C4'-P energy: -31.311
tors. eta vs tors. theta energy: -36.154
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: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -391.216975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.216975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.216975 (E_RNA)
where:
Base-Base interactions energy: -221.804
where: short stacking energy: -119.878
Base-Backbone interact. energy: -0.260
local terms energy: -169.153600
where:
bonds (distance) C4'-P energy: -43.901
bonds (distance) P-C4' energy: -37.607
flat angles C4'-P-C4' energy: -38.312
flat angles P-C4'-P energy: -30.176
tors. eta vs tors. theta energy: -19.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -304.386045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.386045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.386045 (E_RNA)
where:
Base-Base interactions energy: -153.157
where: short stacking energy: -85.827
Base-Backbone interact. energy: 1.826
local terms energy: -153.055252
where:
bonds (distance) C4'-P energy: -40.490
bonds (distance) P-C4' energy: -42.032
flat angles C4'-P-C4' energy: -41.150
flat angles P-C4'-P energy: -22.994
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -204.359964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.359964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.359964 (E_RNA)
where:
Base-Base interactions energy: -63.565
where: short stacking energy: -63.115
Base-Backbone interact. energy: -0.288
local terms energy: -140.506504
where:
bonds (distance) C4'-P energy: -34.330
bonds (distance) P-C4' energy: -39.712
flat angles C4'-P-C4' energy: -37.966
flat angles P-C4'-P energy: -30.290
tors. eta vs tors. theta energy: 1.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -823.661496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.661496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.661496 (E_RNA)
where:
Base-Base interactions energy: -548.686
where: short stacking energy: -262.191
Base-Backbone interact. energy: -0.556
local terms energy: -274.419246
where:
bonds (distance) C4'-P energy: -54.091
bonds (distance) P-C4' energy: -48.465
flat angles C4'-P-C4' energy: -52.538
flat angles P-C4'-P energy: -41.695
tors. eta vs tors. theta energy: -77.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -761.835768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.835768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.835768 (E_RNA)
where:
Base-Base interactions energy: -520.164
where: short stacking energy: -225.099
Base-Backbone interact. energy: 0.512
local terms energy: -242.184023
where:
bonds (distance) C4'-P energy: -46.947
bonds (distance) P-C4' energy: -54.825
flat angles C4'-P-C4' energy: -47.490
flat angles P-C4'-P energy: -32.198
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: 3, replica: 9
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -707.887459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.887459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.887459 (E_RNA)
where:
Base-Base interactions energy: -455.319
where: short stacking energy: -231.754
Base-Backbone interact. energy: -0.318
local terms energy: -252.251290
where:
bonds (distance) C4'-P energy: -45.791
bonds (distance) P-C4' energy: -45.728
flat angles C4'-P-C4' energy: -55.835
flat angles P-C4'-P energy: -39.642
tors. eta vs tors. theta energy: -65.256
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: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -678.178438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.178438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.178438 (E_RNA)
where:
Base-Base interactions energy: -476.058
where: short stacking energy: -180.459
Base-Backbone interact. energy: -2.004
local terms energy: -200.116651
where:
bonds (distance) C4'-P energy: -52.226
bonds (distance) P-C4' energy: -40.580
flat angles C4'-P-C4' energy: -44.650
flat angles P-C4'-P energy: -29.232
tors. eta vs tors. theta energy: -33.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -643.989468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.989468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.989468 (E_RNA)
where:
Base-Base interactions energy: -430.026
where: short stacking energy: -179.924
Base-Backbone interact. energy: -1.089
local terms energy: -212.873836
where:
bonds (distance) C4'-P energy: -46.782
bonds (distance) P-C4' energy: -43.431
flat angles C4'-P-C4' energy: -53.648
flat angles P-C4'-P energy: -27.800
tors. eta vs tors. theta energy: -41.213
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: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -663.789901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.789901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.789901 (E_RNA)
where:
Base-Base interactions energy: -445.898
where: short stacking energy: -185.650
Base-Backbone interact. energy: -1.308
local terms energy: -216.584107
where:
bonds (distance) C4'-P energy: -48.345
bonds (distance) P-C4' energy: -40.229
flat angles C4'-P-C4' energy: -46.321
flat angles P-C4'-P energy: -30.827
tors. eta vs tors. theta energy: -50.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -534.180306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.180306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.180306 (E_RNA)
where:
Base-Base interactions energy: -340.855
where: short stacking energy: -163.379
Base-Backbone interact. energy: -1.175
local terms energy: -192.149900
where:
bonds (distance) C4'-P energy: -42.057
bonds (distance) P-C4' energy: -41.724
flat angles C4'-P-C4' energy: -44.597
flat angles P-C4'-P energy: -34.026
tors. eta vs tors. theta energy: -29.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -379.560825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.560825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.560825 (E_RNA)
where:
Base-Base interactions energy: -224.841
where: short stacking energy: -124.683
Base-Backbone interact. energy: -1.673
local terms energy: -153.046701
where:
bonds (distance) C4'-P energy: -40.825
bonds (distance) P-C4' energy: -37.434
flat angles C4'-P-C4' energy: -35.788
flat angles P-C4'-P energy: -19.383
tors. eta vs tors. theta energy: -19.617
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: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -278.701053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.701053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.701053 (E_RNA)
where:
Base-Base interactions energy: -152.980
where: short stacking energy: -92.786
Base-Backbone interact. energy: 2.611
local terms energy: -128.332193
where:
bonds (distance) C4'-P energy: -38.005
bonds (distance) P-C4' energy: -37.077
flat angles C4'-P-C4' energy: -42.167
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -221.059606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.059606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.059606 (E_RNA)
where:
Base-Base interactions energy: -95.954
where: short stacking energy: -65.208
Base-Backbone interact. energy: 0.053
local terms energy: -125.158623
where:
bonds (distance) C4'-P energy: -41.477
bonds (distance) P-C4' energy: -51.553
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -12.605
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: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -816.060290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.060290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.060290 (E_RNA)
where:
Base-Base interactions energy: -551.865
where: short stacking energy: -268.641
Base-Backbone interact. energy: 0.897
local terms energy: -265.092286
where:
bonds (distance) C4'-P energy: -48.218
bonds (distance) P-C4' energy: -49.118
flat angles C4'-P-C4' energy: -53.898
flat angles P-C4'-P energy: -36.322
tors. eta vs tors. theta energy: -77.536
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: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -754.636524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.636524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.636524 (E_RNA)
where:
Base-Base interactions energy: -513.374
where: short stacking energy: -211.461
Base-Backbone interact. energy: -2.622
local terms energy: -238.640166
where:
bonds (distance) C4'-P energy: -47.307
bonds (distance) P-C4' energy: -49.758
flat angles C4'-P-C4' energy: -52.275
flat angles P-C4'-P energy: -36.832
tors. eta vs tors. theta energy: -52.469
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: 9
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -706.860211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.860211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.860211 (E_RNA)
where:
Base-Base interactions energy: -458.420
where: short stacking energy: -234.963
Base-Backbone interact. energy: -0.508
local terms energy: -247.932372
where:
bonds (distance) C4'-P energy: -44.321
bonds (distance) P-C4' energy: -45.620
flat angles C4'-P-C4' energy: -53.762
flat angles P-C4'-P energy: -31.604
tors. eta vs tors. theta energy: -72.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -674.404752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.404752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.404752 (E_RNA)
where:
Base-Base interactions energy: -450.770
where: short stacking energy: -184.525
Base-Backbone interact. energy: 0.255
local terms energy: -223.890346
where:
bonds (distance) C4'-P energy: -40.800
bonds (distance) P-C4' energy: -45.994
flat angles C4'-P-C4' energy: -53.397
flat angles P-C4'-P energy: -35.246
tors. eta vs tors. theta energy: -48.453
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: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -651.944150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.944150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.944150 (E_RNA)
where:
Base-Base interactions energy: -443.845
where: short stacking energy: -193.262
Base-Backbone interact. energy: -0.943
local terms energy: -207.156274
where:
bonds (distance) C4'-P energy: -42.322
bonds (distance) P-C4' energy: -40.122
flat angles C4'-P-C4' energy: -53.915
flat angles P-C4'-P energy: -32.506
tors. eta vs tors. theta energy: -38.292
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: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -645.352625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.352625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.352625 (E_RNA)
where:
Base-Base interactions energy: -427.952
where: short stacking energy: -188.377
Base-Backbone interact. energy: 1.678
local terms energy: -219.078566
where:
bonds (distance) C4'-P energy: -44.122
bonds (distance) P-C4' energy: -43.771
flat angles C4'-P-C4' energy: -49.042
flat angles P-C4'-P energy: -32.400
tors. eta vs tors. theta energy: -49.744
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: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -541.423183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.423183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.423183 (E_RNA)
where:
Base-Base interactions energy: -345.977
where: short stacking energy: -162.320
Base-Backbone interact. energy: -0.275
local terms energy: -195.171587
where:
bonds (distance) C4'-P energy: -40.961
bonds (distance) P-C4' energy: -39.976
flat angles C4'-P-C4' energy: -47.508
flat angles P-C4'-P energy: -35.572
tors. eta vs tors. theta energy: -31.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -391.257502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.257502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.257502 (E_RNA)
where:
Base-Base interactions energy: -228.411
where: short stacking energy: -117.586
Base-Backbone interact. energy: -0.619
local terms energy: -162.227218
where:
bonds (distance) C4'-P energy: -39.230
bonds (distance) P-C4' energy: -43.326
flat angles C4'-P-C4' energy: -42.459
flat angles P-C4'-P energy: -17.239
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -298.419806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.419806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.419806 (E_RNA)
where:
Base-Base interactions energy: -146.944
where: short stacking energy: -72.910
Base-Backbone interact. energy: 3.159
local terms energy: -154.634893
where:
bonds (distance) C4'-P energy: -35.681
bonds (distance) P-C4' energy: -40.564
flat angles C4'-P-C4' energy: -44.262
flat angles P-C4'-P energy: -25.255
tors. eta vs tors. theta energy: -8.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -261.697637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.697637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.697637 (E_RNA)
where:
Base-Base interactions energy: -125.496
where: short stacking energy: -71.237
Base-Backbone interact. energy: -0.867
local terms energy: -135.334425
where:
bonds (distance) C4'-P energy: -40.282
bonds (distance) P-C4' energy: -50.687
flat angles C4'-P-C4' energy: -34.403
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: 6.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -788.820783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.820783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.820783 (E_RNA)
where:
Base-Base interactions energy: -556.442
where: short stacking energy: -214.938
Base-Backbone interact. energy: -2.091
local terms energy: -230.287437
where:
bonds (distance) C4'-P energy: -38.413
bonds (distance) P-C4' energy: -52.197
flat angles C4'-P-C4' energy: -51.421
flat angles P-C4'-P energy: -37.887
tors. eta vs tors. theta energy: -50.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -779.690321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.690321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.690321 (E_RNA)
where:
Base-Base interactions energy: -537.416
where: short stacking energy: -238.578
Base-Backbone interact. energy: -1.227
local terms energy: -241.048017
where:
bonds (distance) C4'-P energy: -40.306
bonds (distance) P-C4' energy: -40.908
flat angles C4'-P-C4' energy: -51.404
flat angles P-C4'-P energy: -34.242
tors. eta vs tors. theta energy: -74.189
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: 9
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -714.577863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.577863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.577863 (E_RNA)
where:
Base-Base interactions energy: -470.294
where: short stacking energy: -225.301
Base-Backbone interact. energy: -0.066
local terms energy: -244.218100
where:
bonds (distance) C4'-P energy: -53.268
bonds (distance) P-C4' energy: -40.940
flat angles C4'-P-C4' energy: -48.826
flat angles P-C4'-P energy: -37.844
tors. eta vs tors. theta energy: -63.340
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: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -669.662188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.662188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.662188 (E_RNA)
where:
Base-Base interactions energy: -455.794
where: short stacking energy: -205.621
Base-Backbone interact. energy: -0.434
local terms energy: -213.434153
where:
bonds (distance) C4'-P energy: -41.993
bonds (distance) P-C4' energy: -45.556
flat angles C4'-P-C4' energy: -41.899
flat angles P-C4'-P energy: -37.452
tors. eta vs tors. theta energy: -46.533
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: 52
Temperature: 1.100000
Total energy: -635.769217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.769217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.769217 (E_RNA)
where:
Base-Base interactions energy: -427.710
where: short stacking energy: -186.001
Base-Backbone interact. energy: 0.853
local terms energy: -208.911623
where:
bonds (distance) C4'-P energy: -47.989
bonds (distance) P-C4' energy: -40.340
flat angles C4'-P-C4' energy: -37.360
flat angles P-C4'-P energy: -30.653
tors. eta vs tors. theta energy: -52.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -628.821000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.821000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.821000 (E_RNA)
where:
Base-Base interactions energy: -423.864
where: short stacking energy: -175.969
Base-Backbone interact. energy: -1.517
local terms energy: -203.440702
where:
bonds (distance) C4'-P energy: -49.494
bonds (distance) P-C4' energy: -45.554
flat angles C4'-P-C4' energy: -43.435
flat angles P-C4'-P energy: -26.298
tors. eta vs tors. theta energy: -38.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -585.920786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.920786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.920786 (E_RNA)
where:
Base-Base interactions energy: -378.754
where: short stacking energy: -173.969
Base-Backbone interact. energy: -0.489
local terms energy: -206.677735
where:
bonds (distance) C4'-P energy: -45.635
bonds (distance) P-C4' energy: -43.729
flat angles C4'-P-C4' energy: -45.308
flat angles P-C4'-P energy: -25.521
tors. eta vs tors. theta energy: -46.485
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: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -388.638360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.638360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.638360 (E_RNA)
where:
Base-Base interactions energy: -234.835
where: short stacking energy: -113.069
Base-Backbone interact. energy: 0.106
local terms energy: -153.909692
where:
bonds (distance) C4'-P energy: -41.157
bonds (distance) P-C4' energy: -44.708
flat angles C4'-P-C4' energy: -30.988
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -15.929
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: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -281.846129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.846129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.846129 (E_RNA)
where:
Base-Base interactions energy: -129.265
where: short stacking energy: -79.896
Base-Backbone interact. energy: -0.666
local terms energy: -151.915068
where:
bonds (distance) C4'-P energy: -42.437
bonds (distance) P-C4' energy: -38.133
flat angles C4'-P-C4' energy: -31.039
flat angles P-C4'-P energy: -28.819
tors. eta vs tors. theta energy: -11.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -252.732183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.732183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.732183 (E_RNA)
where:
Base-Base interactions energy: -122.948
where: short stacking energy: -75.050
Base-Backbone interact. energy: 0.141
local terms energy: -129.925698
where:
bonds (distance) C4'-P energy: -32.749
bonds (distance) P-C4' energy: -44.175
flat angles C4'-P-C4' energy: -40.337
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -5.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -776.850609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.850609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.850609 (E_RNA)
where:
Base-Base interactions energy: -534.709
where: short stacking energy: -226.136
Base-Backbone interact. energy: -0.312
local terms energy: -241.830082
where:
bonds (distance) C4'-P energy: -48.393
bonds (distance) P-C4' energy: -48.219
flat angles C4'-P-C4' energy: -56.039
flat angles P-C4'-P energy: -36.086
tors. eta vs tors. theta energy: -53.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -781.103048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.103048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.103048 (E_RNA)
where:
Base-Base interactions energy: -535.884
where: short stacking energy: -241.942
Base-Backbone interact. energy: -1.276
local terms energy: -243.943141
where:
bonds (distance) C4'-P energy: -38.732
bonds (distance) P-C4' energy: -42.325
flat angles C4'-P-C4' energy: -55.430
flat angles P-C4'-P energy: -37.827
tors. eta vs tors. theta energy: -69.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -737.455221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.455221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.455221 (E_RNA)
where:
Base-Base interactions energy: -492.206
where: short stacking energy: -236.873
Base-Backbone interact. energy: -0.051
local terms energy: -245.198139
where:
bonds (distance) C4'-P energy: -38.600
bonds (distance) P-C4' energy: -43.515
flat angles C4'-P-C4' energy: -58.382
flat angles P-C4'-P energy: -32.536
tors. eta vs tors. theta energy: -72.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -660.045778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.045778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.045778 (E_RNA)
where:
Base-Base interactions energy: -433.418
where: short stacking energy: -200.696
Base-Backbone interact. energy: -1.208
local terms energy: -225.419577
where:
bonds (distance) C4'-P energy: -35.783
bonds (distance) P-C4' energy: -52.306
flat angles C4'-P-C4' energy: -49.782
flat angles P-C4'-P energy: -37.273
tors. eta vs tors. theta energy: -50.275
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: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -642.865122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.865122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.865122 (E_RNA)
where:
Base-Base interactions energy: -435.951
where: short stacking energy: -171.884
Base-Backbone interact. energy: -1.916
local terms energy: -204.998093
where:
bonds (distance) C4'-P energy: -45.750
bonds (distance) P-C4' energy: -35.864
flat angles C4'-P-C4' energy: -39.085
flat angles P-C4'-P energy: -35.400
tors. eta vs tors. theta energy: -48.900
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: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -600.687852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.687852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.687852 (E_RNA)
where:
Base-Base interactions energy: -404.873
where: short stacking energy: -180.100
Base-Backbone interact. energy: -1.178
local terms energy: -194.637208
where:
bonds (distance) C4'-P energy: -27.763
bonds (distance) P-C4' energy: -44.253
flat angles C4'-P-C4' energy: -51.371
flat angles P-C4'-P energy: -26.635
tors. eta vs tors. theta energy: -44.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -630.210207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.210207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.210207 (E_RNA)
where:
Base-Base interactions energy: -430.606
where: short stacking energy: -189.211
Base-Backbone interact. energy: 5.483
local terms energy: -205.087854
where:
bonds (distance) C4'-P energy: -40.806
bonds (distance) P-C4' energy: -49.679
flat angles C4'-P-C4' energy: -40.734
flat angles P-C4'-P energy: -37.360
tors. eta vs tors. theta energy: -36.509
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: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -403.939718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.939718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.939718 (E_RNA)
where:
Base-Base interactions energy: -225.710
where: short stacking energy: -110.232
Base-Backbone interact. energy: -0.796
local terms energy: -177.433224
where:
bonds (distance) C4'-P energy: -38.595
bonds (distance) P-C4' energy: -46.181
flat angles C4'-P-C4' energy: -45.507
flat angles P-C4'-P energy: -23.719
tors. eta vs tors. theta energy: -23.431
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: 5
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -287.890608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.890608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.890608 (E_RNA)
where:
Base-Base interactions energy: -139.833
where: short stacking energy: -110.280
Base-Backbone interact. energy: -0.636
local terms energy: -147.421560
where:
bonds (distance) C4'-P energy: -39.832
bonds (distance) P-C4' energy: -41.067
flat angles C4'-P-C4' energy: -30.597
flat angles P-C4'-P energy: -29.689
tors. eta vs tors. theta energy: -6.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -223.561501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.561501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.561501 (E_RNA)
where:
Base-Base interactions energy: -86.374
where: short stacking energy: -74.889
Base-Backbone interact. energy: -1.158
local terms energy: -136.029892
where:
bonds (distance) C4'-P energy: -40.909
bonds (distance) P-C4' energy: -39.281
flat angles C4'-P-C4' energy: -37.586
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -799.731935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.731935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.731935 (E_RNA)
where:
Base-Base interactions energy: -546.489
where: short stacking energy: -259.983
Base-Backbone interact. energy: -0.373
local terms energy: -252.869364
where:
bonds (distance) C4'-P energy: -48.620
bonds (distance) P-C4' energy: -43.944
flat angles C4'-P-C4' energy: -54.491
flat angles P-C4'-P energy: -35.786
tors. eta vs tors. theta energy: -70.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -753.412040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.412040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.412040 (E_RNA)
where:
Base-Base interactions energy: -529.860
where: short stacking energy: -220.589
Base-Backbone interact. energy: -0.836
local terms energy: -222.715433
where:
bonds (distance) C4'-P energy: -44.116
bonds (distance) P-C4' energy: -41.150
flat angles C4'-P-C4' energy: -49.213
flat angles P-C4'-P energy: -33.538
tors. eta vs tors. theta energy: -54.698
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: 3, replica: 9
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -714.814677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.814677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.814677 (E_RNA)
where:
Base-Base interactions energy: -482.760
where: short stacking energy: -230.458
Base-Backbone interact. energy: -0.911
local terms energy: -231.143029
where:
bonds (distance) C4'-P energy: -43.002
bonds (distance) P-C4' energy: -40.898
flat angles C4'-P-C4' energy: -52.578
flat angles P-C4'-P energy: -27.933
tors. eta vs tors. theta energy: -66.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -708.260120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.260120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.260120 (E_RNA)
where:
Base-Base interactions energy: -481.315
where: short stacking energy: -194.489
Base-Backbone interact. energy: 1.343
local terms energy: -228.288541
where:
bonds (distance) C4'-P energy: -49.965
bonds (distance) P-C4' energy: -48.665
flat angles C4'-P-C4' energy: -46.073
flat angles P-C4'-P energy: -31.290
tors. eta vs tors. theta energy: -52.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -639.230211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.230211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.230211 (E_RNA)
where:
Base-Base interactions energy: -439.358
where: short stacking energy: -183.762
Base-Backbone interact. energy: -2.549
local terms energy: -197.323889
where:
bonds (distance) C4'-P energy: -30.998
bonds (distance) P-C4' energy: -47.123
flat angles C4'-P-C4' energy: -41.569
flat angles P-C4'-P energy: -23.994
tors. eta vs tors. theta energy: -53.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -622.515938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.515938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.515938 (E_RNA)
where:
Base-Base interactions energy: -412.149
where: short stacking energy: -194.237
Base-Backbone interact. energy: -3.099
local terms energy: -207.267517
where:
bonds (distance) C4'-P energy: -44.286
bonds (distance) P-C4' energy: -38.379
flat angles C4'-P-C4' energy: -52.056
flat angles P-C4'-P energy: -25.990
tors. eta vs tors. theta energy: -46.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -604.799623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.799623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.799623 (E_RNA)
where:
Base-Base interactions energy: -402.163
where: short stacking energy: -179.330
Base-Backbone interact. energy: 0.258
local terms energy: -202.894861
where:
bonds (distance) C4'-P energy: -46.104
bonds (distance) P-C4' energy: -36.170
flat angles C4'-P-C4' energy: -46.876
flat angles P-C4'-P energy: -36.461
tors. eta vs tors. theta energy: -37.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -342.502335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.502335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.502335 (E_RNA)
where:
Base-Base interactions energy: -186.379
where: short stacking energy: -111.181
Base-Backbone interact. energy: 0.142
local terms energy: -156.265215
where:
bonds (distance) C4'-P energy: -34.303
bonds (distance) P-C4' energy: -46.444
flat angles C4'-P-C4' energy: -35.002
flat angles P-C4'-P energy: -27.964
tors. eta vs tors. theta energy: -12.552
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: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -234.959000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.959000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.959000 (E_RNA)
where:
Base-Base interactions energy: -110.591
where: short stacking energy: -106.538
Base-Backbone interact. energy: -1.019
local terms energy: -123.349266
where:
bonds (distance) C4'-P energy: -29.852
bonds (distance) P-C4' energy: -36.542
flat angles C4'-P-C4' energy: -25.288
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -15.782
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: 5
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -238.427575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.427575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.427575 (E_RNA)
where:
Base-Base interactions energy: -90.329
where: short stacking energy: -74.444
Base-Backbone interact. energy: -0.433
local terms energy: -147.665567
where:
bonds (distance) C4'-P energy: -39.535
bonds (distance) P-C4' energy: -46.117
flat angles C4'-P-C4' energy: -31.204
flat angles P-C4'-P energy: -26.618
tors. eta vs tors. theta energy: -4.192
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: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -809.318205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.318205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.318205 (E_RNA)
where:
Base-Base interactions energy: -544.443
where: short stacking energy: -261.004
Base-Backbone interact. energy: -0.853
local terms energy: -264.021425
where:
bonds (distance) C4'-P energy: -48.266
bonds (distance) P-C4' energy: -46.910
flat angles C4'-P-C4' energy: -56.332
flat angles P-C4'-P energy: -38.118
tors. eta vs tors. theta energy: -74.397
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: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -757.922913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.922913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.922913 (E_RNA)
where:
Base-Base interactions energy: -536.586
where: short stacking energy: -222.444
Base-Backbone interact. energy: -2.239
local terms energy: -219.097710
where:
bonds (distance) C4'-P energy: -41.216
bonds (distance) P-C4' energy: -47.967
flat angles C4'-P-C4' energy: -54.083
flat angles P-C4'-P energy: -27.792
tors. eta vs tors. theta energy: -48.039
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: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -715.934343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.934343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.934343 (E_RNA)
where:
Base-Base interactions energy: -460.614
where: short stacking energy: -216.336
Base-Backbone interact. energy: -1.123
local terms energy: -254.197350
where:
bonds (distance) C4'-P energy: -45.895
bonds (distance) P-C4' energy: -50.672
flat angles C4'-P-C4' energy: -57.489
flat angles P-C4'-P energy: -35.467
tors. eta vs tors. theta energy: -64.674
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: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -690.887133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.887133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.887133 (E_RNA)
where:
Base-Base interactions energy: -469.515
where: short stacking energy: -193.003
Base-Backbone interact. energy: -0.404
local terms energy: -220.967459
where:
bonds (distance) C4'-P energy: -40.804
bonds (distance) P-C4' energy: -51.327
flat angles C4'-P-C4' energy: -48.604
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: -52.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -630.244210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.244210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.244210 (E_RNA)
where:
Base-Base interactions energy: -410.723
where: short stacking energy: -199.221
Base-Backbone interact. energy: -1.434
local terms energy: -218.087067
where:
bonds (distance) C4'-P energy: -42.940
bonds (distance) P-C4' energy: -48.834
flat angles C4'-P-C4' energy: -49.678
flat angles P-C4'-P energy: -27.819
tors. eta vs tors. theta energy: -48.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -650.594727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.594727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.594727 (E_RNA)
where:
Base-Base interactions energy: -452.352
where: short stacking energy: -181.873
Base-Backbone interact. energy: 0.568
local terms energy: -198.810930
where:
bonds (distance) C4'-P energy: -40.031
bonds (distance) P-C4' energy: -43.832
flat angles C4'-P-C4' energy: -42.180
flat angles P-C4'-P energy: -34.454
tors. eta vs tors. theta energy: -38.314
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: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -602.534947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.534947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.534947 (E_RNA)
where:
Base-Base interactions energy: -387.806
where: short stacking energy: -190.067
Base-Backbone interact. energy: 1.330
local terms energy: -216.059256
where:
bonds (distance) C4'-P energy: -36.265
bonds (distance) P-C4' energy: -51.189
flat angles C4'-P-C4' energy: -43.171
flat angles P-C4'-P energy: -32.157
tors. eta vs tors. theta energy: -53.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -341.039540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.039540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.039540 (E_RNA)
where:
Base-Base interactions energy: -169.603
where: short stacking energy: -113.288
Base-Backbone interact. energy: 1.752
local terms energy: -173.188474
where:
bonds (distance) C4'-P energy: -42.151
bonds (distance) P-C4' energy: -42.600
flat angles C4'-P-C4' energy: -52.719
flat angles P-C4'-P energy: -30.699
tors. eta vs tors. theta energy: -5.020
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: 9, replica: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -267.041176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.041176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.041176 (E_RNA)
where:
Base-Base interactions energy: -115.664
where: short stacking energy: -83.367
Base-Backbone interact. energy: 3.096
local terms energy: -154.472596
where:
bonds (distance) C4'-P energy: -36.480
bonds (distance) P-C4' energy: -40.954
flat angles C4'-P-C4' energy: -34.505
flat angles P-C4'-P energy: -35.182
tors. eta vs tors. theta energy: -7.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -262.138236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.138236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.138236 (E_RNA)
where:
Base-Base interactions energy: -115.480
where: short stacking energy: -73.298
Base-Backbone interact. energy: 1.872
local terms energy: -148.529901
where:
bonds (distance) C4'-P energy: -37.400
bonds (distance) P-C4' energy: -48.337
flat angles C4'-P-C4' energy: -33.680
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -11.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -808.837639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.837639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.837639 (E_RNA)
where:
Base-Base interactions energy: -538.305
where: short stacking energy: -263.869
Base-Backbone interact. energy: -1.688
local terms energy: -268.844217
where:
bonds (distance) C4'-P energy: -47.179
bonds (distance) P-C4' energy: -45.456
flat angles C4'-P-C4' energy: -52.228
flat angles P-C4'-P energy: -45.144
tors. eta vs tors. theta energy: -78.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -746.813078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.813078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.813078 (E_RNA)
where:
Base-Base interactions energy: -516.267
where: short stacking energy: -203.908
Base-Backbone interact. energy: -2.372
local terms energy: -228.174794
where:
bonds (distance) C4'-P energy: -39.516
bonds (distance) P-C4' energy: -54.684
flat angles C4'-P-C4' energy: -58.746
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: -49.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -696.365495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.365495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.365495 (E_RNA)
where:
Base-Base interactions energy: -466.712
where: short stacking energy: -219.740
Base-Backbone interact. energy: -0.241
local terms energy: -229.412296
where:
bonds (distance) C4'-P energy: -38.231
bonds (distance) P-C4' energy: -44.251
flat angles C4'-P-C4' energy: -51.449
flat angles P-C4'-P energy: -31.648
tors. eta vs tors. theta energy: -63.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -699.169607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.169607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.169607 (E_RNA)
where:
Base-Base interactions energy: -452.913
where: short stacking energy: -220.376
Base-Backbone interact. energy: -0.979
local terms energy: -245.278305
where:
bonds (distance) C4'-P energy: -43.375
bonds (distance) P-C4' energy: -38.220
flat angles C4'-P-C4' energy: -55.504
flat angles P-C4'-P energy: -37.023
tors. eta vs tors. theta energy: -71.156
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: 5, replica: 10
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -668.328577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.328577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.328577 (E_RNA)
where:
Base-Base interactions energy: -443.607
where: short stacking energy: -192.717
Base-Backbone interact. energy: 0.255
local terms energy: -224.976627
where:
bonds (distance) C4'-P energy: -51.106
bonds (distance) P-C4' energy: -50.789
flat angles C4'-P-C4' energy: -46.683
flat angles P-C4'-P energy: -27.305
tors. eta vs tors. theta energy: -49.094
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: 56
Temperature: 1.150000
Total energy: -609.266847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.266847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.266847 (E_RNA)
where:
Base-Base interactions energy: -404.322
where: short stacking energy: -184.604
Base-Backbone interact. energy: 0.968
local terms energy: -205.913184
where:
bonds (distance) C4'-P energy: -38.579
bonds (distance) P-C4' energy: -41.345
flat angles C4'-P-C4' energy: -49.732
flat angles P-C4'-P energy: -32.854
tors. eta vs tors. theta energy: -43.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -638.311716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.311716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.311716 (E_RNA)
where:
Base-Base interactions energy: -414.719
where: short stacking energy: -195.432
Base-Backbone interact. energy: -1.367
local terms energy: -222.225344
where:
bonds (distance) C4'-P energy: -38.115
bonds (distance) P-C4' energy: -49.994
flat angles C4'-P-C4' energy: -40.776
flat angles P-C4'-P energy: -30.002
tors. eta vs tors. theta energy: -63.338
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: 56
Temperature: 1.250000
Total energy: -318.973872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.973872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.973872 (E_RNA)
where:
Base-Base interactions energy: -157.161
where: short stacking energy: -100.169
Base-Backbone interact. energy: -1.029
local terms energy: -160.783671
where:
bonds (distance) C4'-P energy: -40.012
bonds (distance) P-C4' energy: -40.662
flat angles C4'-P-C4' energy: -43.130
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -11.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -297.502420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.502420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.502420 (E_RNA)
where:
Base-Base interactions energy: -146.267
where: short stacking energy: -90.209
Base-Backbone interact. energy: -1.705
local terms energy: -149.530383
where:
bonds (distance) C4'-P energy: -35.806
bonds (distance) P-C4' energy: -44.938
flat angles C4'-P-C4' energy: -39.032
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -9.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -221.155815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.155815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.155815 (E_RNA)
where:
Base-Base interactions energy: -102.067
where: short stacking energy: -63.520
Base-Backbone interact. energy: 1.675
local terms energy: -120.764371
where:
bonds (distance) C4'-P energy: -40.643
bonds (distance) P-C4' energy: -35.976
flat angles C4'-P-C4' energy: -32.067
flat angles P-C4'-P energy: -17.306
tors. eta vs tors. theta energy: 5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -811.289979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.289979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.289979 (E_RNA)
where:
Base-Base interactions energy: -537.318
where: short stacking energy: -250.006
Base-Backbone interact. energy: -1.500
local terms energy: -272.472413
where:
bonds (distance) C4'-P energy: -53.393
bonds (distance) P-C4' energy: -48.206
flat angles C4'-P-C4' energy: -56.826
flat angles P-C4'-P energy: -37.610
tors. eta vs tors. theta energy: -76.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -724.138590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.138590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.138590 (E_RNA)
where:
Base-Base interactions energy: -493.584
where: short stacking energy: -219.955
Base-Backbone interact. energy: -1.017
local terms energy: -229.537066
where:
bonds (distance) C4'-P energy: -47.769
bonds (distance) P-C4' energy: -45.270
flat angles C4'-P-C4' energy: -48.860
flat angles P-C4'-P energy: -33.192
tors. eta vs tors. theta energy: -54.447
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: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -680.911004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.911004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.911004 (E_RNA)
where:
Base-Base interactions energy: -460.584
where: short stacking energy: -209.825
Base-Backbone interact. energy: 0.318
local terms energy: -220.644828
where:
bonds (distance) C4'-P energy: -33.889
bonds (distance) P-C4' energy: -42.063
flat angles C4'-P-C4' energy: -48.808
flat angles P-C4'-P energy: -38.788
tors. eta vs tors. theta energy: -57.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -685.403972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.403972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.403972 (E_RNA)
where:
Base-Base interactions energy: -454.272
where: short stacking energy: -202.781
Base-Backbone interact. energy: -1.672
local terms energy: -229.459419
where:
bonds (distance) C4'-P energy: -44.530
bonds (distance) P-C4' energy: -45.326
flat angles C4'-P-C4' energy: -51.068
flat angles P-C4'-P energy: -33.941
tors. eta vs tors. theta energy: -54.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -693.086660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.086660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.086660 (E_RNA)
where:
Base-Base interactions energy: -470.276
where: short stacking energy: -219.923
Base-Backbone interact. energy: -0.164
local terms energy: -222.646565
where:
bonds (distance) C4'-P energy: -34.494
bonds (distance) P-C4' energy: -43.540
flat angles C4'-P-C4' energy: -47.928
flat angles P-C4'-P energy: -27.333
tors. eta vs tors. theta energy: -69.352
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: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -646.572301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.572301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.572301 (E_RNA)
where:
Base-Base interactions energy: -430.167
where: short stacking energy: -199.718
Base-Backbone interact. energy: 2.577
local terms energy: -218.982292
where:
bonds (distance) C4'-P energy: -42.551
bonds (distance) P-C4' energy: -43.189
flat angles C4'-P-C4' energy: -48.489
flat angles P-C4'-P energy: -26.563
tors. eta vs tors. theta energy: -58.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -605.079708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.079708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.079708 (E_RNA)
where:
Base-Base interactions energy: -373.513
where: short stacking energy: -189.259
Base-Backbone interact. energy: -1.145
local terms energy: -230.421324
where:
bonds (distance) C4'-P energy: -45.857
bonds (distance) P-C4' energy: -50.877
flat angles C4'-P-C4' energy: -40.375
flat angles P-C4'-P energy: -42.248
tors. eta vs tors. theta energy: -51.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -296.868436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.868436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.868436 (E_RNA)
where:
Base-Base interactions energy: -149.402
where: short stacking energy: -100.877
Base-Backbone interact. energy: -0.624
local terms energy: -146.843036
where:
bonds (distance) C4'-P energy: -46.954
bonds (distance) P-C4' energy: -44.958
flat angles C4'-P-C4' energy: -28.435
flat angles P-C4'-P energy: -23.195
tors. eta vs tors. theta energy: -3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -236.909193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.909193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.909193 (E_RNA)
where:
Base-Base interactions energy: -81.348
where: short stacking energy: -65.825
Base-Backbone interact. energy: -0.047
local terms energy: -155.514971
where:
bonds (distance) C4'-P energy: -39.447
bonds (distance) P-C4' energy: -46.579
flat angles C4'-P-C4' energy: -37.934
flat angles P-C4'-P energy: -26.742
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -247.218859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.218859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.218859 (E_RNA)
where:
Base-Base interactions energy: -97.108
where: short stacking energy: -86.734
Base-Backbone interact. energy: 1.085
local terms energy: -151.195753
where:
bonds (distance) C4'-P energy: -41.475
bonds (distance) P-C4' energy: -37.123
flat angles C4'-P-C4' energy: -43.820
flat angles P-C4'-P energy: -24.384
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -802.922940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.922940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.922940 (E_RNA)
where:
Base-Base interactions energy: -537.936
where: short stacking energy: -258.355
Base-Backbone interact. energy: -0.492
local terms energy: -264.495070
where:
bonds (distance) C4'-P energy: -48.200
bonds (distance) P-C4' energy: -49.455
flat angles C4'-P-C4' energy: -55.913
flat angles P-C4'-P energy: -36.388
tors. eta vs tors. theta energy: -74.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -728.815566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.815566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.815566 (E_RNA)
where:
Base-Base interactions energy: -497.038
where: short stacking energy: -226.453
Base-Backbone interact. energy: 1.275
local terms energy: -233.052685
where:
bonds (distance) C4'-P energy: -36.811
bonds (distance) P-C4' energy: -55.606
flat angles C4'-P-C4' energy: -54.591
flat angles P-C4'-P energy: -33.872
tors. eta vs tors. theta energy: -52.172
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: 58
Temperature: 1.000000
Total energy: -732.086982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.086982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.086982 (E_RNA)
where:
Base-Base interactions energy: -483.533
where: short stacking energy: -226.593
Base-Backbone interact. energy: -1.905
local terms energy: -246.648965
where:
bonds (distance) C4'-P energy: -50.171
bonds (distance) P-C4' energy: -54.826
flat angles C4'-P-C4' energy: -50.628
flat angles P-C4'-P energy: -32.767
tors. eta vs tors. theta energy: -58.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -692.172277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.172277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.172277 (E_RNA)
where:
Base-Base interactions energy: -462.009
where: short stacking energy: -203.204
Base-Backbone interact. energy: -0.617
local terms energy: -229.545788
where:
bonds (distance) C4'-P energy: -40.170
bonds (distance) P-C4' energy: -47.089
flat angles C4'-P-C4' energy: -48.419
flat angles P-C4'-P energy: -30.512
tors. eta vs tors. theta energy: -63.356
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: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -697.492548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.492548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.492548 (E_RNA)
where:
Base-Base interactions energy: -454.190
where: short stacking energy: -224.941
Base-Backbone interact. energy: -1.029
local terms energy: -242.273719
where:
bonds (distance) C4'-P energy: -43.910
bonds (distance) P-C4' energy: -42.134
flat angles C4'-P-C4' energy: -44.548
flat angles P-C4'-P energy: -38.980
tors. eta vs tors. theta energy: -72.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -623.579796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.579796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.579796 (E_RNA)
where:
Base-Base interactions energy: -414.140
where: short stacking energy: -199.828
Base-Backbone interact. energy: -0.211
local terms energy: -209.228449
where:
bonds (distance) C4'-P energy: -49.049
bonds (distance) P-C4' energy: -35.668
flat angles C4'-P-C4' energy: -42.250
flat angles P-C4'-P energy: -37.875
tors. eta vs tors. theta energy: -44.387
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: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -600.328747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.328747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.328747 (E_RNA)
where:
Base-Base interactions energy: -401.704
where: short stacking energy: -196.454
Base-Backbone interact. energy: -0.317
local terms energy: -198.307785
where:
bonds (distance) C4'-P energy: -38.973
bonds (distance) P-C4' energy: -44.311
flat angles C4'-P-C4' energy: -45.077
flat angles P-C4'-P energy: -19.854
tors. eta vs tors. theta energy: -50.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -303.828119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.828119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.828119 (E_RNA)
where:
Base-Base interactions energy: -150.451
where: short stacking energy: -85.654
Base-Backbone interact. energy: -1.962
local terms energy: -151.415150
where:
bonds (distance) C4'-P energy: -41.730
bonds (distance) P-C4' energy: -45.095
flat angles C4'-P-C4' energy: -34.381
flat angles P-C4'-P energy: -29.626
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -223.672132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.672132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.672132 (E_RNA)
where:
Base-Base interactions energy: -81.497
where: short stacking energy: -61.315
Base-Backbone interact. energy: 1.258
local terms energy: -143.433179
where:
bonds (distance) C4'-P energy: -27.247
bonds (distance) P-C4' energy: -49.205
flat angles C4'-P-C4' energy: -45.344
flat angles P-C4'-P energy: -27.244
tors. eta vs tors. theta energy: 5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -227.196473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.196473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.196473 (E_RNA)
where:
Base-Base interactions energy: -108.554
where: short stacking energy: -66.383
Base-Backbone interact. energy: -1.476
local terms energy: -117.166607
where:
bonds (distance) C4'-P energy: -29.026
bonds (distance) P-C4' energy: -36.246
flat angles C4'-P-C4' energy: -40.869
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: 5.648
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: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -802.711019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.711019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.711019 (E_RNA)
where:
Base-Base interactions energy: -547.807
where: short stacking energy: -257.433
Base-Backbone interact. energy: 0.178
local terms energy: -255.082461
where:
bonds (distance) C4'-P energy: -50.721
bonds (distance) P-C4' energy: -38.884
flat angles C4'-P-C4' energy: -54.621
flat angles P-C4'-P energy: -38.726
tors. eta vs tors. theta energy: -72.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -732.330443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.330443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.330443 (E_RNA)
where:
Base-Base interactions energy: -495.769
where: short stacking energy: -208.376
Base-Backbone interact. energy: -0.857
local terms energy: -235.704552
where:
bonds (distance) C4'-P energy: -46.534
bonds (distance) P-C4' energy: -45.995
flat angles C4'-P-C4' energy: -49.125
flat angles P-C4'-P energy: -35.389
tors. eta vs tors. theta energy: -58.662
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: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -699.704210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.704210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.704210 (E_RNA)
where:
Base-Base interactions energy: -470.512
where: short stacking energy: -219.486
Base-Backbone interact. energy: 1.086
local terms energy: -230.278707
where:
bonds (distance) C4'-P energy: -48.714
bonds (distance) P-C4' energy: -43.650
flat angles C4'-P-C4' energy: -51.756
flat angles P-C4'-P energy: -34.238
tors. eta vs tors. theta energy: -51.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -692.788870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.788870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.788870 (E_RNA)
where:
Base-Base interactions energy: -468.887
where: short stacking energy: -198.621
Base-Backbone interact. energy: -0.738
local terms energy: -223.163511
where:
bonds (distance) C4'-P energy: -52.047
bonds (distance) P-C4' energy: -43.592
flat angles C4'-P-C4' energy: -45.142
flat angles P-C4'-P energy: -23.194
tors. eta vs tors. theta energy: -59.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -683.370637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.370637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.370637 (E_RNA)
where:
Base-Base interactions energy: -449.057
where: short stacking energy: -213.393
Base-Backbone interact. energy: -0.175
local terms energy: -234.138160
where:
bonds (distance) C4'-P energy: -42.561
bonds (distance) P-C4' energy: -48.821
flat angles C4'-P-C4' energy: -44.716
flat angles P-C4'-P energy: -33.055
tors. eta vs tors. theta energy: -64.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -624.905896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.905896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.905896 (E_RNA)
where:
Base-Base interactions energy: -421.417
where: short stacking energy: -182.582
Base-Backbone interact. energy: -1.341
local terms energy: -202.147296
where:
bonds (distance) C4'-P energy: -36.336
bonds (distance) P-C4' energy: -46.091
flat angles C4'-P-C4' energy: -50.517
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -46.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -538.810334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.810334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.810334 (E_RNA)
where:
Base-Base interactions energy: -338.882
where: short stacking energy: -174.877
Base-Backbone interact. energy: -1.618
local terms energy: -198.310675
where:
bonds (distance) C4'-P energy: -44.211
bonds (distance) P-C4' energy: -47.335
flat angles C4'-P-C4' energy: -41.062
flat angles P-C4'-P energy: -23.400
tors. eta vs tors. theta energy: -42.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -260.246416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.246416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.246416 (E_RNA)
where:
Base-Base interactions energy: -109.879
where: short stacking energy: -92.769
Base-Backbone interact. energy: -1.886
local terms energy: -148.481792
where:
bonds (distance) C4'-P energy: -46.882
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -41.620
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -272.523180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.523180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.523180 (E_RNA)
where:
Base-Base interactions energy: -128.895
where: short stacking energy: -93.850
Base-Backbone interact. energy: -0.756
local terms energy: -142.871433
where:
bonds (distance) C4'-P energy: -35.116
bonds (distance) P-C4' energy: -46.618
flat angles C4'-P-C4' energy: -36.355
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -11.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -249.571881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.571881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.571881 (E_RNA)
where:
Base-Base interactions energy: -112.590
where: short stacking energy: -74.662
Base-Backbone interact. energy: 0.285
local terms energy: -137.266586
where:
bonds (distance) C4'-P energy: -45.700
bonds (distance) P-C4' energy: -42.813
flat angles C4'-P-C4' energy: -35.685
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -766.575280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.575280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.575280 (E_RNA)
where:
Base-Base interactions energy: -510.677
where: short stacking energy: -240.990
Base-Backbone interact. energy: -0.908
local terms energy: -254.990515
where:
bonds (distance) C4'-P energy: -47.180
bonds (distance) P-C4' energy: -54.345
flat angles C4'-P-C4' energy: -57.863
flat angles P-C4'-P energy: -32.607
tors. eta vs tors. theta energy: -62.996
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: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -806.773718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.773718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.773718 (E_RNA)
where:
Base-Base interactions energy: -549.097
where: short stacking energy: -266.930
Base-Backbone interact. energy: -0.088
local terms energy: -257.588839
where:
bonds (distance) C4'-P energy: -52.410
bonds (distance) P-C4' energy: -43.604
flat angles C4'-P-C4' energy: -52.930
flat angles P-C4'-P energy: -33.824
tors. eta vs tors. theta energy: -74.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -706.104581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.104581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.104581 (E_RNA)
where:
Base-Base interactions energy: -477.912
where: short stacking energy: -200.913
Base-Backbone interact. energy: 0.017
local terms energy: -228.208798
where:
bonds (distance) C4'-P energy: -49.207
bonds (distance) P-C4' energy: -49.076
flat angles C4'-P-C4' energy: -46.089
flat angles P-C4'-P energy: -32.151
tors. eta vs tors. theta energy: -51.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -688.022668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.022668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.022668 (E_RNA)
where:
Base-Base interactions energy: -470.325
where: short stacking energy: -206.543
Base-Backbone interact. energy: 1.754
local terms energy: -219.452047
where:
bonds (distance) C4'-P energy: -42.970
bonds (distance) P-C4' energy: -50.794
flat angles C4'-P-C4' energy: -47.883
flat angles P-C4'-P energy: -24.759
tors. eta vs tors. theta energy: -53.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -666.446298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.446298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.446298 (E_RNA)
where:
Base-Base interactions energy: -425.012
where: short stacking energy: -206.636
Base-Backbone interact. energy: -0.152
local terms energy: -241.282481
where:
bonds (distance) C4'-P energy: -48.813
bonds (distance) P-C4' energy: -49.761
flat angles C4'-P-C4' energy: -47.951
flat angles P-C4'-P energy: -35.748
tors. eta vs tors. theta energy: -59.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -632.752479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.752479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.752479 (E_RNA)
where:
Base-Base interactions energy: -410.077
where: short stacking energy: -191.549
Base-Backbone interact. energy: -0.953
local terms energy: -221.723431
where:
bonds (distance) C4'-P energy: -38.821
bonds (distance) P-C4' energy: -45.311
flat angles C4'-P-C4' energy: -44.236
flat angles P-C4'-P energy: -29.315
tors. eta vs tors. theta energy: -64.041
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: 60
Temperature: 1.200000
Total energy: -587.275224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.275224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.275224 (E_RNA)
where:
Base-Base interactions energy: -390.233
where: short stacking energy: -187.282
Base-Backbone interact. energy: 0.341
local terms energy: -197.382690
where:
bonds (distance) C4'-P energy: -38.032
bonds (distance) P-C4' energy: -45.428
flat angles C4'-P-C4' energy: -37.545
flat angles P-C4'-P energy: -28.559
tors. eta vs tors. theta energy: -47.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -270.277295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.277295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.277295 (E_RNA)
where:
Base-Base interactions energy: -134.716
where: short stacking energy: -77.000
Base-Backbone interact. energy: -0.459
local terms energy: -135.101875
where:
bonds (distance) C4'-P energy: -46.113
bonds (distance) P-C4' energy: -48.759
flat angles C4'-P-C4' energy: -23.491
flat angles P-C4'-P energy: -21.568
tors. eta vs tors. theta energy: 4.828
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: 60
Temperature: 1.300000
Total energy: -321.400137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.400137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.400137 (E_RNA)
where:
Base-Base interactions energy: -179.217
where: short stacking energy: -85.116
Base-Backbone interact. energy: 0.426
local terms energy: -142.608837
where:
bonds (distance) C4'-P energy: -41.414
bonds (distance) P-C4' energy: -41.712
flat angles C4'-P-C4' energy: -30.857
flat angles P-C4'-P energy: -28.222
tors. eta vs tors. theta energy: -0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -260.801125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.801125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.801125 (E_RNA)
where:
Base-Base interactions energy: -103.035
where: short stacking energy: -77.930
Base-Backbone interact. energy: -0.585
local terms energy: -157.181855
where:
bonds (distance) C4'-P energy: -43.961
bonds (distance) P-C4' energy: -41.521
flat angles C4'-P-C4' energy: -42.323
flat angles P-C4'-P energy: -24.713
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -766.745019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.745019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.745019 (E_RNA)
where:
Base-Base interactions energy: -508.205
where: short stacking energy: -237.260
Base-Backbone interact. energy: 0.697
local terms energy: -259.237623
where:
bonds (distance) C4'-P energy: -48.181
bonds (distance) P-C4' energy: -52.221
flat angles C4'-P-C4' energy: -50.769
flat angles P-C4'-P energy: -42.524
tors. eta vs tors. theta energy: -65.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -796.958422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.958422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.958422 (E_RNA)
where:
Base-Base interactions energy: -534.554
where: short stacking energy: -246.168
Base-Backbone interact. energy: 0.382
local terms energy: -262.786987
where:
bonds (distance) C4'-P energy: -46.710
bonds (distance) P-C4' energy: -52.147
flat angles C4'-P-C4' energy: -51.367
flat angles P-C4'-P energy: -39.348
tors. eta vs tors. theta energy: -73.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -707.093686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.093686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.093686 (E_RNA)
where:
Base-Base interactions energy: -484.929
where: short stacking energy: -203.348
Base-Backbone interact. energy: 0.932
local terms energy: -223.096379
where:
bonds (distance) C4'-P energy: -38.164
bonds (distance) P-C4' energy: -41.751
flat angles C4'-P-C4' energy: -50.755
flat angles P-C4'-P energy: -34.397
tors. eta vs tors. theta energy: -58.029
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: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -696.500888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.500888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.500888 (E_RNA)
where:
Base-Base interactions energy: -460.161
where: short stacking energy: -208.682
Base-Backbone interact. energy: -1.787
local terms energy: -234.553115
where:
bonds (distance) C4'-P energy: -46.782
bonds (distance) P-C4' energy: -49.819
flat angles C4'-P-C4' energy: -51.115
flat angles P-C4'-P energy: -31.390
tors. eta vs tors. theta energy: -55.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -669.130458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.130458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.130458 (E_RNA)
where:
Base-Base interactions energy: -445.610
where: short stacking energy: -209.325
Base-Backbone interact. energy: 0.899
local terms energy: -224.419588
where:
bonds (distance) C4'-P energy: -43.613
bonds (distance) P-C4' energy: -46.600
flat angles C4'-P-C4' energy: -46.391
flat angles P-C4'-P energy: -30.904
tors. eta vs tors. theta energy: -56.911
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: 61
Temperature: 1.150000
Total energy: -651.280261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.280261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.280261 (E_RNA)
where:
Base-Base interactions energy: -428.908
where: short stacking energy: -205.311
Base-Backbone interact. energy: 0.188
local terms energy: -222.559575
where:
bonds (distance) C4'-P energy: -37.472
bonds (distance) P-C4' energy: -47.969
flat angles C4'-P-C4' energy: -45.096
flat angles P-C4'-P energy: -36.384
tors. eta vs tors. theta energy: -55.639
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: 7, replica: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -611.728705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.728705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.728705 (E_RNA)
where:
Base-Base interactions energy: -384.646
where: short stacking energy: -192.332
Base-Backbone interact. energy: 0.951
local terms energy: -228.033587
where:
bonds (distance) C4'-P energy: -44.692
bonds (distance) P-C4' energy: -47.621
flat angles C4'-P-C4' energy: -41.047
flat angles P-C4'-P energy: -36.401
tors. eta vs tors. theta energy: -58.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -326.001459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.001459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.001459 (E_RNA)
where:
Base-Base interactions energy: -184.081
where: short stacking energy: -98.211
Base-Backbone interact. energy: -0.959
local terms energy: -140.961270
where:
bonds (distance) C4'-P energy: -29.742
bonds (distance) P-C4' energy: -42.702
flat angles C4'-P-C4' energy: -38.399
flat angles P-C4'-P energy: -19.698
tors. eta vs tors. theta energy: -10.421
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: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -275.572581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.572581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.572581 (E_RNA)
where:
Base-Base interactions energy: -145.057
where: short stacking energy: -86.052
Base-Backbone interact. energy: 1.661
local terms energy: -132.176007
where:
bonds (distance) C4'-P energy: -39.299
bonds (distance) P-C4' energy: -34.292
flat angles C4'-P-C4' energy: -29.539
flat angles P-C4'-P energy: -30.328
tors. eta vs tors. theta energy: 1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -236.846171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.846171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.846171 (E_RNA)
where:
Base-Base interactions energy: -94.471
where: short stacking energy: -78.165
Base-Backbone interact. energy: 0.430
local terms energy: -142.805633
where:
bonds (distance) C4'-P energy: -31.044
bonds (distance) P-C4' energy: -44.665
flat angles C4'-P-C4' energy: -38.664
flat angles P-C4'-P energy: -28.993
tors. eta vs tors. theta energy: 0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -826.426850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.426850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.426850 (E_RNA)
where:
Base-Base interactions energy: -546.154
where: short stacking energy: -256.773
Base-Backbone interact. energy: -2.091
local terms energy: -278.181505
where:
bonds (distance) C4'-P energy: -54.463
bonds (distance) P-C4' energy: -55.263
flat angles C4'-P-C4' energy: -58.615
flat angles P-C4'-P energy: -32.316
tors. eta vs tors. theta energy: -77.523
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: 10
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -747.276560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.276560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.276560 (E_RNA)
where:
Base-Base interactions energy: -502.532
where: short stacking energy: -227.587
Base-Backbone interact. energy: -2.419
local terms energy: -242.325099
where:
bonds (distance) C4'-P energy: -44.478
bonds (distance) P-C4' energy: -45.245
flat angles C4'-P-C4' energy: -50.767
flat angles P-C4'-P energy: -39.181
tors. eta vs tors. theta energy: -62.654
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: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -691.936448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.936448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.936448 (E_RNA)
where:
Base-Base interactions energy: -457.774
where: short stacking energy: -197.269
Base-Backbone interact. energy: -0.538
local terms energy: -233.624448
where:
bonds (distance) C4'-P energy: -50.048
bonds (distance) P-C4' energy: -48.355
flat angles C4'-P-C4' energy: -54.110
flat angles P-C4'-P energy: -28.077
tors. eta vs tors. theta energy: -53.034
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: 4, replica: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -679.692438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.692438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.692438 (E_RNA)
where:
Base-Base interactions energy: -465.022
where: short stacking energy: -194.575
Base-Backbone interact. energy: -0.378
local terms energy: -214.293067
where:
bonds (distance) C4'-P energy: -43.981
bonds (distance) P-C4' energy: -46.662
flat angles C4'-P-C4' energy: -49.974
flat angles P-C4'-P energy: -27.779
tors. eta vs tors. theta energy: -45.896
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: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -672.965220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.965220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.965220 (E_RNA)
where:
Base-Base interactions energy: -447.917
where: short stacking energy: -198.369
Base-Backbone interact. energy: -1.434
local terms energy: -223.614194
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -38.882
flat angles C4'-P-C4' energy: -53.739
flat angles P-C4'-P energy: -39.360
tors. eta vs tors. theta energy: -62.813
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: 9
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -653.506700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.506700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.506700 (E_RNA)
where:
Base-Base interactions energy: -425.701
where: short stacking energy: -201.242
Base-Backbone interact. energy: -0.966
local terms energy: -226.838897
where:
bonds (distance) C4'-P energy: -44.798
bonds (distance) P-C4' energy: -44.323
flat angles C4'-P-C4' energy: -55.897
flat angles P-C4'-P energy: -29.933
tors. eta vs tors. theta energy: -51.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -649.593590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.593590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.593590 (E_RNA)
where:
Base-Base interactions energy: -428.553
where: short stacking energy: -187.840
Base-Backbone interact. energy: 0.784
local terms energy: -221.823623
where:
bonds (distance) C4'-P energy: -39.546
bonds (distance) P-C4' energy: -47.479
flat angles C4'-P-C4' energy: -53.781
flat angles P-C4'-P energy: -28.227
tors. eta vs tors. theta energy: -52.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -416.097703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.097703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.097703 (E_RNA)
where:
Base-Base interactions energy: -247.526
where: short stacking energy: -114.771
Base-Backbone interact. energy: -1.101
local terms energy: -167.470917
where:
bonds (distance) C4'-P energy: -39.037
bonds (distance) P-C4' energy: -44.995
flat angles C4'-P-C4' energy: -36.851
flat angles P-C4'-P energy: -29.422
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: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -285.840963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.840963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.840963 (E_RNA)
where:
Base-Base interactions energy: -143.181
where: short stacking energy: -92.447
Base-Backbone interact. energy: -0.894
local terms energy: -141.765905
where:
bonds (distance) C4'-P energy: -27.553
bonds (distance) P-C4' energy: -40.887
flat angles C4'-P-C4' energy: -44.775
flat angles P-C4'-P energy: -22.976
tors. eta vs tors. theta energy: -5.575
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: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -220.351799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.351799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.351799 (E_RNA)
where:
Base-Base interactions energy: -84.291
where: short stacking energy: -74.935
Base-Backbone interact. energy: -1.271
local terms energy: -134.789935
where:
bonds (distance) C4'-P energy: -34.192
bonds (distance) P-C4' energy: -47.713
flat angles C4'-P-C4' energy: -29.768
flat angles P-C4'-P energy: -30.146
tors. eta vs tors. theta energy: 7.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -807.786736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.786736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.786736 (E_RNA)
where:
Base-Base interactions energy: -550.436
where: short stacking energy: -256.155
Base-Backbone interact. energy: -0.615
local terms energy: -256.735921
where:
bonds (distance) C4'-P energy: -48.348
bonds (distance) P-C4' energy: -45.016
flat angles C4'-P-C4' energy: -52.445
flat angles P-C4'-P energy: -36.748
tors. eta vs tors. theta energy: -74.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -757.266209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.266209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.266209 (E_RNA)
where:
Base-Base interactions energy: -520.043
where: short stacking energy: -220.167
Base-Backbone interact. energy: 1.996
local terms energy: -239.219423
where:
bonds (distance) C4'-P energy: -51.185
bonds (distance) P-C4' energy: -45.001
flat angles C4'-P-C4' energy: -52.349
flat angles P-C4'-P energy: -32.604
tors. eta vs tors. theta energy: -58.080
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: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -687.927942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.927942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.927942 (E_RNA)
where:
Base-Base interactions energy: -453.257
where: short stacking energy: -206.178
Base-Backbone interact. energy: 0.954
local terms energy: -235.625149
where:
bonds (distance) C4'-P energy: -49.597
bonds (distance) P-C4' energy: -40.434
flat angles C4'-P-C4' energy: -55.568
flat angles P-C4'-P energy: -36.647
tors. eta vs tors. theta energy: -53.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -695.843894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.843894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.843894 (E_RNA)
where:
Base-Base interactions energy: -460.980
where: short stacking energy: -223.361
Base-Backbone interact. energy: -0.272
local terms energy: -234.592173
where:
bonds (distance) C4'-P energy: -43.644
bonds (distance) P-C4' energy: -45.122
flat angles C4'-P-C4' energy: -45.053
flat angles P-C4'-P energy: -34.823
tors. eta vs tors. theta energy: -65.951
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: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -682.413052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.413052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.413052 (E_RNA)
where:
Base-Base interactions energy: -462.021
where: short stacking energy: -198.046
Base-Backbone interact. energy: -0.734
local terms energy: -219.657667
where:
bonds (distance) C4'-P energy: -42.741
bonds (distance) P-C4' energy: -45.936
flat angles C4'-P-C4' energy: -52.621
flat angles P-C4'-P energy: -34.779
tors. eta vs tors. theta energy: -43.581
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: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -641.845728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.845728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.845728 (E_RNA)
where:
Base-Base interactions energy: -417.486
where: short stacking energy: -201.339
Base-Backbone interact. energy: -1.464
local terms energy: -222.895568
where:
bonds (distance) C4'-P energy: -38.116
bonds (distance) P-C4' energy: -42.341
flat angles C4'-P-C4' energy: -48.146
flat angles P-C4'-P energy: -38.596
tors. eta vs tors. theta energy: -55.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -618.299641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.299641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.299641 (E_RNA)
where:
Base-Base interactions energy: -400.160
where: short stacking energy: -176.995
Base-Backbone interact. energy: -0.278
local terms energy: -217.862446
where:
bonds (distance) C4'-P energy: -48.754
bonds (distance) P-C4' energy: -41.365
flat angles C4'-P-C4' energy: -45.671
flat angles P-C4'-P energy: -26.300
tors. eta vs tors. theta energy: -55.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -409.812722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.812722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.812722 (E_RNA)
where:
Base-Base interactions energy: -243.183
where: short stacking energy: -131.368
Base-Backbone interact. energy: -0.916
local terms energy: -165.713892
where:
bonds (distance) C4'-P energy: -38.217
bonds (distance) P-C4' energy: -47.423
flat angles C4'-P-C4' energy: -42.669
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -23.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -267.210122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.210122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.210122 (E_RNA)
where:
Base-Base interactions energy: -135.358
where: short stacking energy: -79.100
Base-Backbone interact. energy: -0.883
local terms energy: -130.968262
where:
bonds (distance) C4'-P energy: -38.812
bonds (distance) P-C4' energy: -41.977
flat angles C4'-P-C4' energy: -33.197
flat angles P-C4'-P energy: -23.915
tors. eta vs tors. theta energy: 6.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -230.195107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.195107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.195107 (E_RNA)
where:
Base-Base interactions energy: -74.308
where: short stacking energy: -65.601
Base-Backbone interact. energy: -0.391
local terms energy: -155.496661
where:
bonds (distance) C4'-P energy: -49.270
bonds (distance) P-C4' energy: -44.238
flat angles C4'-P-C4' energy: -36.991
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -766.200005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.200005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.200005 (E_RNA)
where:
Base-Base interactions energy: -518.144
where: short stacking energy: -227.847
Base-Backbone interact. energy: -2.689
local terms energy: -245.367411
where:
bonds (distance) C4'-P energy: -51.261
bonds (distance) P-C4' energy: -50.017
flat angles C4'-P-C4' energy: -54.632
flat angles P-C4'-P energy: -31.831
tors. eta vs tors. theta energy: -57.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -812.907485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.907485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.907485 (E_RNA)
where:
Base-Base interactions energy: -548.978
where: short stacking energy: -254.915
Base-Backbone interact. energy: -1.961
local terms energy: -261.967768
where:
bonds (distance) C4'-P energy: -44.977
bonds (distance) P-C4' energy: -54.869
flat angles C4'-P-C4' energy: -49.405
flat angles P-C4'-P energy: -33.523
tors. eta vs tors. theta energy: -79.193
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: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -729.757878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.757878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.757878 (E_RNA)
where:
Base-Base interactions energy: -486.817
where: short stacking energy: -223.821
Base-Backbone interact. energy: 1.427
local terms energy: -244.368244
where:
bonds (distance) C4'-P energy: -50.405
bonds (distance) P-C4' energy: -40.343
flat angles C4'-P-C4' energy: -50.127
flat angles P-C4'-P energy: -37.355
tors. eta vs tors. theta energy: -66.138
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: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -671.498898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.498898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.498898 (E_RNA)
where:
Base-Base interactions energy: -447.891
where: short stacking energy: -207.033
Base-Backbone interact. energy: 1.298
local terms energy: -224.906889
where:
bonds (distance) C4'-P energy: -44.440
bonds (distance) P-C4' energy: -45.625
flat angles C4'-P-C4' energy: -51.028
flat angles P-C4'-P energy: -30.852
tors. eta vs tors. theta energy: -52.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -674.899568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.899568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.899568 (E_RNA)
where:
Base-Base interactions energy: -465.963
where: short stacking energy: -189.703
Base-Backbone interact. energy: 2.377
local terms energy: -211.314284
where:
bonds (distance) C4'-P energy: -35.417
bonds (distance) P-C4' energy: -52.752
flat angles C4'-P-C4' energy: -43.649
flat angles P-C4'-P energy: -29.403
tors. eta vs tors. theta energy: -50.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -660.875158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.875158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.875158 (E_RNA)
where:
Base-Base interactions energy: -436.863
where: short stacking energy: -207.761
Base-Backbone interact. energy: -0.839
local terms energy: -223.172755
where:
bonds (distance) C4'-P energy: -41.343
bonds (distance) P-C4' energy: -40.626
flat angles C4'-P-C4' energy: -47.947
flat angles P-C4'-P energy: -30.851
tors. eta vs tors. theta energy: -62.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -638.195761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.195761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.195761 (E_RNA)
where:
Base-Base interactions energy: -418.851
where: short stacking energy: -197.003
Base-Backbone interact. energy: 0.830
local terms energy: -220.174600
where:
bonds (distance) C4'-P energy: -39.161
bonds (distance) P-C4' energy: -46.263
flat angles C4'-P-C4' energy: -54.013
flat angles P-C4'-P energy: -23.581
tors. eta vs tors. theta energy: -57.157
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: 8, replica: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -483.476081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.476081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.476081 (E_RNA)
where:
Base-Base interactions energy: -304.396
where: short stacking energy: -139.268
Base-Backbone interact. energy: -1.213
local terms energy: -177.866333
where:
bonds (distance) C4'-P energy: -38.200
bonds (distance) P-C4' energy: -42.457
flat angles C4'-P-C4' energy: -38.789
flat angles P-C4'-P energy: -25.682
tors. eta vs tors. theta energy: -32.737
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: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -276.151814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.151814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.151814 (E_RNA)
where:
Base-Base interactions energy: -119.550
where: short stacking energy: -87.799
Base-Backbone interact. energy: 0.353
local terms energy: -156.954645
where:
bonds (distance) C4'-P energy: -39.850
bonds (distance) P-C4' energy: -42.915
flat angles C4'-P-C4' energy: -45.043
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: -9.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -223.114163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.114163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.114163 (E_RNA)
where:
Base-Base interactions energy: -91.323
where: short stacking energy: -82.203
Base-Backbone interact. energy: -0.120
local terms energy: -131.671818
where:
bonds (distance) C4'-P energy: -38.786
bonds (distance) P-C4' energy: -46.891
flat angles C4'-P-C4' energy: -33.526
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: 1.968
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: 1, replica: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -742.446006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.446006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.446006 (E_RNA)
where:
Base-Base interactions energy: -505.429
where: short stacking energy: -223.090
Base-Backbone interact. energy: -0.974
local terms energy: -236.042699
where:
bonds (distance) C4'-P energy: -45.496
bonds (distance) P-C4' energy: -50.381
flat angles C4'-P-C4' energy: -52.407
flat angles P-C4'-P energy: -31.806
tors. eta vs tors. theta energy: -55.953
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: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -786.768477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.768477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.768477 (E_RNA)
where:
Base-Base interactions energy: -535.565
where: short stacking energy: -263.387
Base-Backbone interact. energy: -0.398
local terms energy: -250.805460
where:
bonds (distance) C4'-P energy: -43.904
bonds (distance) P-C4' energy: -42.959
flat angles C4'-P-C4' energy: -49.689
flat angles P-C4'-P energy: -35.037
tors. eta vs tors. theta energy: -79.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -737.481793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.481793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.481793 (E_RNA)
where:
Base-Base interactions energy: -488.266
where: short stacking energy: -246.779
Base-Backbone interact. energy: -0.260
local terms energy: -248.956195
where:
bonds (distance) C4'-P energy: -42.330
bonds (distance) P-C4' energy: -51.227
flat angles C4'-P-C4' energy: -47.899
flat angles P-C4'-P energy: -29.378
tors. eta vs tors. theta energy: -78.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -692.636704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.636704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.636704 (E_RNA)
where:
Base-Base interactions energy: -473.651
where: short stacking energy: -215.739
Base-Backbone interact. energy: 0.153
local terms energy: -219.139171
where:
bonds (distance) C4'-P energy: -47.114
bonds (distance) P-C4' energy: -40.617
flat angles C4'-P-C4' energy: -51.675
flat angles P-C4'-P energy: -29.587
tors. eta vs tors. theta energy: -50.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -633.789797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.789797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.789797 (E_RNA)
where:
Base-Base interactions energy: -412.894
where: short stacking energy: -185.704
Base-Backbone interact. energy: -2.356
local terms energy: -218.539449
where:
bonds (distance) C4'-P energy: -48.592
bonds (distance) P-C4' energy: -46.067
flat angles C4'-P-C4' energy: -49.143
flat angles P-C4'-P energy: -24.501
tors. eta vs tors. theta energy: -50.237
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: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -640.769314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.769314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.769314 (E_RNA)
where:
Base-Base interactions energy: -424.602
where: short stacking energy: -202.218
Base-Backbone interact. energy: -3.130
local terms energy: -213.037414
where:
bonds (distance) C4'-P energy: -50.693
bonds (distance) P-C4' energy: -40.448
flat angles C4'-P-C4' energy: -39.806
flat angles P-C4'-P energy: -33.737
tors. eta vs tors. theta energy: -48.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -626.205561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.205561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.205561 (E_RNA)
where:
Base-Base interactions energy: -415.827
where: short stacking energy: -190.433
Base-Backbone interact. energy: -1.580
local terms energy: -208.799125
where:
bonds (distance) C4'-P energy: -40.775
bonds (distance) P-C4' energy: -46.509
flat angles C4'-P-C4' energy: -46.232
flat angles P-C4'-P energy: -25.924
tors. eta vs tors. theta energy: -49.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -484.970543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.970543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.970543 (E_RNA)
where:
Base-Base interactions energy: -298.708
where: short stacking energy: -143.087
Base-Backbone interact. energy: -0.682
local terms energy: -185.580749
where:
bonds (distance) C4'-P energy: -36.239
bonds (distance) P-C4' energy: -46.518
flat angles C4'-P-C4' energy: -41.746
flat angles P-C4'-P energy: -28.206
tors. eta vs tors. theta energy: -32.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -282.418394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.418394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.418394 (E_RNA)
where:
Base-Base interactions energy: -121.983
where: short stacking energy: -82.185
Base-Backbone interact. energy: -0.585
local terms energy: -159.850874
where:
bonds (distance) C4'-P energy: -35.055
bonds (distance) P-C4' energy: -48.073
flat angles C4'-P-C4' energy: -41.376
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: -12.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -229.685913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.685913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.685913 (E_RNA)
where:
Base-Base interactions energy: -83.466
where: short stacking energy: -69.202
Base-Backbone interact. energy: 0.163
local terms energy: -146.383483
where:
bonds (distance) C4'-P energy: -36.068
bonds (distance) P-C4' energy: -41.245
flat angles C4'-P-C4' energy: -37.921
flat angles P-C4'-P energy: -25.689
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -827.723426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.723426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.723426 (E_RNA)
where:
Base-Base interactions energy: -559.027
where: short stacking energy: -259.612
Base-Backbone interact. energy: -0.832
local terms energy: -267.863886
where:
bonds (distance) C4'-P energy: -52.613
bonds (distance) P-C4' energy: -50.775
flat angles C4'-P-C4' energy: -53.095
flat angles P-C4'-P energy: -33.524
tors. eta vs tors. theta energy: -77.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -751.486550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.486550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.486550 (E_RNA)
where:
Base-Base interactions energy: -499.514
where: short stacking energy: -223.475
Base-Backbone interact. energy: -1.686
local terms energy: -250.287077
where:
bonds (distance) C4'-P energy: -44.983
bonds (distance) P-C4' energy: -49.676
flat angles C4'-P-C4' energy: -51.022
flat angles P-C4'-P energy: -44.683
tors. eta vs tors. theta energy: -59.923
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: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -701.028605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.028605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.028605 (E_RNA)
where:
Base-Base interactions energy: -476.588
where: short stacking energy: -213.519
Base-Backbone interact. energy: -1.293
local terms energy: -223.147693
where:
bonds (distance) C4'-P energy: -45.240
bonds (distance) P-C4' energy: -47.453
flat angles C4'-P-C4' energy: -49.803
flat angles P-C4'-P energy: -27.158
tors. eta vs tors. theta energy: -53.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -713.821881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.821881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.821881 (E_RNA)
where:
Base-Base interactions energy: -475.424
where: short stacking energy: -230.276
Base-Backbone interact. energy: -0.540
local terms energy: -237.858225
where:
bonds (distance) C4'-P energy: -49.158
bonds (distance) P-C4' energy: -48.791
flat angles C4'-P-C4' energy: -44.943
flat angles P-C4'-P energy: -27.950
tors. eta vs tors. theta energy: -67.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -615.142295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.142295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.142295 (E_RNA)
where:
Base-Base interactions energy: -408.493
where: short stacking energy: -186.916
Base-Backbone interact. energy: -2.069
local terms energy: -204.580776
where:
bonds (distance) C4'-P energy: -39.549
bonds (distance) P-C4' energy: -46.321
flat angles C4'-P-C4' energy: -49.281
flat angles P-C4'-P energy: -25.380
tors. eta vs tors. theta energy: -44.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -652.002993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.002993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.002993 (E_RNA)
where:
Base-Base interactions energy: -419.253
where: short stacking energy: -203.546
Base-Backbone interact. energy: -0.318
local terms energy: -232.431705
where:
bonds (distance) C4'-P energy: -43.609
bonds (distance) P-C4' energy: -54.728
flat angles C4'-P-C4' energy: -43.657
flat angles P-C4'-P energy: -33.422
tors. eta vs tors. theta energy: -57.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -579.642311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.642311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.642311 (E_RNA)
where:
Base-Base interactions energy: -369.946
where: short stacking energy: -185.282
Base-Backbone interact. energy: -0.160
local terms energy: -209.536466
where:
bonds (distance) C4'-P energy: -42.483
bonds (distance) P-C4' energy: -42.484
flat angles C4'-P-C4' energy: -40.996
flat angles P-C4'-P energy: -34.155
tors. eta vs tors. theta energy: -49.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -505.166623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.166623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.166623 (E_RNA)
where:
Base-Base interactions energy: -319.205
where: short stacking energy: -149.040
Base-Backbone interact. energy: -0.853
local terms energy: -185.108632
where:
bonds (distance) C4'-P energy: -40.904
bonds (distance) P-C4' energy: -49.758
flat angles C4'-P-C4' energy: -42.895
flat angles P-C4'-P energy: -24.133
tors. eta vs tors. theta energy: -27.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -297.471902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.471902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.471902 (E_RNA)
where:
Base-Base interactions energy: -146.819
where: short stacking energy: -100.348
Base-Backbone interact. energy: -0.358
local terms energy: -150.294987
where:
bonds (distance) C4'-P energy: -33.201
bonds (distance) P-C4' energy: -40.718
flat angles C4'-P-C4' energy: -39.626
flat angles P-C4'-P energy: -23.936
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -235.442054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.442054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.442054 (E_RNA)
where:
Base-Base interactions energy: -91.856
where: short stacking energy: -74.960
Base-Backbone interact. energy: 2.015
local terms energy: -145.600790
where:
bonds (distance) C4'-P energy: -45.120
bonds (distance) P-C4' energy: -51.572
flat angles C4'-P-C4' energy: -29.832
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -828.571090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.571090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.571090 (E_RNA)
where:
Base-Base interactions energy: -550.478
where: short stacking energy: -268.064
Base-Backbone interact. energy: 0.171
local terms energy: -278.264042
where:
bonds (distance) C4'-P energy: -54.946
bonds (distance) P-C4' energy: -55.737
flat angles C4'-P-C4' energy: -58.139
flat angles P-C4'-P energy: -30.224
tors. eta vs tors. theta energy: -79.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -745.525890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.525890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.525890 (E_RNA)
where:
Base-Base interactions energy: -494.642
where: short stacking energy: -214.621
Base-Backbone interact. energy: -0.488
local terms energy: -250.395421
where:
bonds (distance) C4'-P energy: -52.448
bonds (distance) P-C4' energy: -51.896
flat angles C4'-P-C4' energy: -51.108
flat angles P-C4'-P energy: -38.394
tors. eta vs tors. theta energy: -56.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -709.138141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.138141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.138141 (E_RNA)
where:
Base-Base interactions energy: -484.234
where: short stacking energy: -221.731
Base-Backbone interact. energy: -1.135
local terms energy: -223.768996
where:
bonds (distance) C4'-P energy: -32.971
bonds (distance) P-C4' energy: -46.634
flat angles C4'-P-C4' energy: -50.313
flat angles P-C4'-P energy: -32.921
tors. eta vs tors. theta energy: -60.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -708.065804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.065804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.065804 (E_RNA)
where:
Base-Base interactions energy: -461.953
where: short stacking energy: -217.952
Base-Backbone interact. energy: -1.725
local terms energy: -244.387816
where:
bonds (distance) C4'-P energy: -42.659
bonds (distance) P-C4' energy: -56.405
flat angles C4'-P-C4' energy: -44.812
flat angles P-C4'-P energy: -35.240
tors. eta vs tors. theta energy: -65.272
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: 67
Temperature: 1.100000
Total energy: -624.498652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.498652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.498652 (E_RNA)
where:
Base-Base interactions energy: -406.334
where: short stacking energy: -182.886
Base-Backbone interact. energy: -1.688
local terms energy: -216.477038
where:
bonds (distance) C4'-P energy: -44.270
bonds (distance) P-C4' energy: -42.576
flat angles C4'-P-C4' energy: -55.425
flat angles P-C4'-P energy: -30.011
tors. eta vs tors. theta energy: -44.195
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: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -669.395150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.395150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.395150 (E_RNA)
where:
Base-Base interactions energy: -430.636
where: short stacking energy: -206.498
Base-Backbone interact. energy: -0.005
local terms energy: -238.753783
where:
bonds (distance) C4'-P energy: -42.334
bonds (distance) P-C4' energy: -45.114
flat angles C4'-P-C4' energy: -48.218
flat angles P-C4'-P energy: -31.746
tors. eta vs tors. theta energy: -71.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -571.144073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.144073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.144073 (E_RNA)
where:
Base-Base interactions energy: -350.935
where: short stacking energy: -172.242
Base-Backbone interact. energy: -0.554
local terms energy: -219.654991
where:
bonds (distance) C4'-P energy: -41.974
bonds (distance) P-C4' energy: -51.316
flat angles C4'-P-C4' energy: -48.430
flat angles P-C4'-P energy: -36.264
tors. eta vs tors. theta energy: -41.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -495.542304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.542304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.542304 (E_RNA)
where:
Base-Base interactions energy: -322.144
where: short stacking energy: -149.689
Base-Backbone interact. energy: -0.017
local terms energy: -173.380310
where:
bonds (distance) C4'-P energy: -41.185
bonds (distance) P-C4' energy: -45.127
flat angles C4'-P-C4' energy: -37.275
flat angles P-C4'-P energy: -21.941
tors. eta vs tors. theta energy: -27.854
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: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -284.511903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.511903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.511903 (E_RNA)
where:
Base-Base interactions energy: -151.350
where: short stacking energy: -74.454
Base-Backbone interact. energy: -0.546
local terms energy: -132.615792
where:
bonds (distance) C4'-P energy: -37.882
bonds (distance) P-C4' energy: -32.637
flat angles C4'-P-C4' energy: -37.984
flat angles P-C4'-P energy: -19.449
tors. eta vs tors. theta energy: -4.663
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: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -228.885583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.885583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.885583 (E_RNA)
where:
Base-Base interactions energy: -90.371
where: short stacking energy: -76.334
Base-Backbone interact. energy: 0.047
local terms energy: -138.561375
where:
bonds (distance) C4'-P energy: -46.375
bonds (distance) P-C4' energy: -39.992
flat angles C4'-P-C4' energy: -38.623
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -830.440928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.440928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.440928 (E_RNA)
where:
Base-Base interactions energy: -569.812
where: short stacking energy: -272.804
Base-Backbone interact. energy: -0.128
local terms energy: -260.500994
where:
bonds (distance) C4'-P energy: -47.484
bonds (distance) P-C4' energy: -49.940
flat angles C4'-P-C4' energy: -49.263
flat angles P-C4'-P energy: -29.410
tors. eta vs tors. theta energy: -84.403
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: 68
Temperature: 0.950000
Total energy: -742.863288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.863288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.863288 (E_RNA)
where:
Base-Base interactions energy: -500.951
where: short stacking energy: -227.654
Base-Backbone interact. energy: -1.026
local terms energy: -240.886167
where:
bonds (distance) C4'-P energy: -49.056
bonds (distance) P-C4' energy: -52.413
flat angles C4'-P-C4' energy: -48.064
flat angles P-C4'-P energy: -36.474
tors. eta vs tors. theta energy: -54.879
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: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -727.392615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.392615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.392615 (E_RNA)
where:
Base-Base interactions energy: -491.996
where: short stacking energy: -225.506
Base-Backbone interact. energy: 0.481
local terms energy: -235.876839
where:
bonds (distance) C4'-P energy: -42.549
bonds (distance) P-C4' energy: -49.695
flat angles C4'-P-C4' energy: -54.413
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: -65.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -683.936960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.936960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.936960 (E_RNA)
where:
Base-Base interactions energy: -459.471
where: short stacking energy: -204.976
Base-Backbone interact. energy: -1.649
local terms energy: -222.817427
where:
bonds (distance) C4'-P energy: -40.741
bonds (distance) P-C4' energy: -53.206
flat angles C4'-P-C4' energy: -48.650
flat angles P-C4'-P energy: -20.891
tors. eta vs tors. theta energy: -59.330
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: 68
Temperature: 1.100000
Total energy: -687.649685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.649685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.649685 (E_RNA)
where:
Base-Base interactions energy: -453.110
where: short stacking energy: -203.916
Base-Backbone interact. energy: -0.409
local terms energy: -234.130614
where:
bonds (distance) C4'-P energy: -45.270
bonds (distance) P-C4' energy: -44.431
flat angles C4'-P-C4' energy: -48.333
flat angles P-C4'-P energy: -34.596
tors. eta vs tors. theta energy: -61.500
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: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -626.485447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.485447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.485447 (E_RNA)
where:
Base-Base interactions energy: -418.969
where: short stacking energy: -188.149
Base-Backbone interact. energy: 2.310
local terms energy: -209.827225
where:
bonds (distance) C4'-P energy: -43.963
bonds (distance) P-C4' energy: -44.174
flat angles C4'-P-C4' energy: -49.740
flat angles P-C4'-P energy: -29.690
tors. eta vs tors. theta energy: -42.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -599.930402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.930402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.930402 (E_RNA)
where:
Base-Base interactions energy: -389.573
where: short stacking energy: -181.371
Base-Backbone interact. energy: -1.060
local terms energy: -209.298293
where:
bonds (distance) C4'-P energy: -34.967
bonds (distance) P-C4' energy: -46.406
flat angles C4'-P-C4' energy: -44.382
flat angles P-C4'-P energy: -35.023
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: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -482.759882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.759882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.759882 (E_RNA)
where:
Base-Base interactions energy: -303.762
where: short stacking energy: -141.385
Base-Backbone interact. energy: -0.392
local terms energy: -178.605922
where:
bonds (distance) C4'-P energy: -42.576
bonds (distance) P-C4' energy: -45.276
flat angles C4'-P-C4' energy: -39.064
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -33.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -304.366225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.366225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.366225 (E_RNA)
where:
Base-Base interactions energy: -146.688
where: short stacking energy: -109.424
Base-Backbone interact. energy: -1.141
local terms energy: -156.536326
where:
bonds (distance) C4'-P energy: -31.277
bonds (distance) P-C4' energy: -41.331
flat angles C4'-P-C4' energy: -36.694
flat angles P-C4'-P energy: -31.219
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -217.458652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.458652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.458652 (E_RNA)
where:
Base-Base interactions energy: -103.008
where: short stacking energy: -63.139
Base-Backbone interact. energy: -0.425
local terms energy: -114.025338
where:
bonds (distance) C4'-P energy: -29.756
bonds (distance) P-C4' energy: -42.838
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -29.077
tors. eta vs tors. theta energy: 9.493
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: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -839.705776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.705776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.705776 (E_RNA)
where:
Base-Base interactions energy: -563.481
where: short stacking energy: -270.750
Base-Backbone interact. energy: 0.014
local terms energy: -276.238888
where:
bonds (distance) C4'-P energy: -45.282
bonds (distance) P-C4' energy: -51.132
flat angles C4'-P-C4' energy: -58.768
flat angles P-C4'-P energy: -41.248
tors. eta vs tors. theta energy: -79.809
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: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -755.398503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.398503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.398503 (E_RNA)
where:
Base-Base interactions energy: -499.996
where: short stacking energy: -239.195
Base-Backbone interact. energy: -1.794
local terms energy: -253.608138
where:
bonds (distance) C4'-P energy: -47.594
bonds (distance) P-C4' energy: -54.157
flat angles C4'-P-C4' energy: -53.842
flat angles P-C4'-P energy: -34.971
tors. eta vs tors. theta energy: -63.044
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: 10
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -740.115203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.115203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.115203 (E_RNA)
where:
Base-Base interactions energy: -504.723
where: short stacking energy: -228.744
Base-Backbone interact. energy: -1.439
local terms energy: -233.953069
where:
bonds (distance) C4'-P energy: -43.231
bonds (distance) P-C4' energy: -46.756
flat angles C4'-P-C4' energy: -48.730
flat angles P-C4'-P energy: -37.491
tors. eta vs tors. theta energy: -57.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -744.482557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.482557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.482557 (E_RNA)
where:
Base-Base interactions energy: -507.493
where: short stacking energy: -225.623
Base-Backbone interact. energy: -1.392
local terms energy: -235.597702
where:
bonds (distance) C4'-P energy: -34.054
bonds (distance) P-C4' energy: -45.450
flat angles C4'-P-C4' energy: -52.618
flat angles P-C4'-P energy: -37.517
tors. eta vs tors. theta energy: -65.959
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: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -647.777475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.777475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.777475 (E_RNA)
where:
Base-Base interactions energy: -425.993
where: short stacking energy: -199.544
Base-Backbone interact. energy: -1.888
local terms energy: -219.896369
where:
bonds (distance) C4'-P energy: -46.222
bonds (distance) P-C4' energy: -36.458
flat angles C4'-P-C4' energy: -52.002
flat angles P-C4'-P energy: -32.949
tors. eta vs tors. theta energy: -52.265
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: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -610.524830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.524830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.524830 (E_RNA)
where:
Base-Base interactions energy: -398.680
where: short stacking energy: -184.201
Base-Backbone interact. energy: -0.638
local terms energy: -211.207144
where:
bonds (distance) C4'-P energy: -40.962
bonds (distance) P-C4' energy: -46.667
flat angles C4'-P-C4' energy: -46.158
flat angles P-C4'-P energy: -32.153
tors. eta vs tors. theta energy: -45.267
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: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -588.581689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.581689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.581689 (E_RNA)
where:
Base-Base interactions energy: -380.354
where: short stacking energy: -182.416
Base-Backbone interact. energy: -0.242
local terms energy: -207.985108
where:
bonds (distance) C4'-P energy: -43.526
bonds (distance) P-C4' energy: -50.207
flat angles C4'-P-C4' energy: -42.306
flat angles P-C4'-P energy: -24.989
tors. eta vs tors. theta energy: -46.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -485.871657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.871657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.871657 (E_RNA)
where:
Base-Base interactions energy: -310.267
where: short stacking energy: -145.147
Base-Backbone interact. energy: -1.094
local terms energy: -174.510595
where:
bonds (distance) C4'-P energy: -35.948
bonds (distance) P-C4' energy: -48.678
flat angles C4'-P-C4' energy: -35.428
flat angles P-C4'-P energy: -26.009
tors. eta vs tors. theta energy: -28.448
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: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -300.185630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.185630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.185630 (E_RNA)
where:
Base-Base interactions energy: -149.036
where: short stacking energy: -105.396
Base-Backbone interact. energy: -0.586
local terms energy: -150.563592
where:
bonds (distance) C4'-P energy: -37.863
bonds (distance) P-C4' energy: -43.724
flat angles C4'-P-C4' energy: -44.566
flat angles P-C4'-P energy: -20.974
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -232.515002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.515002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.515002 (E_RNA)
where:
Base-Base interactions energy: -90.041
where: short stacking energy: -73.670
Base-Backbone interact. energy: -0.567
local terms energy: -141.907690
where:
bonds (distance) C4'-P energy: -41.012
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -44.508
flat angles P-C4'-P energy: -27.050
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -768.942725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.942725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.942725 (E_RNA)
where:
Base-Base interactions energy: -516.161
where: short stacking energy: -251.974
Base-Backbone interact. energy: -1.730
local terms energy: -251.051990
where:
bonds (distance) C4'-P energy: -50.287
bonds (distance) P-C4' energy: -45.553
flat angles C4'-P-C4' energy: -46.999
flat angles P-C4'-P energy: -38.292
tors. eta vs tors. theta energy: -69.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -828.237560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.237560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.237560 (E_RNA)
where:
Base-Base interactions energy: -564.041
where: short stacking energy: -262.928
Base-Backbone interact. energy: -3.669
local terms energy: -260.527438
where:
bonds (distance) C4'-P energy: -47.181
bonds (distance) P-C4' energy: -40.130
flat angles C4'-P-C4' energy: -55.626
flat angles P-C4'-P energy: -35.471
tors. eta vs tors. theta energy: -82.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -770.986107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.986107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.986107 (E_RNA)
where:
Base-Base interactions energy: -520.541
where: short stacking energy: -238.390
Base-Backbone interact. energy: -0.934
local terms energy: -249.511705
where:
bonds (distance) C4'-P energy: -47.924
bonds (distance) P-C4' energy: -46.659
flat angles C4'-P-C4' energy: -51.989
flat angles P-C4'-P energy: -32.741
tors. eta vs tors. theta energy: -70.198
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: 4, replica: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -724.163392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.163392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.163392 (E_RNA)
where:
Base-Base interactions energy: -495.170
where: short stacking energy: -231.484
Base-Backbone interact. energy: 0.657
local terms energy: -229.649590
where:
bonds (distance) C4'-P energy: -40.470
bonds (distance) P-C4' energy: -42.801
flat angles C4'-P-C4' energy: -53.307
flat angles P-C4'-P energy: -29.184
tors. eta vs tors. theta energy: -63.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -641.807419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.807419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.807419 (E_RNA)
where:
Base-Base interactions energy: -422.224
where: short stacking energy: -195.790
Base-Backbone interact. energy: -0.405
local terms energy: -219.178881
where:
bonds (distance) C4'-P energy: -42.886
bonds (distance) P-C4' energy: -50.877
flat angles C4'-P-C4' energy: -53.550
flat angles P-C4'-P energy: -26.939
tors. eta vs tors. theta energy: -44.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -571.288337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.288337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.288337 (E_RNA)
where:
Base-Base interactions energy: -378.653
where: short stacking energy: -169.096
Base-Backbone interact. energy: 2.280
local terms energy: -194.915633
where:
bonds (distance) C4'-P energy: -33.685
bonds (distance) P-C4' energy: -52.367
flat angles C4'-P-C4' energy: -35.431
flat angles P-C4'-P energy: -34.560
tors. eta vs tors. theta energy: -38.873
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: 9
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -538.869549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.869549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.869549 (E_RNA)
where:
Base-Base interactions energy: -352.522
where: short stacking energy: -167.220
Base-Backbone interact. energy: -0.006
local terms energy: -186.341294
where:
bonds (distance) C4'-P energy: -41.062
bonds (distance) P-C4' energy: -40.992
flat angles C4'-P-C4' energy: -36.916
flat angles P-C4'-P energy: -32.523
tors. eta vs tors. theta energy: -34.849
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: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -493.807857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.807857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.807857 (E_RNA)
where:
Base-Base interactions energy: -310.320
where: short stacking energy: -142.801
Base-Backbone interact. energy: -0.098
local terms energy: -183.389358
where:
bonds (distance) C4'-P energy: -48.394
bonds (distance) P-C4' energy: -37.254
flat angles C4'-P-C4' energy: -40.613
flat angles P-C4'-P energy: -28.286
tors. eta vs tors. theta energy: -28.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -225.155174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.155174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.155174 (E_RNA)
where:
Base-Base interactions energy: -82.320
where: short stacking energy: -74.132
Base-Backbone interact. energy: 1.065
local terms energy: -143.900474
where:
bonds (distance) C4'-P energy: -41.777
bonds (distance) P-C4' energy: -45.954
flat angles C4'-P-C4' energy: -40.926
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -268.252784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.252784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.252784 (E_RNA)
where:
Base-Base interactions energy: -133.673
where: short stacking energy: -84.463
Base-Backbone interact. energy: -0.166
local terms energy: -134.413135
where:
bonds (distance) C4'-P energy: -40.129
bonds (distance) P-C4' energy: -39.061
flat angles C4'-P-C4' energy: -40.616
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -8.179
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: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -765.958867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.958867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.958867 (E_RNA)
where:
Base-Base interactions energy: -499.646
where: short stacking energy: -240.892
Base-Backbone interact. energy: -1.176
local terms energy: -265.136942
where:
bonds (distance) C4'-P energy: -50.147
bonds (distance) P-C4' energy: -45.228
flat angles C4'-P-C4' energy: -52.252
flat angles P-C4'-P energy: -43.963
tors. eta vs tors. theta energy: -73.547
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: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -810.356420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.356420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.356420 (E_RNA)
where:
Base-Base interactions energy: -539.588
where: short stacking energy: -253.232
Base-Backbone interact. energy: -0.918
local terms energy: -269.850961
where:
bonds (distance) C4'-P energy: -48.017
bonds (distance) P-C4' energy: -49.370
flat angles C4'-P-C4' energy: -56.758
flat angles P-C4'-P energy: -39.263
tors. eta vs tors. theta energy: -76.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -759.474603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.474603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.474603 (E_RNA)
where:
Base-Base interactions energy: -509.913
where: short stacking energy: -238.834
Base-Backbone interact. energy: -1.177
local terms energy: -248.384523
where:
bonds (distance) C4'-P energy: -47.539
bonds (distance) P-C4' energy: -45.659
flat angles C4'-P-C4' energy: -50.265
flat angles P-C4'-P energy: -37.332
tors. eta vs tors. theta energy: -67.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -708.928675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.928675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.928675 (E_RNA)
where:
Base-Base interactions energy: -491.830
where: short stacking energy: -196.955
Base-Backbone interact. energy: -0.819
local terms energy: -216.279581
where:
bonds (distance) C4'-P energy: -46.317
bonds (distance) P-C4' energy: -51.462
flat angles C4'-P-C4' energy: -51.349
flat angles P-C4'-P energy: -19.884
tors. eta vs tors. theta energy: -47.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -642.838390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.838390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.838390 (E_RNA)
where:
Base-Base interactions energy: -410.307
where: short stacking energy: -197.744
Base-Backbone interact. energy: 1.989
local terms energy: -234.521244
where:
bonds (distance) C4'-P energy: -49.156
bonds (distance) P-C4' energy: -47.829
flat angles C4'-P-C4' energy: -47.068
flat angles P-C4'-P energy: -36.114
tors. eta vs tors. theta energy: -54.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -570.513117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.513117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.513117 (E_RNA)
where:
Base-Base interactions energy: -371.263
where: short stacking energy: -168.932
Base-Backbone interact. energy: 0.394
local terms energy: -199.644564
where:
bonds (distance) C4'-P energy: -47.250
bonds (distance) P-C4' energy: -44.741
flat angles C4'-P-C4' energy: -48.675
flat angles P-C4'-P energy: -25.269
tors. eta vs tors. theta energy: -33.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -561.269096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.269096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.269096 (E_RNA)
where:
Base-Base interactions energy: -358.036
where: short stacking energy: -168.318
Base-Backbone interact. energy: 1.653
local terms energy: -204.885667
where:
bonds (distance) C4'-P energy: -47.450
bonds (distance) P-C4' energy: -42.673
flat angles C4'-P-C4' energy: -48.813
flat angles P-C4'-P energy: -27.466
tors. eta vs tors. theta energy: -38.484
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: 5
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -520.487248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.487248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.487248 (E_RNA)
where:
Base-Base interactions energy: -325.767
where: short stacking energy: -139.297
Base-Backbone interact. energy: -2.912
local terms energy: -191.808400
where:
bonds (distance) C4'-P energy: -41.311
bonds (distance) P-C4' energy: -49.289
flat angles C4'-P-C4' energy: -38.922
flat angles P-C4'-P energy: -28.842
tors. eta vs tors. theta energy: -33.445
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: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -240.714989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.714989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.714989 (E_RNA)
where:
Base-Base interactions energy: -89.354
where: short stacking energy: -62.936
Base-Backbone interact. energy: -1.317
local terms energy: -150.043380
where:
bonds (distance) C4'-P energy: -43.861
bonds (distance) P-C4' energy: -43.337
flat angles C4'-P-C4' energy: -38.494
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -5.136
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: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -242.248704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.248704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.248704 (E_RNA)
where:
Base-Base interactions energy: -114.147
where: short stacking energy: -73.623
Base-Backbone interact. energy: -0.022
local terms energy: -128.079546
where:
bonds (distance) C4'-P energy: -39.363
bonds (distance) P-C4' energy: -43.840
flat angles C4'-P-C4' energy: -30.356
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: 0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -835.294583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.294583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.294583 (E_RNA)
where:
Base-Base interactions energy: -561.712
where: short stacking energy: -268.979
Base-Backbone interact. energy: -0.095
local terms energy: -273.487706
where:
bonds (distance) C4'-P energy: -52.186
bonds (distance) P-C4' energy: -49.966
flat angles C4'-P-C4' energy: -55.826
flat angles P-C4'-P energy: -38.184
tors. eta vs tors. theta energy: -77.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -758.795350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.795350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.795350 (E_RNA)
where:
Base-Base interactions energy: -505.833
where: short stacking energy: -237.144
Base-Backbone interact. energy: 0.979
local terms energy: -253.940743
where:
bonds (distance) C4'-P energy: -48.580
bonds (distance) P-C4' energy: -44.976
flat angles C4'-P-C4' energy: -50.504
flat angles P-C4'-P energy: -36.375
tors. eta vs tors. theta energy: -73.507
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: 3, replica: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -763.008321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.008321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.008321 (E_RNA)
where:
Base-Base interactions energy: -513.045
where: short stacking energy: -239.768
Base-Backbone interact. energy: -0.815
local terms energy: -249.147803
where:
bonds (distance) C4'-P energy: -53.339
bonds (distance) P-C4' energy: -41.955
flat angles C4'-P-C4' energy: -49.823
flat angles P-C4'-P energy: -38.141
tors. eta vs tors. theta energy: -65.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -714.742935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.742935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.742935 (E_RNA)
where:
Base-Base interactions energy: -495.516
where: short stacking energy: -215.593
Base-Backbone interact. energy: -1.169
local terms energy: -218.057591
where:
bonds (distance) C4'-P energy: -43.186
bonds (distance) P-C4' energy: -45.425
flat angles C4'-P-C4' energy: -52.472
flat angles P-C4'-P energy: -33.533
tors. eta vs tors. theta energy: -43.442
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: 5, replica: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -659.902074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.902074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.902074 (E_RNA)
where:
Base-Base interactions energy: -458.868
where: short stacking energy: -200.694
Base-Backbone interact. energy: -0.803
local terms energy: -200.231486
where:
bonds (distance) C4'-P energy: -36.887
bonds (distance) P-C4' energy: -41.237
flat angles C4'-P-C4' energy: -51.167
flat angles P-C4'-P energy: -28.391
tors. eta vs tors. theta energy: -42.549
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: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -553.001230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.001230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.001230 (E_RNA)
where:
Base-Base interactions energy: -365.581
where: short stacking energy: -167.674
Base-Backbone interact. energy: -2.126
local terms energy: -185.293891
where:
bonds (distance) C4'-P energy: -36.521
bonds (distance) P-C4' energy: -30.632
flat angles C4'-P-C4' energy: -49.173
flat angles P-C4'-P energy: -25.244
tors. eta vs tors. theta energy: -43.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -547.435042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.435042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.435042 (E_RNA)
where:
Base-Base interactions energy: -347.971
where: short stacking energy: -171.580
Base-Backbone interact. energy: -0.428
local terms energy: -199.035720
where:
bonds (distance) C4'-P energy: -40.583
bonds (distance) P-C4' energy: -45.971
flat angles C4'-P-C4' energy: -36.856
flat angles P-C4'-P energy: -34.919
tors. eta vs tors. theta energy: -40.707
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: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -530.059135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.059135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.059135 (E_RNA)
where:
Base-Base interactions energy: -339.097
where: short stacking energy: -158.798
Base-Backbone interact. energy: -0.726
local terms energy: -190.236559
where:
bonds (distance) C4'-P energy: -43.078
bonds (distance) P-C4' energy: -41.298
flat angles C4'-P-C4' energy: -42.761
flat angles P-C4'-P energy: -30.069
tors. eta vs tors. theta energy: -33.031
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: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -237.680645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.680645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.680645 (E_RNA)
where:
Base-Base interactions energy: -100.198
where: short stacking energy: -69.769
Base-Backbone interact. energy: -0.541
local terms energy: -136.941146
where:
bonds (distance) C4'-P energy: -39.210
bonds (distance) P-C4' energy: -43.298
flat angles C4'-P-C4' energy: -35.019
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: 0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -240.889562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.889562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.889562 (E_RNA)
where:
Base-Base interactions energy: -98.839
where: short stacking energy: -75.776
Base-Backbone interact. energy: 1.941
local terms energy: -143.990968
where:
bonds (distance) C4'-P energy: -39.398
bonds (distance) P-C4' energy: -42.913
flat angles C4'-P-C4' energy: -41.584
flat angles P-C4'-P energy: -20.546
tors. eta vs tors. theta energy: 0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -842.142985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.142985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.142985 (E_RNA)
where:
Base-Base interactions energy: -576.063
where: short stacking energy: -281.428
Base-Backbone interact. energy: -0.799
local terms energy: -265.280355
where:
bonds (distance) C4'-P energy: -45.136
bonds (distance) P-C4' energy: -43.832
flat angles C4'-P-C4' energy: -54.835
flat angles P-C4'-P energy: -39.794
tors. eta vs tors. theta energy: -81.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -779.532590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.532590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.532590 (E_RNA)
where:
Base-Base interactions energy: -524.440
where: short stacking energy: -229.268
Base-Backbone interact. energy: -1.824
local terms energy: -253.268843
where:
bonds (distance) C4'-P energy: -44.937
bonds (distance) P-C4' energy: -46.412
flat angles C4'-P-C4' energy: -58.139
flat angles P-C4'-P energy: -41.753
tors. eta vs tors. theta energy: -62.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -737.103078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.103078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.103078 (E_RNA)
where:
Base-Base interactions energy: -472.512
where: short stacking energy: -230.964
Base-Backbone interact. energy: -2.325
local terms energy: -262.265920
where:
bonds (distance) C4'-P energy: -50.947
bonds (distance) P-C4' energy: -51.689
flat angles C4'-P-C4' energy: -58.812
flat angles P-C4'-P energy: -30.595
tors. eta vs tors. theta energy: -70.223
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: 10
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -725.942881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.942881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.942881 (E_RNA)
where:
Base-Base interactions energy: -510.444
where: short stacking energy: -218.535
Base-Backbone interact. energy: -0.892
local terms energy: -214.607556
where:
bonds (distance) C4'-P energy: -39.481
bonds (distance) P-C4' energy: -32.938
flat angles C4'-P-C4' energy: -57.422
flat angles P-C4'-P energy: -38.126
tors. eta vs tors. theta energy: -46.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -656.953159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.953159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.953159 (E_RNA)
where:
Base-Base interactions energy: -440.769
where: short stacking energy: -203.757
Base-Backbone interact. energy: -0.059
local terms energy: -216.125573
where:
bonds (distance) C4'-P energy: -48.209
bonds (distance) P-C4' energy: -45.474
flat angles C4'-P-C4' energy: -41.610
flat angles P-C4'-P energy: -29.660
tors. eta vs tors. theta energy: -51.173
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: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -580.845999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.845999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.845999 (E_RNA)
where:
Base-Base interactions energy: -368.163
where: short stacking energy: -164.957
Base-Backbone interact. energy: -1.201
local terms energy: -211.482597
where:
bonds (distance) C4'-P energy: -40.681
bonds (distance) P-C4' energy: -45.307
flat angles C4'-P-C4' energy: -43.839
flat angles P-C4'-P energy: -29.423
tors. eta vs tors. theta energy: -52.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -531.781140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.781140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.781140 (E_RNA)
where:
Base-Base interactions energy: -337.505
where: short stacking energy: -143.751
Base-Backbone interact. energy: -1.240
local terms energy: -193.036194
where:
bonds (distance) C4'-P energy: -44.367
bonds (distance) P-C4' energy: -50.894
flat angles C4'-P-C4' energy: -39.503
flat angles P-C4'-P energy: -27.070
tors. eta vs tors. theta energy: -31.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -532.845873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.845873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.845873 (E_RNA)
where:
Base-Base interactions energy: -357.811
where: short stacking energy: -178.136
Base-Backbone interact. energy: -0.738
local terms energy: -174.297365
where:
bonds (distance) C4'-P energy: -34.965
bonds (distance) P-C4' energy: -39.114
flat angles C4'-P-C4' energy: -42.050
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -37.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -228.562352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.562352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.562352 (E_RNA)
where:
Base-Base interactions energy: -108.229
where: short stacking energy: -61.568
Base-Backbone interact. energy: 2.368
local terms energy: -122.701901
where:
bonds (distance) C4'-P energy: -48.091
bonds (distance) P-C4' energy: -38.419
flat angles C4'-P-C4' energy: -31.342
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: 0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -255.874072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.874072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.874072 (E_RNA)
where:
Base-Base interactions energy: -111.082
where: short stacking energy: -78.357
Base-Backbone interact. energy: -0.511
local terms energy: -144.280720
where:
bonds (distance) C4'-P energy: -41.860
bonds (distance) P-C4' energy: -45.552
flat angles C4'-P-C4' energy: -36.302
flat angles P-C4'-P energy: -23.495
tors. eta vs tors. theta energy: 2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -829.262745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.262745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.262745 (E_RNA)
where:
Base-Base interactions energy: -560.792
where: short stacking energy: -270.542
Base-Backbone interact. energy: -0.116
local terms energy: -268.354937
where:
bonds (distance) C4'-P energy: -44.802
bonds (distance) P-C4' energy: -53.404
flat angles C4'-P-C4' energy: -57.096
flat angles P-C4'-P energy: -34.324
tors. eta vs tors. theta energy: -78.729
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: 6
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -784.345547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.345547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.345547 (E_RNA)
where:
Base-Base interactions energy: -533.802
where: short stacking energy: -252.357
Base-Backbone interact. energy: -2.119
local terms energy: -248.424932
where:
bonds (distance) C4'-P energy: -48.463
bonds (distance) P-C4' energy: -41.580
flat angles C4'-P-C4' energy: -53.022
flat angles P-C4'-P energy: -34.613
tors. eta vs tors. theta energy: -70.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -741.632144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.632144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.632144 (E_RNA)
where:
Base-Base interactions energy: -493.681
where: short stacking energy: -241.427
Base-Backbone interact. energy: -1.050
local terms energy: -246.901257
where:
bonds (distance) C4'-P energy: -52.080
bonds (distance) P-C4' energy: -43.680
flat angles C4'-P-C4' energy: -53.990
flat angles P-C4'-P energy: -32.030
tors. eta vs tors. theta energy: -65.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -724.514469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.514469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.514469 (E_RNA)
where:
Base-Base interactions energy: -514.762
where: short stacking energy: -208.022
Base-Backbone interact. energy: -1.113
local terms energy: -208.639674
where:
bonds (distance) C4'-P energy: -39.408
bonds (distance) P-C4' energy: -36.432
flat angles C4'-P-C4' energy: -43.265
flat angles P-C4'-P energy: -33.934
tors. eta vs tors. theta energy: -55.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -639.305185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.305185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.305185 (E_RNA)
where:
Base-Base interactions energy: -412.649
where: short stacking energy: -190.957
Base-Backbone interact. energy: -0.877
local terms energy: -225.779089
where:
bonds (distance) C4'-P energy: -50.382
bonds (distance) P-C4' energy: -50.600
flat angles C4'-P-C4' energy: -43.045
flat angles P-C4'-P energy: -33.959
tors. eta vs tors. theta energy: -47.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -534.261719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.261719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.261719 (E_RNA)
where:
Base-Base interactions energy: -338.000
where: short stacking energy: -146.812
Base-Backbone interact. energy: -1.266
local terms energy: -194.995673
where:
bonds (distance) C4'-P energy: -43.785
bonds (distance) P-C4' energy: -42.574
flat angles C4'-P-C4' energy: -47.755
flat angles P-C4'-P energy: -30.819
tors. eta vs tors. theta energy: -30.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -514.466319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.466319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.466319 (E_RNA)
where:
Base-Base interactions energy: -330.610
where: short stacking energy: -154.629
Base-Backbone interact. energy: 2.200
local terms energy: -186.056263
where:
bonds (distance) C4'-P energy: -36.502
bonds (distance) P-C4' energy: -47.136
flat angles C4'-P-C4' energy: -41.441
flat angles P-C4'-P energy: -26.292
tors. eta vs tors. theta energy: -34.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -498.710741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.710741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.710741 (E_RNA)
where:
Base-Base interactions energy: -321.171
where: short stacking energy: -133.667
Base-Backbone interact. energy: -0.832
local terms energy: -176.707116
where:
bonds (distance) C4'-P energy: -34.272
bonds (distance) P-C4' energy: -42.101
flat angles C4'-P-C4' energy: -44.153
flat angles P-C4'-P energy: -26.206
tors. eta vs tors. theta energy: -29.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -276.590835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.590835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.590835 (E_RNA)
where:
Base-Base interactions energy: -131.380
where: short stacking energy: -82.474
Base-Backbone interact. energy: 0.274
local terms energy: -145.484282
where:
bonds (distance) C4'-P energy: -38.499
bonds (distance) P-C4' energy: -47.611
flat angles C4'-P-C4' energy: -28.358
flat angles P-C4'-P energy: -22.211
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -220.648943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.648943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.648943 (E_RNA)
where:
Base-Base interactions energy: -89.499
where: short stacking energy: -68.583
Base-Backbone interact. energy: 2.246
local terms energy: -133.396109
where:
bonds (distance) C4'-P energy: -33.084
bonds (distance) P-C4' energy: -38.066
flat angles C4'-P-C4' energy: -39.094
flat angles P-C4'-P energy: -27.724
tors. eta vs tors. theta energy: 4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -830.700308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.700308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.700308 (E_RNA)
where:
Base-Base interactions energy: -559.175
where: short stacking energy: -265.411
Base-Backbone interact. energy: -1.714
local terms energy: -269.811821
where:
bonds (distance) C4'-P energy: -46.110
bonds (distance) P-C4' energy: -49.983
flat angles C4'-P-C4' energy: -52.167
flat angles P-C4'-P energy: -40.967
tors. eta vs tors. theta energy: -80.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -796.097782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.097782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.097782 (E_RNA)
where:
Base-Base interactions energy: -528.262
where: short stacking energy: -244.021
Base-Backbone interact. energy: -2.406
local terms energy: -265.430071
where:
bonds (distance) C4'-P energy: -50.094
bonds (distance) P-C4' energy: -45.027
flat angles C4'-P-C4' energy: -60.647
flat angles P-C4'-P energy: -39.261
tors. eta vs tors. theta energy: -70.401
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: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -721.394359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.394359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.394359 (E_RNA)
where:
Base-Base interactions energy: -487.321
where: short stacking energy: -228.142
Base-Backbone interact. energy: -1.823
local terms energy: -232.250273
where:
bonds (distance) C4'-P energy: -38.005
bonds (distance) P-C4' energy: -49.731
flat angles C4'-P-C4' energy: -53.506
flat angles P-C4'-P energy: -27.788
tors. eta vs tors. theta energy: -63.220
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: 4, replica: 10
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -725.056192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.056192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.056192 (E_RNA)
where:
Base-Base interactions energy: -500.309
where: short stacking energy: -216.036
Base-Backbone interact. energy: -0.396
local terms energy: -224.351166
where:
bonds (distance) C4'-P energy: -42.475
bonds (distance) P-C4' energy: -47.138
flat angles C4'-P-C4' energy: -49.547
flat angles P-C4'-P energy: -30.534
tors. eta vs tors. theta energy: -54.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -658.071356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.071356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.071356 (E_RNA)
where:
Base-Base interactions energy: -425.422
where: short stacking energy: -202.412
Base-Backbone interact. energy: 0.200
local terms energy: -232.849577
where:
bonds (distance) C4'-P energy: -45.406
bonds (distance) P-C4' energy: -43.991
flat angles C4'-P-C4' energy: -53.417
flat angles P-C4'-P energy: -35.411
tors. eta vs tors. theta energy: -54.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -567.264648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.264648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.264648 (E_RNA)
where:
Base-Base interactions energy: -359.972
where: short stacking energy: -165.925
Base-Backbone interact. energy: -2.283
local terms energy: -205.008975
where:
bonds (distance) C4'-P energy: -42.954
bonds (distance) P-C4' energy: -45.944
flat angles C4'-P-C4' energy: -42.492
flat angles P-C4'-P energy: -28.039
tors. eta vs tors. theta energy: -45.580
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: 7, replica: 9
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -564.663358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.663358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.663358 (E_RNA)
where:
Base-Base interactions energy: -357.535
where: short stacking energy: -180.713
Base-Backbone interact. energy: -1.675
local terms energy: -205.453388
where:
bonds (distance) C4'-P energy: -34.689
bonds (distance) P-C4' energy: -45.988
flat angles C4'-P-C4' energy: -43.578
flat angles P-C4'-P energy: -30.749
tors. eta vs tors. theta energy: -50.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -451.872611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.872611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.872611 (E_RNA)
where:
Base-Base interactions energy: -290.056
where: short stacking energy: -152.816
Base-Backbone interact. energy: -0.457
local terms energy: -161.359200
where:
bonds (distance) C4'-P energy: -37.046
bonds (distance) P-C4' energy: -39.736
flat angles C4'-P-C4' energy: -39.854
flat angles P-C4'-P energy: -23.448
tors. eta vs tors. theta energy: -21.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -292.159144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.159144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.159144 (E_RNA)
where:
Base-Base interactions energy: -123.910
where: short stacking energy: -69.082
Base-Backbone interact. energy: -1.970
local terms energy: -166.278588
where:
bonds (distance) C4'-P energy: -48.470
bonds (distance) P-C4' energy: -49.884
flat angles C4'-P-C4' energy: -41.966
flat angles P-C4'-P energy: -23.023
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -298.827280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.827280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.827280 (E_RNA)
where:
Base-Base interactions energy: -150.040
where: short stacking energy: -69.523
Base-Backbone interact. energy: -1.618
local terms energy: -147.168696
where:
bonds (distance) C4'-P energy: -37.145
bonds (distance) P-C4' energy: -39.659
flat angles C4'-P-C4' energy: -37.860
flat angles P-C4'-P energy: -28.623
tors. eta vs tors. theta energy: -3.881
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: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -822.018762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.018762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.018762 (E_RNA)
where:
Base-Base interactions energy: -546.825
where: short stacking energy: -267.687
Base-Backbone interact. energy: -0.752
local terms energy: -274.441348
where:
bonds (distance) C4'-P energy: -49.905
bonds (distance) P-C4' energy: -48.973
flat angles C4'-P-C4' energy: -58.497
flat angles P-C4'-P energy: -38.742
tors. eta vs tors. theta energy: -78.323
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: 76
Temperature: 0.950000
Total energy: -791.217504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.217504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.217504 (E_RNA)
where:
Base-Base interactions energy: -541.933
where: short stacking energy: -253.451
Base-Backbone interact. energy: -1.304
local terms energy: -247.980515
where:
bonds (distance) C4'-P energy: -40.771
bonds (distance) P-C4' energy: -47.775
flat angles C4'-P-C4' energy: -48.427
flat angles P-C4'-P energy: -41.412
tors. eta vs tors. theta energy: -69.595
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: 10
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -750.481369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.481369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.481369 (E_RNA)
where:
Base-Base interactions energy: -505.865
where: short stacking energy: -219.052
Base-Backbone interact. energy: -1.342
local terms energy: -243.273856
where:
bonds (distance) C4'-P energy: -55.864
bonds (distance) P-C4' energy: -49.756
flat angles C4'-P-C4' energy: -51.139
flat angles P-C4'-P energy: -29.866
tors. eta vs tors. theta energy: -56.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -676.144812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.144812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.144812 (E_RNA)
where:
Base-Base interactions energy: -460.303
where: short stacking energy: -210.696
Base-Backbone interact. energy: -0.906
local terms energy: -214.935617
where:
bonds (distance) C4'-P energy: -35.532
bonds (distance) P-C4' energy: -49.819
flat angles C4'-P-C4' energy: -49.548
flat angles P-C4'-P energy: -29.319
tors. eta vs tors. theta energy: -50.718
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: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -669.080356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.080356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.080356 (E_RNA)
where:
Base-Base interactions energy: -447.384
where: short stacking energy: -201.845
Base-Backbone interact. energy: 0.471
local terms energy: -222.167401
where:
bonds (distance) C4'-P energy: -36.518
bonds (distance) P-C4' energy: -43.969
flat angles C4'-P-C4' energy: -49.533
flat angles P-C4'-P energy: -33.521
tors. eta vs tors. theta energy: -58.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -554.160658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.160658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.160658 (E_RNA)
where:
Base-Base interactions energy: -361.457
where: short stacking energy: -156.219
Base-Backbone interact. energy: -1.286
local terms energy: -191.417751
where:
bonds (distance) C4'-P energy: -46.240
bonds (distance) P-C4' energy: -42.742
flat angles C4'-P-C4' energy: -43.248
flat angles P-C4'-P energy: -26.382
tors. eta vs tors. theta energy: -32.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -566.093735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.093735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.093735 (E_RNA)
where:
Base-Base interactions energy: -359.344
where: short stacking energy: -178.475
Base-Backbone interact. energy: -0.811
local terms energy: -205.937896
where:
bonds (distance) C4'-P energy: -42.278
bonds (distance) P-C4' energy: -45.901
flat angles C4'-P-C4' energy: -44.388
flat angles P-C4'-P energy: -24.976
tors. eta vs tors. theta energy: -48.396
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: 8, replica: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -475.322212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.322212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.322212 (E_RNA)
where:
Base-Base interactions energy: -291.029
where: short stacking energy: -131.492
Base-Backbone interact. energy: -0.060
local terms energy: -184.233181
where:
bonds (distance) C4'-P energy: -49.787
bonds (distance) P-C4' energy: -46.755
flat angles C4'-P-C4' energy: -38.502
flat angles P-C4'-P energy: -26.214
tors. eta vs tors. theta energy: -22.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -291.276456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.276456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.276456 (E_RNA)
where:
Base-Base interactions energy: -133.213
where: short stacking energy: -76.058
Base-Backbone interact. energy: 0.242
local terms energy: -158.305899
where:
bonds (distance) C4'-P energy: -38.540
bonds (distance) P-C4' energy: -49.371
flat angles C4'-P-C4' energy: -41.745
flat angles P-C4'-P energy: -28.174
tors. eta vs tors. theta energy: -0.476
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: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -263.234546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.234546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.234546 (E_RNA)
where:
Base-Base interactions energy: -141.787
where: short stacking energy: -87.455
Base-Backbone interact. energy: -0.190
local terms energy: -121.256862
where:
bonds (distance) C4'-P energy: -38.596
bonds (distance) P-C4' energy: -36.218
flat angles C4'-P-C4' energy: -26.971
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -831.860456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.860456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.860456 (E_RNA)
where:
Base-Base interactions energy: -565.823
where: short stacking energy: -275.256
Base-Backbone interact. energy: -0.775
local terms energy: -265.262658
where:
bonds (distance) C4'-P energy: -39.402
bonds (distance) P-C4' energy: -54.909
flat angles C4'-P-C4' energy: -52.242
flat angles P-C4'-P energy: -39.337
tors. eta vs tors. theta energy: -79.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -784.211324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.211324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.211324 (E_RNA)
where:
Base-Base interactions energy: -515.776
where: short stacking energy: -244.805
Base-Backbone interact. energy: -1.206
local terms energy: -267.229195
where:
bonds (distance) C4'-P energy: -49.961
bonds (distance) P-C4' energy: -50.791
flat angles C4'-P-C4' energy: -53.690
flat angles P-C4'-P energy: -42.561
tors. eta vs tors. theta energy: -70.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -756.219147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.219147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.219147 (E_RNA)
where:
Base-Base interactions energy: -510.309
where: short stacking energy: -228.420
Base-Backbone interact. energy: -1.990
local terms energy: -243.919865
where:
bonds (distance) C4'-P energy: -45.871
bonds (distance) P-C4' energy: -53.200
flat angles C4'-P-C4' energy: -51.186
flat angles P-C4'-P energy: -42.641
tors. eta vs tors. theta energy: -51.021
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: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -684.990702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.990702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.990702 (E_RNA)
where:
Base-Base interactions energy: -445.833
where: short stacking energy: -214.051
Base-Backbone interact. energy: -1.053
local terms energy: -238.105428
where:
bonds (distance) C4'-P energy: -41.994
bonds (distance) P-C4' energy: -51.138
flat angles C4'-P-C4' energy: -45.227
flat angles P-C4'-P energy: -34.167
tors. eta vs tors. theta energy: -65.580
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: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -628.806442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.806442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.806442 (E_RNA)
where:
Base-Base interactions energy: -418.800
where: short stacking energy: -189.021
Base-Backbone interact. energy: -1.345
local terms energy: -208.661011
where:
bonds (distance) C4'-P energy: -34.435
bonds (distance) P-C4' energy: -51.991
flat angles C4'-P-C4' energy: -44.708
flat angles P-C4'-P energy: -34.116
tors. eta vs tors. theta energy: -43.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -554.831833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.831833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.831833 (E_RNA)
where:
Base-Base interactions energy: -359.593
where: short stacking energy: -161.148
Base-Backbone interact. energy: -0.990
local terms energy: -194.248567
where:
bonds (distance) C4'-P energy: -49.570
bonds (distance) P-C4' energy: -40.764
flat angles C4'-P-C4' energy: -44.375
flat angles P-C4'-P energy: -25.629
tors. eta vs tors. theta energy: -33.910
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: 9
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -519.111664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.111664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.111664 (E_RNA)
where:
Base-Base interactions energy: -327.542
where: short stacking energy: -153.990
Base-Backbone interact. energy: 0.061
local terms energy: -191.630822
where:
bonds (distance) C4'-P energy: -34.588
bonds (distance) P-C4' energy: -40.875
flat angles C4'-P-C4' energy: -46.142
flat angles P-C4'-P energy: -23.923
tors. eta vs tors. theta energy: -46.102
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: 2
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -497.748213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.748213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.748213 (E_RNA)
where:
Base-Base interactions energy: -312.851
where: short stacking energy: -149.849
Base-Backbone interact. energy: -1.622
local terms energy: -183.274617
where:
bonds (distance) C4'-P energy: -40.991
bonds (distance) P-C4' energy: -45.628
flat angles C4'-P-C4' energy: -34.895
flat angles P-C4'-P energy: -22.163
tors. eta vs tors. theta energy: -39.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -337.196574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.196574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.196574 (E_RNA)
where:
Base-Base interactions energy: -181.673
where: short stacking energy: -110.531
Base-Backbone interact. energy: -0.871
local terms energy: -154.652467
where:
bonds (distance) C4'-P energy: -47.440
bonds (distance) P-C4' energy: -40.035
flat angles C4'-P-C4' energy: -31.111
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -12.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -279.553372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.553372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.553372 (E_RNA)
where:
Base-Base interactions energy: -129.794
where: short stacking energy: -76.899
Base-Backbone interact. energy: 2.791
local terms energy: -152.550683
where:
bonds (distance) C4'-P energy: -45.183
bonds (distance) P-C4' energy: -48.412
flat angles C4'-P-C4' energy: -40.303
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: 2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -833.973754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.973754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.973754 (E_RNA)
where:
Base-Base interactions energy: -566.200
where: short stacking energy: -267.389
Base-Backbone interact. energy: -0.519
local terms energy: -267.255238
where:
bonds (distance) C4'-P energy: -53.365
bonds (distance) P-C4' energy: -46.680
flat angles C4'-P-C4' energy: -55.216
flat angles P-C4'-P energy: -33.934
tors. eta vs tors. theta energy: -78.060
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: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -797.226567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.226567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.226567 (E_RNA)
where:
Base-Base interactions energy: -549.281
where: short stacking energy: -256.804
Base-Backbone interact. energy: -1.699
local terms energy: -246.246819
where:
bonds (distance) C4'-P energy: -43.237
bonds (distance) P-C4' energy: -38.206
flat angles C4'-P-C4' energy: -52.128
flat angles P-C4'-P energy: -37.465
tors. eta vs tors. theta energy: -75.211
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: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -717.930449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.930449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.930449 (E_RNA)
where:
Base-Base interactions energy: -469.696
where: short stacking energy: -216.508
Base-Backbone interact. energy: -1.695
local terms energy: -246.540252
where:
bonds (distance) C4'-P energy: -46.683
bonds (distance) P-C4' energy: -41.115
flat angles C4'-P-C4' energy: -51.153
flat angles P-C4'-P energy: -43.728
tors. eta vs tors. theta energy: -63.862
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: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -728.345186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.345186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.345186 (E_RNA)
where:
Base-Base interactions energy: -495.446
where: short stacking energy: -207.342
Base-Backbone interact. energy: -0.852
local terms energy: -232.047394
where:
bonds (distance) C4'-P energy: -49.145
bonds (distance) P-C4' energy: -39.373
flat angles C4'-P-C4' energy: -47.177
flat angles P-C4'-P energy: -43.379
tors. eta vs tors. theta energy: -52.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -590.912109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.912109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.912109 (E_RNA)
where:
Base-Base interactions energy: -390.615
where: short stacking energy: -170.068
Base-Backbone interact. energy: -1.761
local terms energy: -198.536525
where:
bonds (distance) C4'-P energy: -37.833
bonds (distance) P-C4' energy: -45.188
flat angles C4'-P-C4' energy: -40.914
flat angles P-C4'-P energy: -29.388
tors. eta vs tors. theta energy: -45.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -651.001957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.001957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.001957 (E_RNA)
where:
Base-Base interactions energy: -442.424
where: short stacking energy: -187.726
Base-Backbone interact. energy: 1.367
local terms energy: -209.944619
where:
bonds (distance) C4'-P energy: -46.127
bonds (distance) P-C4' energy: -40.144
flat angles C4'-P-C4' energy: -52.578
flat angles P-C4'-P energy: -27.621
tors. eta vs tors. theta energy: -43.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -513.916376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.916376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.916376 (E_RNA)
where:
Base-Base interactions energy: -312.759
where: short stacking energy: -154.682
Base-Backbone interact. energy: -0.137
local terms energy: -201.020565
where:
bonds (distance) C4'-P energy: -38.367
bonds (distance) P-C4' energy: -44.679
flat angles C4'-P-C4' energy: -55.146
flat angles P-C4'-P energy: -29.119
tors. eta vs tors. theta energy: -33.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -535.516057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.516057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.516057 (E_RNA)
where:
Base-Base interactions energy: -351.222
where: short stacking energy: -182.004
Base-Backbone interact. energy: -0.890
local terms energy: -183.404335
where:
bonds (distance) C4'-P energy: -34.631
bonds (distance) P-C4' energy: -39.710
flat angles C4'-P-C4' energy: -46.740
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -41.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -351.389739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.389739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.389739 (E_RNA)
where:
Base-Base interactions energy: -186.522
where: short stacking energy: -97.297
Base-Backbone interact. energy: -1.268
local terms energy: -163.600019
where:
bonds (distance) C4'-P energy: -40.642
bonds (distance) P-C4' energy: -46.149
flat angles C4'-P-C4' energy: -37.709
flat angles P-C4'-P energy: -29.976
tors. eta vs tors. theta energy: -9.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -209.549132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.549132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.549132 (E_RNA)
where:
Base-Base interactions energy: -83.574
where: short stacking energy: -77.206
Base-Backbone interact. energy: 2.776
local terms energy: -128.751155
where:
bonds (distance) C4'-P energy: -35.661
bonds (distance) P-C4' energy: -44.698
flat angles C4'-P-C4' energy: -25.432
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -822.423591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.423591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.423591 (E_RNA)
where:
Base-Base interactions energy: -555.172
where: short stacking energy: -248.364
Base-Backbone interact. energy: -0.907
local terms energy: -266.344339
where:
bonds (distance) C4'-P energy: -51.388
bonds (distance) P-C4' energy: -51.992
flat angles C4'-P-C4' energy: -54.485
flat angles P-C4'-P energy: -35.699
tors. eta vs tors. theta energy: -72.780
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: 79
Temperature: 0.950000
Total energy: -794.660889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.660889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.660889 (E_RNA)
where:
Base-Base interactions energy: -535.783
where: short stacking energy: -251.338
Base-Backbone interact. energy: -2.209
local terms energy: -256.668497
where:
bonds (distance) C4'-P energy: -47.022
bonds (distance) P-C4' energy: -46.783
flat angles C4'-P-C4' energy: -54.415
flat angles P-C4'-P energy: -29.310
tors. eta vs tors. theta energy: -79.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -715.588072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.588072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.588072 (E_RNA)
where:
Base-Base interactions energy: -475.395
where: short stacking energy: -217.442
Base-Backbone interact. energy: -1.888
local terms energy: -238.305020
where:
bonds (distance) C4'-P energy: -51.314
bonds (distance) P-C4' energy: -44.607
flat angles C4'-P-C4' energy: -49.808
flat angles P-C4'-P energy: -32.049
tors. eta vs tors. theta energy: -60.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -730.524872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.524872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.524872 (E_RNA)
where:
Base-Base interactions energy: -505.689
where: short stacking energy: -216.358
Base-Backbone interact. energy: 1.777
local terms energy: -226.613330
where:
bonds (distance) C4'-P energy: -43.097
bonds (distance) P-C4' energy: -45.456
flat angles C4'-P-C4' energy: -47.723
flat angles P-C4'-P energy: -39.491
tors. eta vs tors. theta energy: -50.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -563.725607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.725607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.725607 (E_RNA)
where:
Base-Base interactions energy: -367.753
where: short stacking energy: -168.166
Base-Backbone interact. energy: 0.426
local terms energy: -196.398616
where:
bonds (distance) C4'-P energy: -42.811
bonds (distance) P-C4' energy: -45.658
flat angles C4'-P-C4' energy: -44.654
flat angles P-C4'-P energy: -33.448
tors. eta vs tors. theta energy: -29.828
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: 4
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -638.032035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.032035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.032035 (E_RNA)
where:
Base-Base interactions energy: -427.928
where: short stacking energy: -185.277
Base-Backbone interact. energy: -0.226
local terms energy: -209.877649
where:
bonds (distance) C4'-P energy: -42.323
bonds (distance) P-C4' energy: -51.256
flat angles C4'-P-C4' energy: -46.056
flat angles P-C4'-P energy: -25.629
tors. eta vs tors. theta energy: -44.614
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: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -552.813164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.813164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.813164 (E_RNA)
where:
Base-Base interactions energy: -355.810
where: short stacking energy: -168.127
Base-Backbone interact. energy: -1.009
local terms energy: -195.993675
where:
bonds (distance) C4'-P energy: -40.718
bonds (distance) P-C4' energy: -37.029
flat angles C4'-P-C4' energy: -45.287
flat angles P-C4'-P energy: -31.340
tors. eta vs tors. theta energy: -41.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -508.893459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.893459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.893459 (E_RNA)
where:
Base-Base interactions energy: -302.163
where: short stacking energy: -154.993
Base-Backbone interact. energy: -0.338
local terms energy: -206.393135
where:
bonds (distance) C4'-P energy: -41.528
bonds (distance) P-C4' energy: -53.029
flat angles C4'-P-C4' energy: -46.427
flat angles P-C4'-P energy: -34.115
tors. eta vs tors. theta energy: -31.294
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: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -336.297615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.297615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.297615 (E_RNA)
where:
Base-Base interactions energy: -169.189
where: short stacking energy: -109.255
Base-Backbone interact. energy: -0.000
local terms energy: -167.108716
where:
bonds (distance) C4'-P energy: -44.116
bonds (distance) P-C4' energy: -47.069
flat angles C4'-P-C4' energy: -37.072
flat angles P-C4'-P energy: -32.158
tors. eta vs tors. theta energy: -6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -222.033586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.033586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.033586 (E_RNA)
where:
Base-Base interactions energy: -94.255
where: short stacking energy: -77.355
Base-Backbone interact. energy: 0.525
local terms energy: -128.303884
where:
bonds (distance) C4'-P energy: -33.956
bonds (distance) P-C4' energy: -49.559
flat angles C4'-P-C4' energy: -28.480
flat angles P-C4'-P energy: -18.370
tors. eta vs tors. theta energy: 2.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -828.500208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.500208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.500208 (E_RNA)
where:
Base-Base interactions energy: -536.550
where: short stacking energy: -277.501
Base-Backbone interact. energy: 0.344
local terms energy: -292.294047
where:
bonds (distance) C4'-P energy: -55.785
bonds (distance) P-C4' energy: -48.960
flat angles C4'-P-C4' energy: -60.242
flat angles P-C4'-P energy: -42.976
tors. eta vs tors. theta energy: -84.332
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: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -790.556692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.556692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.556692 (E_RNA)
where:
Base-Base interactions energy: -536.942
where: short stacking energy: -242.340
Base-Backbone interact. energy: -2.146
local terms energy: -251.468779
where:
bonds (distance) C4'-P energy: -46.665
bonds (distance) P-C4' energy: -46.287
flat angles C4'-P-C4' energy: -47.857
flat angles P-C4'-P energy: -35.179
tors. eta vs tors. theta energy: -75.481
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: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -748.453239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.453239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.453239 (E_RNA)
where:
Base-Base interactions energy: -509.776
where: short stacking energy: -226.700
Base-Backbone interact. energy: -2.203
local terms energy: -236.474596
where:
bonds (distance) C4'-P energy: -44.473
bonds (distance) P-C4' energy: -46.485
flat angles C4'-P-C4' energy: -54.145
flat angles P-C4'-P energy: -37.990
tors. eta vs tors. theta energy: -53.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -688.112575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.112575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.112575 (E_RNA)
where:
Base-Base interactions energy: -447.279
where: short stacking energy: -221.180
Base-Backbone interact. energy: -1.116
local terms energy: -239.716868
where:
bonds (distance) C4'-P energy: -38.497
bonds (distance) P-C4' energy: -47.224
flat angles C4'-P-C4' energy: -55.432
flat angles P-C4'-P energy: -32.084
tors. eta vs tors. theta energy: -66.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -662.128426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.128426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.128426 (E_RNA)
where:
Base-Base interactions energy: -450.054
where: short stacking energy: -184.993
Base-Backbone interact. energy: -0.564
local terms energy: -211.510587
where:
bonds (distance) C4'-P energy: -45.341
bonds (distance) P-C4' energy: -49.539
flat angles C4'-P-C4' energy: -46.445
flat angles P-C4'-P energy: -28.032
tors. eta vs tors. theta energy: -42.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -551.752062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.752062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.752062 (E_RNA)
where:
Base-Base interactions energy: -357.788
where: short stacking energy: -171.132
Base-Backbone interact. energy: -1.471
local terms energy: -192.492631
where:
bonds (distance) C4'-P energy: -37.699
bonds (distance) P-C4' energy: -33.287
flat angles C4'-P-C4' energy: -49.593
flat angles P-C4'-P energy: -33.817
tors. eta vs tors. theta energy: -38.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -559.036585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.036585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.036585 (E_RNA)
where:
Base-Base interactions energy: -353.841
where: short stacking energy: -158.349
Base-Backbone interact. energy: -0.758
local terms energy: -204.437680
where:
bonds (distance) C4'-P energy: -31.982
bonds (distance) P-C4' energy: -49.499
flat angles C4'-P-C4' energy: -49.414
flat angles P-C4'-P energy: -32.312
tors. eta vs tors. theta energy: -41.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -495.011724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.011724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.011724 (E_RNA)
where:
Base-Base interactions energy: -317.107
where: short stacking energy: -144.864
Base-Backbone interact. energy: -1.886
local terms energy: -176.018396
where:
bonds (distance) C4'-P energy: -41.490
bonds (distance) P-C4' energy: -38.863
flat angles C4'-P-C4' energy: -38.168
flat angles P-C4'-P energy: -29.131
tors. eta vs tors. theta energy: -28.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -294.363805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.363805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.363805 (E_RNA)
where:
Base-Base interactions energy: -132.013
where: short stacking energy: -91.483
Base-Backbone interact. energy: -1.308
local terms energy: -161.043050
where:
bonds (distance) C4'-P energy: -43.979
bonds (distance) P-C4' energy: -45.289
flat angles C4'-P-C4' energy: -30.023
flat angles P-C4'-P energy: -19.830
tors. eta vs tors. theta energy: -21.923
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: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -299.665111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.665111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.665111 (E_RNA)
where:
Base-Base interactions energy: -159.106
where: short stacking energy: -95.415
Base-Backbone interact. energy: -0.971
local terms energy: -139.588810
where:
bonds (distance) C4'-P energy: -46.949
bonds (distance) P-C4' energy: -40.069
flat angles C4'-P-C4' energy: -30.474
flat angles P-C4'-P energy: -24.747
tors. eta vs tors. theta energy: 2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -829.035815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.035815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.035815 (E_RNA)
where:
Base-Base interactions energy: -538.792
where: short stacking energy: -252.285
Base-Backbone interact. energy: -0.598
local terms energy: -289.646191
where:
bonds (distance) C4'-P energy: -50.249
bonds (distance) P-C4' energy: -57.506
flat angles C4'-P-C4' energy: -56.631
flat angles P-C4'-P energy: -42.323
tors. eta vs tors. theta energy: -82.938
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: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -798.486719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.486719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.486719 (E_RNA)
where:
Base-Base interactions energy: -539.665
where: short stacking energy: -253.777
Base-Backbone interact. energy: -1.658
local terms energy: -257.163651
where:
bonds (distance) C4'-P energy: -51.364
bonds (distance) P-C4' energy: -46.414
flat angles C4'-P-C4' energy: -52.443
flat angles P-C4'-P energy: -33.194
tors. eta vs tors. theta energy: -73.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -767.896569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.896569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.896569 (E_RNA)
where:
Base-Base interactions energy: -532.548
where: short stacking energy: -231.946
Base-Backbone interact. energy: -2.237
local terms energy: -233.111785
where:
bonds (distance) C4'-P energy: -40.964
bonds (distance) P-C4' energy: -57.776
flat angles C4'-P-C4' energy: -48.896
flat angles P-C4'-P energy: -28.999
tors. eta vs tors. theta energy: -56.476
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: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -674.658045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.658045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.658045 (E_RNA)
where:
Base-Base interactions energy: -450.445
where: short stacking energy: -204.913
Base-Backbone interact. energy: 0.603
local terms energy: -224.815821
where:
bonds (distance) C4'-P energy: -45.849
bonds (distance) P-C4' energy: -47.061
flat angles C4'-P-C4' energy: -54.814
flat angles P-C4'-P energy: -27.844
tors. eta vs tors. theta energy: -49.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -659.501733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.501733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.501733 (E_RNA)
where:
Base-Base interactions energy: -433.273
where: short stacking energy: -182.400
Base-Backbone interact. energy: 0.480
local terms energy: -226.708697
where:
bonds (distance) C4'-P energy: -40.362
bonds (distance) P-C4' energy: -47.127
flat angles C4'-P-C4' energy: -53.497
flat angles P-C4'-P energy: -33.825
tors. eta vs tors. theta energy: -51.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -614.506023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.506023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.506023 (E_RNA)
where:
Base-Base interactions energy: -398.659
where: short stacking energy: -196.369
Base-Backbone interact. energy: 2.495
local terms energy: -218.342455
where:
bonds (distance) C4'-P energy: -44.561
bonds (distance) P-C4' energy: -48.639
flat angles C4'-P-C4' energy: -45.854
flat angles P-C4'-P energy: -35.365
tors. eta vs tors. theta energy: -43.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -504.739997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.739997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.739997 (E_RNA)
where:
Base-Base interactions energy: -299.301
where: short stacking energy: -149.842
Base-Backbone interact. energy: 1.625
local terms energy: -207.064189
where:
bonds (distance) C4'-P energy: -49.666
bonds (distance) P-C4' energy: -44.941
flat angles C4'-P-C4' energy: -48.399
flat angles P-C4'-P energy: -33.584
tors. eta vs tors. theta energy: -30.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -511.467460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.467460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.467460 (E_RNA)
where:
Base-Base interactions energy: -329.212
where: short stacking energy: -132.852
Base-Backbone interact. energy: -1.001
local terms energy: -181.254797
where:
bonds (distance) C4'-P energy: -32.431
bonds (distance) P-C4' energy: -44.185
flat angles C4'-P-C4' energy: -48.075
flat angles P-C4'-P energy: -23.908
tors. eta vs tors. theta energy: -32.656
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: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -240.910323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.910323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.910323 (E_RNA)
where:
Base-Base interactions energy: -107.214
where: short stacking energy: -94.730
Base-Backbone interact. energy: 1.036
local terms energy: -134.732385
where:
bonds (distance) C4'-P energy: -21.116
bonds (distance) P-C4' energy: -55.293
flat angles C4'-P-C4' energy: -32.669
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -11.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -317.538134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.538134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.538134 (E_RNA)
where:
Base-Base interactions energy: -179.440
where: short stacking energy: -119.608
Base-Backbone interact. energy: 3.299
local terms energy: -141.396632
where:
bonds (distance) C4'-P energy: -25.704
bonds (distance) P-C4' energy: -45.842
flat angles C4'-P-C4' energy: -29.402
flat angles P-C4'-P energy: -26.834
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -823.283069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.283069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.283069 (E_RNA)
where:
Base-Base interactions energy: -555.527
where: short stacking energy: -259.582
Base-Backbone interact. energy: -0.285
local terms energy: -267.471016
where:
bonds (distance) C4'-P energy: -45.294
bonds (distance) P-C4' energy: -48.263
flat angles C4'-P-C4' energy: -53.545
flat angles P-C4'-P energy: -42.969
tors. eta vs tors. theta energy: -77.400
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: 6
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -791.132381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.132381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.132381 (E_RNA)
where:
Base-Base interactions energy: -537.757
where: short stacking energy: -254.385
Base-Backbone interact. energy: -1.869
local terms energy: -251.505599
where:
bonds (distance) C4'-P energy: -45.645
bonds (distance) P-C4' energy: -48.316
flat angles C4'-P-C4' energy: -51.605
flat angles P-C4'-P energy: -30.607
tors. eta vs tors. theta energy: -75.332
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: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -747.923993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.923993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.923993 (E_RNA)
where:
Base-Base interactions energy: -508.284
where: short stacking energy: -217.307
Base-Backbone interact. energy: -1.542
local terms energy: -238.097898
where:
bonds (distance) C4'-P energy: -50.032
bonds (distance) P-C4' energy: -50.797
flat angles C4'-P-C4' energy: -48.922
flat angles P-C4'-P energy: -34.935
tors. eta vs tors. theta energy: -53.412
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: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -700.683704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.683704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.683704 (E_RNA)
where:
Base-Base interactions energy: -471.237
where: short stacking energy: -225.773
Base-Backbone interact. energy: -0.273
local terms energy: -229.173228
where:
bonds (distance) C4'-P energy: -43.011
bonds (distance) P-C4' energy: -45.734
flat angles C4'-P-C4' energy: -50.292
flat angles P-C4'-P energy: -24.987
tors. eta vs tors. theta energy: -65.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -641.998651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.998651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.998651 (E_RNA)
where:
Base-Base interactions energy: -417.076
where: short stacking energy: -184.938
Base-Backbone interact. energy: -1.296
local terms energy: -223.627431
where:
bonds (distance) C4'-P energy: -47.840
bonds (distance) P-C4' energy: -56.918
flat angles C4'-P-C4' energy: -44.475
flat angles P-C4'-P energy: -31.525
tors. eta vs tors. theta energy: -42.870
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: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -554.792945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.792945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.792945 (E_RNA)
where:
Base-Base interactions energy: -359.767
where: short stacking energy: -158.100
Base-Backbone interact. energy: -0.298
local terms energy: -194.727596
where:
bonds (distance) C4'-P energy: -42.478
bonds (distance) P-C4' energy: -45.287
flat angles C4'-P-C4' energy: -48.391
flat angles P-C4'-P energy: -26.664
tors. eta vs tors. theta energy: -31.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -543.346119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.346119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.346119 (E_RNA)
where:
Base-Base interactions energy: -361.017
where: short stacking energy: -182.963
Base-Backbone interact. energy: -1.063
local terms energy: -181.266094
where:
bonds (distance) C4'-P energy: -37.381
bonds (distance) P-C4' energy: -33.849
flat angles C4'-P-C4' energy: -43.060
flat angles P-C4'-P energy: -29.079
tors. eta vs tors. theta energy: -37.897
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: 8, replica: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -471.500235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.500235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.500235 (E_RNA)
where:
Base-Base interactions energy: -294.864
where: short stacking energy: -127.254
Base-Backbone interact. energy: -3.567
local terms energy: -173.068413
where:
bonds (distance) C4'-P energy: -42.863
bonds (distance) P-C4' energy: -39.328
flat angles C4'-P-C4' energy: -44.811
flat angles P-C4'-P energy: -19.448
tors. eta vs tors. theta energy: -26.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -312.988795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.988795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.988795 (E_RNA)
where:
Base-Base interactions energy: -172.304
where: short stacking energy: -94.020
Base-Backbone interact. energy: -1.318
local terms energy: -139.366684
where:
bonds (distance) C4'-P energy: -47.469
bonds (distance) P-C4' energy: -40.157
flat angles C4'-P-C4' energy: -33.578
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: 0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -215.849206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.849206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.849206 (E_RNA)
where:
Base-Base interactions energy: -84.401
where: short stacking energy: -61.430
Base-Backbone interact. energy: 1.162
local terms energy: -132.610357
where:
bonds (distance) C4'-P energy: -34.700
bonds (distance) P-C4' energy: -41.936
flat angles C4'-P-C4' energy: -42.635
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: 5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -822.637503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.637503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.637503 (E_RNA)
where:
Base-Base interactions energy: -557.041
where: short stacking energy: -265.267
Base-Backbone interact. energy: -0.322
local terms energy: -265.274951
where:
bonds (distance) C4'-P energy: -48.722
bonds (distance) P-C4' energy: -51.906
flat angles C4'-P-C4' energy: -53.911
flat angles P-C4'-P energy: -34.081
tors. eta vs tors. theta energy: -76.655
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: 2, replica: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -803.333678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.333678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.333678 (E_RNA)
where:
Base-Base interactions energy: -549.692
where: short stacking energy: -250.742
Base-Backbone interact. energy: -0.399
local terms energy: -253.242656
where:
bonds (distance) C4'-P energy: -41.215
bonds (distance) P-C4' energy: -51.914
flat angles C4'-P-C4' energy: -54.216
flat angles P-C4'-P energy: -28.691
tors. eta vs tors. theta energy: -77.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -755.538234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.538234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.538234 (E_RNA)
where:
Base-Base interactions energy: -508.562
where: short stacking energy: -219.750
Base-Backbone interact. energy: -2.045
local terms energy: -244.931475
where:
bonds (distance) C4'-P energy: -49.624
bonds (distance) P-C4' energy: -49.702
flat angles C4'-P-C4' energy: -57.058
flat angles P-C4'-P energy: -30.893
tors. eta vs tors. theta energy: -57.655
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: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -681.229098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.229098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.229098 (E_RNA)
where:
Base-Base interactions energy: -469.704
where: short stacking energy: -183.900
Base-Backbone interact. energy: -1.263
local terms energy: -210.262475
where:
bonds (distance) C4'-P energy: -35.851
bonds (distance) P-C4' energy: -48.146
flat angles C4'-P-C4' energy: -49.653
flat angles P-C4'-P energy: -37.800
tors. eta vs tors. theta energy: -38.812
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: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -680.316485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.316485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.316485 (E_RNA)
where:
Base-Base interactions energy: -463.316
where: short stacking energy: -210.062
Base-Backbone interact. energy: -0.379
local terms energy: -216.621261
where:
bonds (distance) C4'-P energy: -38.792
bonds (distance) P-C4' energy: -43.254
flat angles C4'-P-C4' energy: -46.899
flat angles P-C4'-P energy: -30.891
tors. eta vs tors. theta energy: -56.786
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: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -557.087601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.087601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.087601 (E_RNA)
where:
Base-Base interactions energy: -344.595
where: short stacking energy: -158.311
Base-Backbone interact. energy: -0.722
local terms energy: -211.770762
where:
bonds (distance) C4'-P energy: -45.315
bonds (distance) P-C4' energy: -51.185
flat angles C4'-P-C4' energy: -40.507
flat angles P-C4'-P energy: -35.162
tors. eta vs tors. theta energy: -39.602
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: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -546.518978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.518978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.518978 (E_RNA)
where:
Base-Base interactions energy: -340.585
where: short stacking energy: -148.390
Base-Backbone interact. energy: -0.595
local terms energy: -205.339005
where:
bonds (distance) C4'-P energy: -45.070
bonds (distance) P-C4' energy: -46.163
flat angles C4'-P-C4' energy: -48.760
flat angles P-C4'-P energy: -34.641
tors. eta vs tors. theta energy: -30.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -503.740859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.740859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.740859 (E_RNA)
where:
Base-Base interactions energy: -312.570
where: short stacking energy: -140.261
Base-Backbone interact. energy: -1.591
local terms energy: -189.579465
where:
bonds (distance) C4'-P energy: -41.360
bonds (distance) P-C4' energy: -47.943
flat angles C4'-P-C4' energy: -46.912
flat angles P-C4'-P energy: -21.440
tors. eta vs tors. theta energy: -31.923
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: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -312.847666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.847666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.847666 (E_RNA)
where:
Base-Base interactions energy: -177.265
where: short stacking energy: -85.866
Base-Backbone interact. energy: -0.458
local terms energy: -135.124265
where:
bonds (distance) C4'-P energy: -37.250
bonds (distance) P-C4' energy: -45.156
flat angles C4'-P-C4' energy: -27.431
flat angles P-C4'-P energy: -25.166
tors. eta vs tors. theta energy: -0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -226.734706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.734706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.734706 (E_RNA)
where:
Base-Base interactions energy: -81.200
where: short stacking energy: -63.897
Base-Backbone interact. energy: -0.608
local terms energy: -144.927513
where:
bonds (distance) C4'-P energy: -38.075
bonds (distance) P-C4' energy: -42.001
flat angles C4'-P-C4' energy: -36.752
flat angles P-C4'-P energy: -31.524
tors. eta vs tors. theta energy: 3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -814.897199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.897199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.897199 (E_RNA)
where:
Base-Base interactions energy: -547.347
where: short stacking energy: -266.083
Base-Backbone interact. energy: -1.467
local terms energy: -266.083929
where:
bonds (distance) C4'-P energy: -48.999
bonds (distance) P-C4' energy: -47.463
flat angles C4'-P-C4' energy: -58.240
flat angles P-C4'-P energy: -37.115
tors. eta vs tors. theta energy: -74.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -798.106093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.106093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.106093 (E_RNA)
where:
Base-Base interactions energy: -532.564
where: short stacking energy: -243.704
Base-Backbone interact. energy: -0.193
local terms energy: -265.348751
where:
bonds (distance) C4'-P energy: -40.147
bonds (distance) P-C4' energy: -45.908
flat angles C4'-P-C4' energy: -58.686
flat angles P-C4'-P energy: -38.314
tors. eta vs tors. theta energy: -82.294
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: 84
Temperature: 1.000000
Total energy: -733.699246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.699246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.699246 (E_RNA)
where:
Base-Base interactions energy: -504.993
where: short stacking energy: -215.067
Base-Backbone interact. energy: 0.794
local terms energy: -229.499972
where:
bonds (distance) C4'-P energy: -51.702
bonds (distance) P-C4' energy: -37.901
flat angles C4'-P-C4' energy: -50.754
flat angles P-C4'-P energy: -35.993
tors. eta vs tors. theta energy: -53.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -680.935677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.935677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.935677 (E_RNA)
where:
Base-Base interactions energy: -471.244
where: short stacking energy: -200.548
Base-Backbone interact. energy: -1.106
local terms energy: -208.585441
where:
bonds (distance) C4'-P energy: -40.400
bonds (distance) P-C4' energy: -44.211
flat angles C4'-P-C4' energy: -44.142
flat angles P-C4'-P energy: -35.512
tors. eta vs tors. theta energy: -44.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -676.317144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.317144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.317144 (E_RNA)
where:
Base-Base interactions energy: -442.104
where: short stacking energy: -208.862
Base-Backbone interact. energy: -0.079
local terms energy: -234.133606
where:
bonds (distance) C4'-P energy: -48.298
bonds (distance) P-C4' energy: -41.209
flat angles C4'-P-C4' energy: -51.249
flat angles P-C4'-P energy: -31.844
tors. eta vs tors. theta energy: -61.533
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: 5
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -557.694939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.694939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.694939 (E_RNA)
where:
Base-Base interactions energy: -357.246
where: short stacking energy: -156.317
Base-Backbone interact. energy: -1.251
local terms energy: -199.198171
where:
bonds (distance) C4'-P energy: -33.563
bonds (distance) P-C4' energy: -43.667
flat angles C4'-P-C4' energy: -51.562
flat angles P-C4'-P energy: -37.529
tors. eta vs tors. theta energy: -32.876
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: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -523.247322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.247322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.247322 (E_RNA)
where:
Base-Base interactions energy: -337.445
where: short stacking energy: -159.357
Base-Backbone interact. energy: 0.010
local terms energy: -185.812197
where:
bonds (distance) C4'-P energy: -35.972
bonds (distance) P-C4' energy: -36.061
flat angles C4'-P-C4' energy: -47.159
flat angles P-C4'-P energy: -27.179
tors. eta vs tors. theta energy: -39.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -533.078618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.078618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.078618 (E_RNA)
where:
Base-Base interactions energy: -346.475
where: short stacking energy: -166.207
Base-Backbone interact. energy: -1.823
local terms energy: -184.780093
where:
bonds (distance) C4'-P energy: -42.951
bonds (distance) P-C4' energy: -43.090
flat angles C4'-P-C4' energy: -40.862
flat angles P-C4'-P energy: -21.180
tors. eta vs tors. theta energy: -36.698
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: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -306.137437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.137437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.137437 (E_RNA)
where:
Base-Base interactions energy: -151.901
where: short stacking energy: -91.155
Base-Backbone interact. energy: 3.361
local terms energy: -157.597604
where:
bonds (distance) C4'-P energy: -34.520
bonds (distance) P-C4' energy: -44.153
flat angles C4'-P-C4' energy: -44.486
flat angles P-C4'-P energy: -26.205
tors. eta vs tors. theta energy: -8.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -213.856793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.856793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.856793 (E_RNA)
where:
Base-Base interactions energy: -91.909
where: short stacking energy: -70.888
Base-Backbone interact. energy: -1.045
local terms energy: -120.902622
where:
bonds (distance) C4'-P energy: -44.535
bonds (distance) P-C4' energy: -32.254
flat angles C4'-P-C4' energy: -33.245
flat angles P-C4'-P energy: -27.864
tors. eta vs tors. theta energy: 16.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -830.413209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.413209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.413209 (E_RNA)
where:
Base-Base interactions energy: -563.932
where: short stacking energy: -267.636
Base-Backbone interact. energy: -0.427
local terms energy: -266.054700
where:
bonds (distance) C4'-P energy: -45.901
bonds (distance) P-C4' energy: -48.001
flat angles C4'-P-C4' energy: -57.077
flat angles P-C4'-P energy: -34.707
tors. eta vs tors. theta energy: -80.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -781.145818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.145818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.145818 (E_RNA)
where:
Base-Base interactions energy: -525.762
where: short stacking energy: -249.949
Base-Backbone interact. energy: -1.811
local terms energy: -253.572756
where:
bonds (distance) C4'-P energy: -47.220
bonds (distance) P-C4' energy: -51.870
flat angles C4'-P-C4' energy: -51.808
flat angles P-C4'-P energy: -35.615
tors. eta vs tors. theta energy: -67.059
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: 85
Temperature: 1.000000
Total energy: -761.919575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.919575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.919575 (E_RNA)
where:
Base-Base interactions energy: -519.421
where: short stacking energy: -233.127
Base-Backbone interact. energy: 3.172
local terms energy: -245.670479
where:
bonds (distance) C4'-P energy: -44.145
bonds (distance) P-C4' energy: -53.585
flat angles C4'-P-C4' energy: -52.290
flat angles P-C4'-P energy: -32.709
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: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -700.917900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.917900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.917900 (E_RNA)
where:
Base-Base interactions energy: -470.303
where: short stacking energy: -221.770
Base-Backbone interact. energy: -3.002
local terms energy: -227.612894
where:
bonds (distance) C4'-P energy: -48.172
bonds (distance) P-C4' energy: -40.962
flat angles C4'-P-C4' energy: -43.726
flat angles P-C4'-P energy: -34.170
tors. eta vs tors. theta energy: -60.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -670.333149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.333149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.333149 (E_RNA)
where:
Base-Base interactions energy: -451.836
where: short stacking energy: -184.306
Base-Backbone interact. energy: -0.459
local terms energy: -218.038830
where:
bonds (distance) C4'-P energy: -48.875
bonds (distance) P-C4' energy: -40.819
flat angles C4'-P-C4' energy: -53.330
flat angles P-C4'-P energy: -32.543
tors. eta vs tors. theta energy: -42.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -590.055763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.055763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.055763 (E_RNA)
where:
Base-Base interactions energy: -386.879
where: short stacking energy: -165.217
Base-Backbone interact. energy: -2.641
local terms energy: -200.535923
where:
bonds (distance) C4'-P energy: -44.725
bonds (distance) P-C4' energy: -48.189
flat angles C4'-P-C4' energy: -43.325
flat angles P-C4'-P energy: -32.554
tors. eta vs tors. theta energy: -31.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -512.126387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.126387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.126387 (E_RNA)
where:
Base-Base interactions energy: -325.050
where: short stacking energy: -145.867
Base-Backbone interact. energy: -1.980
local terms energy: -185.096085
where:
bonds (distance) C4'-P energy: -38.013
bonds (distance) P-C4' energy: -45.526
flat angles C4'-P-C4' energy: -41.321
flat angles P-C4'-P energy: -28.943
tors. eta vs tors. theta energy: -31.294
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: 8, replica: 9
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -528.795483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.795483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.795483 (E_RNA)
where:
Base-Base interactions energy: -335.162
where: short stacking energy: -157.312
Base-Backbone interact. energy: 0.811
local terms energy: -194.444494
where:
bonds (distance) C4'-P energy: -44.296
bonds (distance) P-C4' energy: -43.797
flat angles C4'-P-C4' energy: -41.975
flat angles P-C4'-P energy: -26.822
tors. eta vs tors. theta energy: -37.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -287.311819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.311819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.311819 (E_RNA)
where:
Base-Base interactions energy: -158.465
where: short stacking energy: -91.033
Base-Backbone interact. energy: 4.050
local terms energy: -132.896802
where:
bonds (distance) C4'-P energy: -42.410
bonds (distance) P-C4' energy: -47.226
flat angles C4'-P-C4' energy: -21.928
flat angles P-C4'-P energy: -23.554
tors. eta vs tors. theta energy: 2.221
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: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -228.077650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.077650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.077650 (E_RNA)
where:
Base-Base interactions energy: -90.413
where: short stacking energy: -58.705
Base-Backbone interact. energy: -0.714
local terms energy: -136.950897
where:
bonds (distance) C4'-P energy: -47.655
bonds (distance) P-C4' energy: -43.043
flat angles C4'-P-C4' energy: -32.438
flat angles P-C4'-P energy: -24.146
tors. eta vs tors. theta energy: 10.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -825.049392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.049392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.049392 (E_RNA)
where:
Base-Base interactions energy: -561.880
where: short stacking energy: -273.452
Base-Backbone interact. energy: -0.981
local terms energy: -262.188235
where:
bonds (distance) C4'-P energy: -47.378
bonds (distance) P-C4' energy: -43.974
flat angles C4'-P-C4' energy: -59.230
flat angles P-C4'-P energy: -34.142
tors. eta vs tors. theta energy: -77.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -794.287077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.287077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.287077 (E_RNA)
where:
Base-Base interactions energy: -533.531
where: short stacking energy: -244.405
Base-Backbone interact. energy: -1.661
local terms energy: -259.094996
where:
bonds (distance) C4'-P energy: -48.271
bonds (distance) P-C4' energy: -43.490
flat angles C4'-P-C4' energy: -52.792
flat angles P-C4'-P energy: -44.792
tors. eta vs tors. theta energy: -69.750
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: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -735.320612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.320612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.320612 (E_RNA)
where:
Base-Base interactions energy: -501.770
where: short stacking energy: -221.045
Base-Backbone interact. energy: -0.823
local terms energy: -232.728152
where:
bonds (distance) C4'-P energy: -41.376
bonds (distance) P-C4' energy: -52.848
flat angles C4'-P-C4' energy: -49.576
flat angles P-C4'-P energy: -33.549
tors. eta vs tors. theta energy: -55.379
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: 86
Temperature: 1.050000
Total energy: -680.401234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.401234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.401234 (E_RNA)
where:
Base-Base interactions energy: -440.739
where: short stacking energy: -197.920
Base-Backbone interact. energy: -0.272
local terms energy: -239.390586
where:
bonds (distance) C4'-P energy: -38.727
bonds (distance) P-C4' energy: -52.784
flat angles C4'-P-C4' energy: -51.400
flat angles P-C4'-P energy: -39.485
tors. eta vs tors. theta energy: -56.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -664.191295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.191295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.191295 (E_RNA)
where:
Base-Base interactions energy: -454.938
where: short stacking energy: -203.194
Base-Backbone interact. energy: -1.670
local terms energy: -207.582807
where:
bonds (distance) C4'-P energy: -39.636
bonds (distance) P-C4' energy: -39.124
flat angles C4'-P-C4' energy: -50.336
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -55.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -583.451133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.451133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.451133 (E_RNA)
where:
Base-Base interactions energy: -377.896
where: short stacking energy: -167.973
Base-Backbone interact. energy: 1.943
local terms energy: -207.497801
where:
bonds (distance) C4'-P energy: -42.814
bonds (distance) P-C4' energy: -44.984
flat angles C4'-P-C4' energy: -35.343
flat angles P-C4'-P energy: -37.531
tors. eta vs tors. theta energy: -46.825
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: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -549.354991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.354991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.354991 (E_RNA)
where:
Base-Base interactions energy: -365.087
where: short stacking energy: -171.916
Base-Backbone interact. energy: 0.444
local terms energy: -184.711456
where:
bonds (distance) C4'-P energy: -29.782
bonds (distance) P-C4' energy: -48.261
flat angles C4'-P-C4' energy: -38.650
flat angles P-C4'-P energy: -25.747
tors. eta vs tors. theta energy: -42.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -494.261836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.261836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.261836 (E_RNA)
where:
Base-Base interactions energy: -311.490
where: short stacking energy: -138.135
Base-Backbone interact. energy: -1.246
local terms energy: -181.526363
where:
bonds (distance) C4'-P energy: -46.052
bonds (distance) P-C4' energy: -44.376
flat angles C4'-P-C4' energy: -42.923
flat angles P-C4'-P energy: -23.594
tors. eta vs tors. theta energy: -24.580
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: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -322.572812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.572812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.572812 (E_RNA)
where:
Base-Base interactions energy: -151.788
where: short stacking energy: -85.371
Base-Backbone interact. energy: -1.219
local terms energy: -169.565822
where:
bonds (distance) C4'-P energy: -33.611
bonds (distance) P-C4' energy: -41.544
flat angles C4'-P-C4' energy: -46.669
flat angles P-C4'-P energy: -31.709
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: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -233.000697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.000697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.000697 (E_RNA)
where:
Base-Base interactions energy: -88.256
where: short stacking energy: -62.573
Base-Backbone interact. energy: 1.385
local terms energy: -146.129216
where:
bonds (distance) C4'-P energy: -41.369
bonds (distance) P-C4' energy: -40.532
flat angles C4'-P-C4' energy: -41.354
flat angles P-C4'-P energy: -29.257
tors. eta vs tors. theta energy: 6.383
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: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -826.952708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.952708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.952708 (E_RNA)
where:
Base-Base interactions energy: -558.947
where: short stacking energy: -262.991
Base-Backbone interact. energy: -0.163
local terms energy: -267.842785
where:
bonds (distance) C4'-P energy: -47.429
bonds (distance) P-C4' energy: -51.706
flat angles C4'-P-C4' energy: -53.356
flat angles P-C4'-P energy: -40.050
tors. eta vs tors. theta energy: -75.301
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: 2, replica: 6
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -794.093682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.093682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.093682 (E_RNA)
where:
Base-Base interactions energy: -536.242
where: short stacking energy: -245.644
Base-Backbone interact. energy: -0.865
local terms energy: -256.986899
where:
bonds (distance) C4'-P energy: -39.635
bonds (distance) P-C4' energy: -52.318
flat angles C4'-P-C4' energy: -51.668
flat angles P-C4'-P energy: -35.776
tors. eta vs tors. theta energy: -77.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -770.274339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.274339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.274339 (E_RNA)
where:
Base-Base interactions energy: -531.572
where: short stacking energy: -231.945
Base-Backbone interact. energy: -0.676
local terms energy: -238.026937
where:
bonds (distance) C4'-P energy: -47.517
bonds (distance) P-C4' energy: -47.562
flat angles C4'-P-C4' energy: -56.181
flat angles P-C4'-P energy: -28.063
tors. eta vs tors. theta energy: -58.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -728.926890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.926890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.926890 (E_RNA)
where:
Base-Base interactions energy: -465.370
where: short stacking energy: -225.572
Base-Backbone interact. energy: -1.914
local terms energy: -261.643174
where:
bonds (distance) C4'-P energy: -50.505
bonds (distance) P-C4' energy: -51.751
flat angles C4'-P-C4' energy: -50.426
flat angles P-C4'-P energy: -38.847
tors. eta vs tors. theta energy: -70.114
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: 4
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -664.620068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.620068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.620068 (E_RNA)
where:
Base-Base interactions energy: -456.747
where: short stacking energy: -170.356
Base-Backbone interact. energy: -1.919
local terms energy: -205.954081
where:
bonds (distance) C4'-P energy: -48.092
bonds (distance) P-C4' energy: -34.716
flat angles C4'-P-C4' energy: -45.549
flat angles P-C4'-P energy: -33.089
tors. eta vs tors. theta energy: -44.507
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: 9
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -587.708555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.708555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.708555 (E_RNA)
where:
Base-Base interactions energy: -381.993
where: short stacking energy: -194.953
Base-Backbone interact. energy: -0.357
local terms energy: -205.358708
where:
bonds (distance) C4'-P energy: -25.120
bonds (distance) P-C4' energy: -45.158
flat angles C4'-P-C4' energy: -48.277
flat angles P-C4'-P energy: -30.249
tors. eta vs tors. theta energy: -56.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -536.781288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.781288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.781288 (E_RNA)
where:
Base-Base interactions energy: -354.002
where: short stacking energy: -168.772
Base-Backbone interact. energy: 0.516
local terms energy: -183.295115
where:
bonds (distance) C4'-P energy: -29.705
bonds (distance) P-C4' energy: -44.615
flat angles C4'-P-C4' energy: -43.701
flat angles P-C4'-P energy: -31.513
tors. eta vs tors. theta energy: -33.761
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: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -471.841086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.841086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.841086 (E_RNA)
where:
Base-Base interactions energy: -297.666
where: short stacking energy: -148.989
Base-Backbone interact. energy: -0.230
local terms energy: -173.945679
where:
bonds (distance) C4'-P energy: -48.305
bonds (distance) P-C4' energy: -38.748
flat angles C4'-P-C4' energy: -39.078
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -24.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -334.533506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.533506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.533506 (E_RNA)
where:
Base-Base interactions energy: -176.815
where: short stacking energy: -114.104
Base-Backbone interact. energy: -0.805
local terms energy: -156.914018
where:
bonds (distance) C4'-P energy: -30.187
bonds (distance) P-C4' energy: -32.803
flat angles C4'-P-C4' energy: -46.664
flat angles P-C4'-P energy: -22.947
tors. eta vs tors. theta energy: -24.313
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: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -218.291983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.291983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.291983 (E_RNA)
where:
Base-Base interactions energy: -71.548
where: short stacking energy: -66.837
Base-Backbone interact. energy: -0.742
local terms energy: -146.002498
where:
bonds (distance) C4'-P energy: -36.160
bonds (distance) P-C4' energy: -41.395
flat angles C4'-P-C4' energy: -42.024
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -817.634417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.634417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.634417 (E_RNA)
where:
Base-Base interactions energy: -542.500
where: short stacking energy: -256.250
Base-Backbone interact. energy: -0.561
local terms energy: -274.573470
where:
bonds (distance) C4'-P energy: -50.853
bonds (distance) P-C4' energy: -48.813
flat angles C4'-P-C4' energy: -55.107
flat angles P-C4'-P energy: -39.327
tors. eta vs tors. theta energy: -80.474
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: 6
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -804.041762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.041762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.041762 (E_RNA)
where:
Base-Base interactions energy: -549.871
where: short stacking energy: -248.211
Base-Backbone interact. energy: 0.258
local terms energy: -254.428296
where:
bonds (distance) C4'-P energy: -48.168
bonds (distance) P-C4' energy: -42.701
flat angles C4'-P-C4' energy: -52.809
flat angles P-C4'-P energy: -39.872
tors. eta vs tors. theta energy: -70.879
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: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -734.562087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.562087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.562087 (E_RNA)
where:
Base-Base interactions energy: -509.811
where: short stacking energy: -208.321
Base-Backbone interact. energy: -3.811
local terms energy: -220.940250
where:
bonds (distance) C4'-P energy: -41.142
bonds (distance) P-C4' energy: -55.108
flat angles C4'-P-C4' energy: -47.807
flat angles P-C4'-P energy: -29.194
tors. eta vs tors. theta energy: -47.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -703.347597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.347597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.347597 (E_RNA)
where:
Base-Base interactions energy: -471.840
where: short stacking energy: -217.385
Base-Backbone interact. energy: 0.273
local terms energy: -231.780577
where:
bonds (distance) C4'-P energy: -49.482
bonds (distance) P-C4' energy: -45.074
flat angles C4'-P-C4' energy: -38.354
flat angles P-C4'-P energy: -39.056
tors. eta vs tors. theta energy: -59.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -678.939245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.939245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.939245 (E_RNA)
where:
Base-Base interactions energy: -462.917
where: short stacking energy: -182.533
Base-Backbone interact. energy: -0.807
local terms energy: -215.215355
where:
bonds (distance) C4'-P energy: -55.838
bonds (distance) P-C4' energy: -42.258
flat angles C4'-P-C4' energy: -53.623
flat angles P-C4'-P energy: -22.484
tors. eta vs tors. theta energy: -41.012
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: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -567.519727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.519727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.519727 (E_RNA)
where:
Base-Base interactions energy: -351.654
where: short stacking energy: -171.694
Base-Backbone interact. energy: -0.822
local terms energy: -215.043706
where:
bonds (distance) C4'-P energy: -41.629
bonds (distance) P-C4' energy: -48.838
flat angles C4'-P-C4' energy: -42.982
flat angles P-C4'-P energy: -33.397
tors. eta vs tors. theta energy: -48.198
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: 7, replica: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -517.076298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.076298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.076298 (E_RNA)
where:
Base-Base interactions energy: -330.054
where: short stacking energy: -144.157
Base-Backbone interact. energy: -0.487
local terms energy: -186.534592
where:
bonds (distance) C4'-P energy: -44.633
bonds (distance) P-C4' energy: -46.888
flat angles C4'-P-C4' energy: -45.777
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -33.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -474.132472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.132472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.132472 (E_RNA)
where:
Base-Base interactions energy: -292.753
where: short stacking energy: -134.972
Base-Backbone interact. energy: 0.336
local terms energy: -181.714500
where:
bonds (distance) C4'-P energy: -46.596
bonds (distance) P-C4' energy: -44.016
flat angles C4'-P-C4' energy: -37.424
flat angles P-C4'-P energy: -25.842
tors. eta vs tors. theta energy: -27.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -308.669557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.669557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.669557 (E_RNA)
where:
Base-Base interactions energy: -158.834
where: short stacking energy: -97.409
Base-Backbone interact. energy: -0.390
local terms energy: -149.445912
where:
bonds (distance) C4'-P energy: -44.461
bonds (distance) P-C4' energy: -50.273
flat angles C4'-P-C4' energy: -24.542
flat angles P-C4'-P energy: -21.039
tors. eta vs tors. theta energy: -9.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -294.907403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.907403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.907403 (E_RNA)
where:
Base-Base interactions energy: -147.646
where: short stacking energy: -89.337
Base-Backbone interact. energy: 1.924
local terms energy: -149.185259
where:
bonds (distance) C4'-P energy: -46.811
bonds (distance) P-C4' energy: -40.380
flat angles C4'-P-C4' energy: -36.025
flat angles P-C4'-P energy: -20.410
tors. eta vs tors. theta energy: -5.559
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: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -831.232072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.232072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.232072 (E_RNA)
where:
Base-Base interactions energy: -559.375
where: short stacking energy: -271.105
Base-Backbone interact. energy: -0.602
local terms energy: -271.254731
where:
bonds (distance) C4'-P energy: -47.595
bonds (distance) P-C4' energy: -52.478
flat angles C4'-P-C4' energy: -50.971
flat angles P-C4'-P energy: -41.430
tors. eta vs tors. theta energy: -78.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -776.177236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.177236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.177236 (E_RNA)
where:
Base-Base interactions energy: -529.949
where: short stacking energy: -235.559
Base-Backbone interact. energy: -1.786
local terms energy: -244.443133
where:
bonds (distance) C4'-P energy: -47.102
bonds (distance) P-C4' energy: -43.525
flat angles C4'-P-C4' energy: -49.237
flat angles P-C4'-P energy: -39.837
tors. eta vs tors. theta energy: -64.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -720.852361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.852361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.852361 (E_RNA)
where:
Base-Base interactions energy: -489.744
where: short stacking energy: -205.830
Base-Backbone interact. energy: -1.256
local terms energy: -229.852327
where:
bonds (distance) C4'-P energy: -40.924
bonds (distance) P-C4' energy: -51.227
flat angles C4'-P-C4' energy: -48.287
flat angles P-C4'-P energy: -37.378
tors. eta vs tors. theta energy: -52.036
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: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -705.752028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.752028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.752028 (E_RNA)
where:
Base-Base interactions energy: -480.417
where: short stacking energy: -189.960
Base-Backbone interact. energy: 0.411
local terms energy: -225.746199
where:
bonds (distance) C4'-P energy: -54.656
bonds (distance) P-C4' energy: -41.203
flat angles C4'-P-C4' energy: -47.879
flat angles P-C4'-P energy: -35.073
tors. eta vs tors. theta energy: -46.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -698.606809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.606809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.606809 (E_RNA)
where:
Base-Base interactions energy: -464.207
where: short stacking energy: -212.277
Base-Backbone interact. energy: -2.421
local terms energy: -231.978883
where:
bonds (distance) C4'-P energy: -45.457
bonds (distance) P-C4' energy: -48.455
flat angles C4'-P-C4' energy: -48.463
flat angles P-C4'-P energy: -35.061
tors. eta vs tors. theta energy: -54.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -557.294964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.294964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.294964 (E_RNA)
where:
Base-Base interactions energy: -358.724
where: short stacking energy: -166.355
Base-Backbone interact. energy: -2.510
local terms energy: -196.061348
where:
bonds (distance) C4'-P energy: -51.488
bonds (distance) P-C4' energy: -34.403
flat angles C4'-P-C4' energy: -49.141
flat angles P-C4'-P energy: -29.012
tors. eta vs tors. theta energy: -32.017
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: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -533.333739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.333739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.333739 (E_RNA)
where:
Base-Base interactions energy: -366.891
where: short stacking energy: -153.841
Base-Backbone interact. energy: -1.493
local terms energy: -164.949170
where:
bonds (distance) C4'-P energy: -36.603
bonds (distance) P-C4' energy: -42.208
flat angles C4'-P-C4' energy: -44.540
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -33.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -469.125882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.125882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.125882 (E_RNA)
where:
Base-Base interactions energy: -308.471
where: short stacking energy: -160.746
Base-Backbone interact. energy: -1.003
local terms energy: -159.651361
where:
bonds (distance) C4'-P energy: -25.132
bonds (distance) P-C4' energy: -41.470
flat angles C4'-P-C4' energy: -48.495
flat angles P-C4'-P energy: -15.031
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: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -310.134790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.134790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.134790 (E_RNA)
where:
Base-Base interactions energy: -161.107
where: short stacking energy: -87.965
Base-Backbone interact. energy: -0.942
local terms energy: -148.085854
where:
bonds (distance) C4'-P energy: -46.224
bonds (distance) P-C4' energy: -44.187
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -30.593
tors. eta vs tors. theta energy: -6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -299.393070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.393070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.393070 (E_RNA)
where:
Base-Base interactions energy: -150.228
where: short stacking energy: -84.095
Base-Backbone interact. energy: -0.940
local terms energy: -148.224862
where:
bonds (distance) C4'-P energy: -40.011
bonds (distance) P-C4' energy: -37.764
flat angles C4'-P-C4' energy: -41.186
flat angles P-C4'-P energy: -20.244
tors. eta vs tors. theta energy: -9.020
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: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -821.600773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.600773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.600773 (E_RNA)
where:
Base-Base interactions energy: -554.014
where: short stacking energy: -241.578
Base-Backbone interact. energy: -1.284
local terms energy: -266.303371
where:
bonds (distance) C4'-P energy: -49.703
bonds (distance) P-C4' energy: -51.050
flat angles C4'-P-C4' energy: -56.179
flat angles P-C4'-P energy: -35.528
tors. eta vs tors. theta energy: -73.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -783.293233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.293233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.293233 (E_RNA)
where:
Base-Base interactions energy: -539.987
where: short stacking energy: -245.999
Base-Backbone interact. energy: -1.307
local terms energy: -241.999461
where:
bonds (distance) C4'-P energy: -44.851
bonds (distance) P-C4' energy: -48.255
flat angles C4'-P-C4' energy: -51.140
flat angles P-C4'-P energy: -30.507
tors. eta vs tors. theta energy: -67.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -748.883244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.883244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.883244 (E_RNA)
where:
Base-Base interactions energy: -507.656
where: short stacking energy: -223.113
Base-Backbone interact. energy: -1.060
local terms energy: -240.167454
where:
bonds (distance) C4'-P energy: -42.778
bonds (distance) P-C4' energy: -49.343
flat angles C4'-P-C4' energy: -54.481
flat angles P-C4'-P energy: -36.394
tors. eta vs tors. theta energy: -57.173
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: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -709.338347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.338347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.338347 (E_RNA)
where:
Base-Base interactions energy: -484.168
where: short stacking energy: -197.046
Base-Backbone interact. energy: -0.435
local terms energy: -224.735454
where:
bonds (distance) C4'-P energy: -47.141
bonds (distance) P-C4' energy: -48.743
flat angles C4'-P-C4' energy: -45.847
flat angles P-C4'-P energy: -32.120
tors. eta vs tors. theta energy: -50.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -688.185613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.185613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.185613 (E_RNA)
where:
Base-Base interactions energy: -452.362
where: short stacking energy: -210.381
Base-Backbone interact. energy: -0.716
local terms energy: -235.107073
where:
bonds (distance) C4'-P energy: -40.355
bonds (distance) P-C4' energy: -47.677
flat angles C4'-P-C4' energy: -47.573
flat angles P-C4'-P energy: -43.062
tors. eta vs tors. theta energy: -56.440
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: 6, replica: 9
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -584.851193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.851193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.851193 (E_RNA)
where:
Base-Base interactions energy: -367.621
where: short stacking energy: -172.441
Base-Backbone interact. energy: -0.420
local terms energy: -216.810020
where:
bonds (distance) C4'-P energy: -48.067
bonds (distance) P-C4' energy: -53.516
flat angles C4'-P-C4' energy: -40.882
flat angles P-C4'-P energy: -32.670
tors. eta vs tors. theta energy: -41.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -535.194122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.194122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.194122 (E_RNA)
where:
Base-Base interactions energy: -333.224
where: short stacking energy: -144.245
Base-Backbone interact. energy: -1.232
local terms energy: -200.737507
where:
bonds (distance) C4'-P energy: -45.344
bonds (distance) P-C4' energy: -47.494
flat angles C4'-P-C4' energy: -49.704
flat angles P-C4'-P energy: -22.248
tors. eta vs tors. theta energy: -35.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -468.108802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.108802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.108802 (E_RNA)
where:
Base-Base interactions energy: -289.028
where: short stacking energy: -152.192
Base-Backbone interact. energy: -1.790
local terms energy: -177.290784
where:
bonds (distance) C4'-P energy: -35.042
bonds (distance) P-C4' energy: -43.269
flat angles C4'-P-C4' energy: -40.462
flat angles P-C4'-P energy: -24.896
tors. eta vs tors. theta energy: -33.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -324.482994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.482994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.482994 (E_RNA)
where:
Base-Base interactions energy: -168.800
where: short stacking energy: -105.002
Base-Backbone interact. energy: 0.975
local terms energy: -156.657975
where:
bonds (distance) C4'-P energy: -38.706
bonds (distance) P-C4' energy: -41.566
flat angles C4'-P-C4' energy: -33.759
flat angles P-C4'-P energy: -25.727
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -322.287966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.287966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.287966 (E_RNA)
where:
Base-Base interactions energy: -159.227
where: short stacking energy: -91.482
Base-Backbone interact. energy: 0.056
local terms energy: -163.116918
where:
bonds (distance) C4'-P energy: -41.659
bonds (distance) P-C4' energy: -48.719
flat angles C4'-P-C4' energy: -33.876
flat angles P-C4'-P energy: -26.582
tors. eta vs tors. theta energy: -12.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -827.058233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.058233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.058233 (E_RNA)
where:
Base-Base interactions energy: -556.756
where: short stacking energy: -287.487
Base-Backbone interact. energy: -1.436
local terms energy: -268.866523
where:
bonds (distance) C4'-P energy: -49.547
bonds (distance) P-C4' energy: -48.117
flat angles C4'-P-C4' energy: -55.682
flat angles P-C4'-P energy: -33.290
tors. eta vs tors. theta energy: -82.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -793.798562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.798562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.798562 (E_RNA)
where:
Base-Base interactions energy: -526.337
where: short stacking energy: -260.934
Base-Backbone interact. energy: -0.305
local terms energy: -267.157251
where:
bonds (distance) C4'-P energy: -45.462
bonds (distance) P-C4' energy: -51.748
flat angles C4'-P-C4' energy: -57.669
flat angles P-C4'-P energy: -39.021
tors. eta vs tors. theta energy: -73.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -739.273128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.273128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.273128 (E_RNA)
where:
Base-Base interactions energy: -511.526
where: short stacking energy: -233.164
Base-Backbone interact. energy: 0.621
local terms energy: -228.367962
where:
bonds (distance) C4'-P energy: -37.229
bonds (distance) P-C4' energy: -47.497
flat angles C4'-P-C4' energy: -48.974
flat angles P-C4'-P energy: -32.724
tors. eta vs tors. theta energy: -61.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -690.349130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.349130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.349130 (E_RNA)
where:
Base-Base interactions energy: -467.450
where: short stacking energy: -191.628
Base-Backbone interact. energy: -1.550
local terms energy: -221.349308
where:
bonds (distance) C4'-P energy: -46.272
bonds (distance) P-C4' energy: -50.294
flat angles C4'-P-C4' energy: -41.308
flat angles P-C4'-P energy: -28.466
tors. eta vs tors. theta energy: -55.009
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: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -674.700718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.700718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.700718 (E_RNA)
where:
Base-Base interactions energy: -449.667
where: short stacking energy: -199.099
Base-Backbone interact. energy: -0.816
local terms energy: -224.217729
where:
bonds (distance) C4'-P energy: -42.636
bonds (distance) P-C4' energy: -44.739
flat angles C4'-P-C4' energy: -47.503
flat angles P-C4'-P energy: -37.262
tors. eta vs tors. theta energy: -52.078
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: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -556.284414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.284414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.284414 (E_RNA)
where:
Base-Base interactions energy: -360.465
where: short stacking energy: -160.623
Base-Backbone interact. energy: 2.741
local terms energy: -198.560840
where:
bonds (distance) C4'-P energy: -42.499
bonds (distance) P-C4' energy: -43.053
flat angles C4'-P-C4' energy: -50.747
flat angles P-C4'-P energy: -22.276
tors. eta vs tors. theta energy: -39.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -520.697927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.697927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.697927 (E_RNA)
where:
Base-Base interactions energy: -328.932
where: short stacking energy: -162.474
Base-Backbone interact. energy: 1.865
local terms energy: -193.631327
where:
bonds (distance) C4'-P energy: -36.913
bonds (distance) P-C4' energy: -45.037
flat angles C4'-P-C4' energy: -36.598
flat angles P-C4'-P energy: -31.947
tors. eta vs tors. theta energy: -43.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -457.455453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.455453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.455453 (E_RNA)
where:
Base-Base interactions energy: -276.710
where: short stacking energy: -132.168
Base-Backbone interact. energy: -0.963
local terms energy: -179.783031
where:
bonds (distance) C4'-P energy: -49.645
bonds (distance) P-C4' energy: -34.781
flat angles C4'-P-C4' energy: -36.723
flat angles P-C4'-P energy: -28.028
tors. eta vs tors. theta energy: -30.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -314.492063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.492063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.492063 (E_RNA)
where:
Base-Base interactions energy: -161.301
where: short stacking energy: -112.344
Base-Backbone interact. energy: -0.380
local terms energy: -152.811539
where:
bonds (distance) C4'-P energy: -34.326
bonds (distance) P-C4' energy: -42.407
flat angles C4'-P-C4' energy: -41.546
flat angles P-C4'-P energy: -17.394
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -305.652999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.652999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.652999 (E_RNA)
where:
Base-Base interactions energy: -161.383
where: short stacking energy: -96.220
Base-Backbone interact. energy: 0.455
local terms energy: -144.725123
where:
bonds (distance) C4'-P energy: -47.745
bonds (distance) P-C4' energy: -34.776
flat angles C4'-P-C4' energy: -38.635
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -814.909080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.909080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.909080 (E_RNA)
where:
Base-Base interactions energy: -553.597
where: short stacking energy: -263.815
Base-Backbone interact. energy: -1.329
local terms energy: -259.982911
where:
bonds (distance) C4'-P energy: -46.749
bonds (distance) P-C4' energy: -52.755
flat angles C4'-P-C4' energy: -45.496
flat angles P-C4'-P energy: -36.248
tors. eta vs tors. theta energy: -78.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -795.036388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.036388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.036388 (E_RNA)
where:
Base-Base interactions energy: -540.623
where: short stacking energy: -250.582
Base-Backbone interact. energy: 3.455
local terms energy: -257.868128
where:
bonds (distance) C4'-P energy: -46.232
bonds (distance) P-C4' energy: -51.792
flat angles C4'-P-C4' energy: -52.997
flat angles P-C4'-P energy: -35.387
tors. eta vs tors. theta energy: -71.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -736.277881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.277881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.277881 (E_RNA)
where:
Base-Base interactions energy: -500.529
where: short stacking energy: -223.559
Base-Backbone interact. energy: -1.364
local terms energy: -234.385666
where:
bonds (distance) C4'-P energy: -40.459
bonds (distance) P-C4' energy: -48.197
flat angles C4'-P-C4' energy: -53.925
flat angles P-C4'-P energy: -37.882
tors. eta vs tors. theta energy: -53.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -699.445150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.445150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.445150 (E_RNA)
where:
Base-Base interactions energy: -468.964
where: short stacking energy: -203.355
Base-Backbone interact. energy: -1.454
local terms energy: -229.026832
where:
bonds (distance) C4'-P energy: -54.009
bonds (distance) P-C4' energy: -46.961
flat angles C4'-P-C4' energy: -48.950
flat angles P-C4'-P energy: -26.494
tors. eta vs tors. theta energy: -52.613
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: 5, replica: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -667.860183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.860183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.860183 (E_RNA)
where:
Base-Base interactions energy: -463.203
where: short stacking energy: -208.535
Base-Backbone interact. energy: 2.418
local terms energy: -207.074926
where:
bonds (distance) C4'-P energy: -36.727
bonds (distance) P-C4' energy: -41.810
flat angles C4'-P-C4' energy: -48.616
flat angles P-C4'-P energy: -27.334
tors. eta vs tors. theta energy: -52.588
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: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -561.213759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.213759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.213759 (E_RNA)
where:
Base-Base interactions energy: -367.747
where: short stacking energy: -175.507
Base-Backbone interact. energy: 0.052
local terms energy: -193.519294
where:
bonds (distance) C4'-P energy: -32.328
bonds (distance) P-C4' energy: -45.400
flat angles C4'-P-C4' energy: -46.568
flat angles P-C4'-P energy: -27.817
tors. eta vs tors. theta energy: -41.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -452.447122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.447122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.447122 (E_RNA)
where:
Base-Base interactions energy: -265.495
where: short stacking energy: -125.694
Base-Backbone interact. energy: -0.641
local terms energy: -186.310886
where:
bonds (distance) C4'-P energy: -41.985
bonds (distance) P-C4' energy: -48.414
flat angles C4'-P-C4' energy: -40.506
flat angles P-C4'-P energy: -29.652
tors. eta vs tors. theta energy: -25.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -435.445315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.445315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.445315 (E_RNA)
where:
Base-Base interactions energy: -251.374
where: short stacking energy: -121.111
Base-Backbone interact. energy: 1.188
local terms energy: -185.259768
where:
bonds (distance) C4'-P energy: -45.003
bonds (distance) P-C4' energy: -48.274
flat angles C4'-P-C4' energy: -49.500
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -25.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -291.728770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.728770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.728770 (E_RNA)
where:
Base-Base interactions energy: -137.818
where: short stacking energy: -87.230
Base-Backbone interact. energy: 2.832
local terms energy: -156.743223
where:
bonds (distance) C4'-P energy: -31.715
bonds (distance) P-C4' energy: -47.423
flat angles C4'-P-C4' energy: -43.597
flat angles P-C4'-P energy: -30.006
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -281.272251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.272251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.272251 (E_RNA)
where:
Base-Base interactions energy: -139.898
where: short stacking energy: -81.225
Base-Backbone interact. energy: -1.926
local terms energy: -139.448322
where:
bonds (distance) C4'-P energy: -43.514
bonds (distance) P-C4' energy: -34.343
flat angles C4'-P-C4' energy: -36.163
flat angles P-C4'-P energy: -26.957
tors. eta vs tors. theta energy: 1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -833.787091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.787091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.787091 (E_RNA)
where:
Base-Base interactions energy: -571.249
where: short stacking energy: -268.808
Base-Backbone interact. energy: -1.486
local terms energy: -261.052269
where:
bonds (distance) C4'-P energy: -50.072
bonds (distance) P-C4' energy: -47.136
flat angles C4'-P-C4' energy: -48.445
flat angles P-C4'-P energy: -41.275
tors. eta vs tors. theta energy: -74.126
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: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -787.755438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.755438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.755438 (E_RNA)
where:
Base-Base interactions energy: -532.790
where: short stacking energy: -246.953
Base-Backbone interact. energy: 0.004
local terms energy: -254.969854
where:
bonds (distance) C4'-P energy: -47.852
bonds (distance) P-C4' energy: -45.186
flat angles C4'-P-C4' energy: -53.245
flat angles P-C4'-P energy: -39.138
tors. eta vs tors. theta energy: -69.548
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: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -750.280980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.280980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.280980 (E_RNA)
where:
Base-Base interactions energy: -510.309
where: short stacking energy: -219.533
Base-Backbone interact. energy: -0.145
local terms energy: -239.826670
where:
bonds (distance) C4'-P energy: -50.196
bonds (distance) P-C4' energy: -48.362
flat angles C4'-P-C4' energy: -53.551
flat angles P-C4'-P energy: -32.291
tors. eta vs tors. theta energy: -55.427
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: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -684.357080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.357080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.357080 (E_RNA)
where:
Base-Base interactions energy: -458.261
where: short stacking energy: -208.817
Base-Backbone interact. energy: -3.511
local terms energy: -222.585971
where:
bonds (distance) C4'-P energy: -35.864
bonds (distance) P-C4' energy: -49.955
flat angles C4'-P-C4' energy: -50.981
flat angles P-C4'-P energy: -34.418
tors. eta vs tors. theta energy: -51.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -668.647489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.647489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.647489 (E_RNA)
where:
Base-Base interactions energy: -437.277
where: short stacking energy: -193.619
Base-Backbone interact. energy: -0.007
local terms energy: -231.362962
where:
bonds (distance) C4'-P energy: -45.359
bonds (distance) P-C4' energy: -50.990
flat angles C4'-P-C4' energy: -54.508
flat angles P-C4'-P energy: -35.155
tors. eta vs tors. theta energy: -45.352
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: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -587.178156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.178156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.178156 (E_RNA)
where:
Base-Base interactions energy: -381.293
where: short stacking energy: -169.197
Base-Backbone interact. energy: -3.810
local terms energy: -202.075770
where:
bonds (distance) C4'-P energy: -35.522
bonds (distance) P-C4' energy: -41.119
flat angles C4'-P-C4' energy: -46.219
flat angles P-C4'-P energy: -31.595
tors. eta vs tors. theta energy: -47.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -420.804575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.804575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.804575 (E_RNA)
where:
Base-Base interactions energy: -239.946
where: short stacking energy: -141.460
Base-Backbone interact. energy: 1.351
local terms energy: -182.209447
where:
bonds (distance) C4'-P energy: -44.711
bonds (distance) P-C4' energy: -38.215
flat angles C4'-P-C4' energy: -39.092
flat angles P-C4'-P energy: -25.484
tors. eta vs tors. theta energy: -34.707
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: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -427.570481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.570481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.570481 (E_RNA)
where:
Base-Base interactions energy: -264.136
where: short stacking energy: -115.716
Base-Backbone interact. energy: 0.558
local terms energy: -163.992178
where:
bonds (distance) C4'-P energy: -41.443
bonds (distance) P-C4' energy: -39.937
flat angles C4'-P-C4' energy: -41.548
flat angles P-C4'-P energy: -28.563
tors. eta vs tors. theta energy: -12.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -271.763165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.763165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.763165 (E_RNA)
where:
Base-Base interactions energy: -115.745
where: short stacking energy: -89.472
Base-Backbone interact. energy: 1.476
local terms energy: -157.493668
where:
bonds (distance) C4'-P energy: -37.133
bonds (distance) P-C4' energy: -44.630
flat angles C4'-P-C4' energy: -40.039
flat angles P-C4'-P energy: -27.313
tors. eta vs tors. theta energy: -8.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -283.602465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.602465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.602465 (E_RNA)
where:
Base-Base interactions energy: -136.822
where: short stacking energy: -66.407
Base-Backbone interact. energy: 0.200
local terms energy: -146.980261
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -47.740
flat angles C4'-P-C4' energy: -50.583
flat angles P-C4'-P energy: -24.654
tors. eta vs tors. theta energy: 1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -835.699126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.699126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.699126 (E_RNA)
where:
Base-Base interactions energy: -563.690
where: short stacking energy: -259.237
Base-Backbone interact. energy: -1.383
local terms energy: -270.626132
where:
bonds (distance) C4'-P energy: -55.840
bonds (distance) P-C4' energy: -46.393
flat angles C4'-P-C4' energy: -62.162
flat angles P-C4'-P energy: -32.268
tors. eta vs tors. theta energy: -73.963
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: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -790.382093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.382093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.382093 (E_RNA)
where:
Base-Base interactions energy: -532.438
where: short stacking energy: -247.819
Base-Backbone interact. energy: -1.138
local terms energy: -256.805521
where:
bonds (distance) C4'-P energy: -46.078
bonds (distance) P-C4' energy: -48.244
flat angles C4'-P-C4' energy: -59.965
flat angles P-C4'-P energy: -32.861
tors. eta vs tors. theta energy: -69.658
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: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -758.487253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.487253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.487253 (E_RNA)
where:
Base-Base interactions energy: -528.644
where: short stacking energy: -236.270
Base-Backbone interact. energy: 3.734
local terms energy: -233.577335
where:
bonds (distance) C4'-P energy: -44.336
bonds (distance) P-C4' energy: -42.700
flat angles C4'-P-C4' energy: -53.285
flat angles P-C4'-P energy: -36.113
tors. eta vs tors. theta energy: -57.144
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: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -686.656173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.656173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.656173 (E_RNA)
where:
Base-Base interactions energy: -468.683
where: short stacking energy: -193.089
Base-Backbone interact. energy: -0.919
local terms energy: -217.054360
where:
bonds (distance) C4'-P energy: -39.181
bonds (distance) P-C4' energy: -45.672
flat angles C4'-P-C4' energy: -49.771
flat angles P-C4'-P energy: -30.990
tors. eta vs tors. theta energy: -51.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -681.640291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.640291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.640291 (E_RNA)
where:
Base-Base interactions energy: -452.872
where: short stacking energy: -206.739
Base-Backbone interact. energy: -0.558
local terms energy: -228.210593
where:
bonds (distance) C4'-P energy: -44.886
bonds (distance) P-C4' energy: -44.690
flat angles C4'-P-C4' energy: -47.781
flat angles P-C4'-P energy: -34.127
tors. eta vs tors. theta energy: -56.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -568.008280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.008280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.008280 (E_RNA)
where:
Base-Base interactions energy: -352.744
where: short stacking energy: -145.893
Base-Backbone interact. energy: -0.680
local terms energy: -214.583362
where:
bonds (distance) C4'-P energy: -54.373
bonds (distance) P-C4' energy: -45.805
flat angles C4'-P-C4' energy: -43.551
flat angles P-C4'-P energy: -32.285
tors. eta vs tors. theta energy: -38.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -488.710459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.710459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.710459 (E_RNA)
where:
Base-Base interactions energy: -308.844
where: short stacking energy: -146.913
Base-Backbone interact. energy: -1.340
local terms energy: -178.527004
where:
bonds (distance) C4'-P energy: -35.140
bonds (distance) P-C4' energy: -43.609
flat angles C4'-P-C4' energy: -44.204
flat angles P-C4'-P energy: -27.952
tors. eta vs tors. theta energy: -27.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -400.429568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.429568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.429568 (E_RNA)
where:
Base-Base interactions energy: -229.656
where: short stacking energy: -128.498
Base-Backbone interact. energy: 0.318
local terms energy: -171.091961
where:
bonds (distance) C4'-P energy: -42.183
bonds (distance) P-C4' energy: -37.868
flat angles C4'-P-C4' energy: -38.850
flat angles P-C4'-P energy: -30.317
tors. eta vs tors. theta energy: -21.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -349.307568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.307568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.307568 (E_RNA)
where:
Base-Base interactions energy: -192.158
where: short stacking energy: -112.153
Base-Backbone interact. energy: -1.008
local terms energy: -156.141778
where:
bonds (distance) C4'-P energy: -35.456
bonds (distance) P-C4' energy: -42.190
flat angles C4'-P-C4' energy: -39.517
flat angles P-C4'-P energy: -24.067
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -213.684714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.684714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.684714 (E_RNA)
where:
Base-Base interactions energy: -90.515
where: short stacking energy: -55.786
Base-Backbone interact. energy: -1.426
local terms energy: -121.742771
where:
bonds (distance) C4'-P energy: -35.838
bonds (distance) P-C4' energy: -38.162
flat angles C4'-P-C4' energy: -40.544
flat angles P-C4'-P energy: -19.807
tors. eta vs tors. theta energy: 12.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -816.530215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.530215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.530215 (E_RNA)
where:
Base-Base interactions energy: -550.884
where: short stacking energy: -252.965
Base-Backbone interact. energy: -0.915
local terms energy: -264.731254
where:
bonds (distance) C4'-P energy: -50.144
bonds (distance) P-C4' energy: -48.902
flat angles C4'-P-C4' energy: -52.843
flat angles P-C4'-P energy: -41.240
tors. eta vs tors. theta energy: -71.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -802.507524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.507524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.507524 (E_RNA)
where:
Base-Base interactions energy: -542.027
where: short stacking energy: -251.530
Base-Backbone interact. energy: -0.704
local terms energy: -259.776269
where:
bonds (distance) C4'-P energy: -42.479
bonds (distance) P-C4' energy: -51.406
flat angles C4'-P-C4' energy: -49.337
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: -74.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -735.975235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.975235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.975235 (E_RNA)
where:
Base-Base interactions energy: -498.556
where: short stacking energy: -204.889
Base-Backbone interact. energy: -1.021
local terms energy: -236.398254
where:
bonds (distance) C4'-P energy: -53.102
bonds (distance) P-C4' energy: -46.497
flat angles C4'-P-C4' energy: -52.625
flat angles P-C4'-P energy: -36.967
tors. eta vs tors. theta energy: -47.208
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: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -740.745840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.745840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.745840 (E_RNA)
where:
Base-Base interactions energy: -513.174
where: short stacking energy: -226.325
Base-Backbone interact. energy: 0.327
local terms energy: -227.899376
where:
bonds (distance) C4'-P energy: -44.716
bonds (distance) P-C4' energy: -48.139
flat angles C4'-P-C4' energy: -52.842
flat angles P-C4'-P energy: -22.270
tors. eta vs tors. theta energy: -59.932
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: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -649.638421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.638421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.638421 (E_RNA)
where:
Base-Base interactions energy: -436.546
where: short stacking energy: -190.512
Base-Backbone interact. energy: -1.565
local terms energy: -211.527384
where:
bonds (distance) C4'-P energy: -46.541
bonds (distance) P-C4' energy: -37.656
flat angles C4'-P-C4' energy: -47.091
flat angles P-C4'-P energy: -34.220
tors. eta vs tors. theta energy: -46.019
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: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -545.254963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.254963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.254963 (E_RNA)
where:
Base-Base interactions energy: -342.150
where: short stacking energy: -152.532
Base-Backbone interact. energy: -0.841
local terms energy: -202.264440
where:
bonds (distance) C4'-P energy: -46.208
bonds (distance) P-C4' energy: -49.079
flat angles C4'-P-C4' energy: -41.961
flat angles P-C4'-P energy: -30.686
tors. eta vs tors. theta energy: -34.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -511.825728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.825728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.825728 (E_RNA)
where:
Base-Base interactions energy: -309.117
where: short stacking energy: -151.575
Base-Backbone interact. energy: -1.840
local terms energy: -200.868702
where:
bonds (distance) C4'-P energy: -44.110
bonds (distance) P-C4' energy: -43.651
flat angles C4'-P-C4' energy: -45.425
flat angles P-C4'-P energy: -31.007
tors. eta vs tors. theta energy: -36.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -394.250891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.250891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.250891 (E_RNA)
where:
Base-Base interactions energy: -234.747
where: short stacking energy: -128.247
Base-Backbone interact. energy: 1.466
local terms energy: -160.969747
where:
bonds (distance) C4'-P energy: -32.255
bonds (distance) P-C4' energy: -40.616
flat angles C4'-P-C4' energy: -40.553
flat angles P-C4'-P energy: -31.412
tors. eta vs tors. theta energy: -16.134
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: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -380.457479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.457479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.457479 (E_RNA)
where:
Base-Base interactions energy: -218.060
where: short stacking energy: -104.438
Base-Backbone interact. energy: -0.459
local terms energy: -161.938681
where:
bonds (distance) C4'-P energy: -44.370
bonds (distance) P-C4' energy: -36.935
flat angles C4'-P-C4' energy: -43.811
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -246.995606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.995606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.995606 (E_RNA)
where:
Base-Base interactions energy: -102.730
where: short stacking energy: -74.510
Base-Backbone interact. energy: -0.511
local terms energy: -143.754873
where:
bonds (distance) C4'-P energy: -41.911
bonds (distance) P-C4' energy: -42.266
flat angles C4'-P-C4' energy: -41.230
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -839.870309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.870309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.870309 (E_RNA)
where:
Base-Base interactions energy: -565.241
where: short stacking energy: -264.485
Base-Backbone interact. energy: -0.067
local terms energy: -274.562556
where:
bonds (distance) C4'-P energy: -48.506
bonds (distance) P-C4' energy: -54.802
flat angles C4'-P-C4' energy: -55.188
flat angles P-C4'-P energy: -38.183
tors. eta vs tors. theta energy: -77.884
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: 6
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -797.444564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.444564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.444564 (E_RNA)
where:
Base-Base interactions energy: -545.765
where: short stacking energy: -259.140
Base-Backbone interact. energy: 0.792
local terms energy: -252.471461
where:
bonds (distance) C4'-P energy: -48.735
bonds (distance) P-C4' energy: -49.754
flat angles C4'-P-C4' energy: -47.458
flat angles P-C4'-P energy: -31.977
tors. eta vs tors. theta energy: -74.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -747.119953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.119953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.119953 (E_RNA)
where:
Base-Base interactions energy: -514.651
where: short stacking energy: -212.947
Base-Backbone interact. energy: -0.292
local terms energy: -232.177002
where:
bonds (distance) C4'-P energy: -37.258
bonds (distance) P-C4' energy: -49.049
flat angles C4'-P-C4' energy: -55.810
flat angles P-C4'-P energy: -28.653
tors. eta vs tors. theta energy: -61.407
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: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -709.635887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.635887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.635887 (E_RNA)
where:
Base-Base interactions energy: -496.018
where: short stacking energy: -211.837
Base-Backbone interact. energy: -1.072
local terms energy: -212.545340
where:
bonds (distance) C4'-P energy: -47.848
bonds (distance) P-C4' energy: -46.073
flat angles C4'-P-C4' energy: -42.487
flat angles P-C4'-P energy: -23.316
tors. eta vs tors. theta energy: -52.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -658.953818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.953818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.953818 (E_RNA)
where:
Base-Base interactions energy: -448.003
where: short stacking energy: -212.851
Base-Backbone interact. energy: -1.525
local terms energy: -209.425892
where:
bonds (distance) C4'-P energy: -30.047
bonds (distance) P-C4' energy: -45.002
flat angles C4'-P-C4' energy: -46.888
flat angles P-C4'-P energy: -26.978
tors. eta vs tors. theta energy: -60.510
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: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -593.244800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.244800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.244800 (E_RNA)
where:
Base-Base interactions energy: -391.154
where: short stacking energy: -187.975
Base-Backbone interact. energy: -0.156
local terms energy: -201.935086
where:
bonds (distance) C4'-P energy: -32.338
bonds (distance) P-C4' energy: -45.247
flat angles C4'-P-C4' energy: -49.103
flat angles P-C4'-P energy: -29.578
tors. eta vs tors. theta energy: -45.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -505.704742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.704742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.704742 (E_RNA)
where:
Base-Base interactions energy: -316.078
where: short stacking energy: -152.824
Base-Backbone interact. energy: -3.046
local terms energy: -186.581068
where:
bonds (distance) C4'-P energy: -38.593
bonds (distance) P-C4' energy: -33.945
flat angles C4'-P-C4' energy: -42.143
flat angles P-C4'-P energy: -34.279
tors. eta vs tors. theta energy: -37.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -426.474808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.474808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.474808 (E_RNA)
where:
Base-Base interactions energy: -271.140
where: short stacking energy: -125.773
Base-Backbone interact. energy: 0.124
local terms energy: -155.459354
where:
bonds (distance) C4'-P energy: -33.106
bonds (distance) P-C4' energy: -46.962
flat angles C4'-P-C4' energy: -37.918
flat angles P-C4'-P energy: -24.896
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -378.815092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.815092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.815092 (E_RNA)
where:
Base-Base interactions energy: -209.970
where: short stacking energy: -113.858
Base-Backbone interact. energy: -1.331
local terms energy: -167.514478
where:
bonds (distance) C4'-P energy: -39.826
bonds (distance) P-C4' energy: -36.182
flat angles C4'-P-C4' energy: -46.630
flat angles P-C4'-P energy: -26.254
tors. eta vs tors. theta energy: -18.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -228.275487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.275487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.275487 (E_RNA)
where:
Base-Base interactions energy: -80.071
where: short stacking energy: -72.495
Base-Backbone interact. energy: -0.551
local terms energy: -147.653059
where:
bonds (distance) C4'-P energy: -45.487
bonds (distance) P-C4' energy: -35.982
flat angles C4'-P-C4' energy: -45.636
flat angles P-C4'-P energy: -17.476
tors. eta vs tors. theta energy: -3.072
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: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -827.692607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.692607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.692607 (E_RNA)
where:
Base-Base interactions energy: -553.532
where: short stacking energy: -255.633
Base-Backbone interact. energy: -1.046
local terms energy: -273.114708
where:
bonds (distance) C4'-P energy: -52.298
bonds (distance) P-C4' energy: -52.292
flat angles C4'-P-C4' energy: -59.248
flat angles P-C4'-P energy: -38.873
tors. eta vs tors. theta energy: -70.404
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: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -756.561176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.561176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.561176 (E_RNA)
where:
Base-Base interactions energy: -514.380
where: short stacking energy: -225.344
Base-Backbone interact. energy: 5.459
local terms energy: -247.639926
where:
bonds (distance) C4'-P energy: -42.498
bonds (distance) P-C4' energy: -55.726
flat angles C4'-P-C4' energy: -54.905
flat angles P-C4'-P energy: -41.398
tors. eta vs tors. theta energy: -53.112
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: 6
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -779.169867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.169867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.169867 (E_RNA)
where:
Base-Base interactions energy: -524.055
where: short stacking energy: -243.587
Base-Backbone interact. energy: -0.820
local terms energy: -254.294619
where:
bonds (distance) C4'-P energy: -42.238
bonds (distance) P-C4' energy: -45.693
flat angles C4'-P-C4' energy: -63.426
flat angles P-C4'-P energy: -42.611
tors. eta vs tors. theta energy: -60.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -694.943823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.943823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.943823 (E_RNA)
where:
Base-Base interactions energy: -476.043
where: short stacking energy: -204.456
Base-Backbone interact. energy: -1.164
local terms energy: -217.736959
where:
bonds (distance) C4'-P energy: -43.234
bonds (distance) P-C4' energy: -44.072
flat angles C4'-P-C4' energy: -47.342
flat angles P-C4'-P energy: -27.879
tors. eta vs tors. theta energy: -55.211
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: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -666.637344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.637344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.637344 (E_RNA)
where:
Base-Base interactions energy: -447.934
where: short stacking energy: -217.878
Base-Backbone interact. energy: -1.552
local terms energy: -217.151418
where:
bonds (distance) C4'-P energy: -39.896
bonds (distance) P-C4' energy: -45.785
flat angles C4'-P-C4' energy: -48.235
flat angles P-C4'-P energy: -25.374
tors. eta vs tors. theta energy: -57.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -570.665151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.665151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.665151 (E_RNA)
where:
Base-Base interactions energy: -359.305
where: short stacking energy: -157.055
Base-Backbone interact. energy: -1.265
local terms energy: -210.095309
where:
bonds (distance) C4'-P energy: -48.314
bonds (distance) P-C4' energy: -42.811
flat angles C4'-P-C4' energy: -40.955
flat angles P-C4'-P energy: -29.934
tors. eta vs tors. theta energy: -48.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -513.475234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.475234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.475234 (E_RNA)
where:
Base-Base interactions energy: -353.321
where: short stacking energy: -160.981
Base-Backbone interact. energy: -0.803
local terms energy: -159.352133
where:
bonds (distance) C4'-P energy: -39.497
bonds (distance) P-C4' energy: -29.225
flat angles C4'-P-C4' energy: -37.525
flat angles P-C4'-P energy: -22.353
tors. eta vs tors. theta energy: -30.751
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: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -497.140636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.140636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.140636 (E_RNA)
where:
Base-Base interactions energy: -327.168
where: short stacking energy: -162.310
Base-Backbone interact. energy: 0.090
local terms energy: -170.062932
where:
bonds (distance) C4'-P energy: -37.367
bonds (distance) P-C4' energy: -37.253
flat angles C4'-P-C4' energy: -44.108
flat angles P-C4'-P energy: -22.386
tors. eta vs tors. theta energy: -28.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -411.446359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.446359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.446359 (E_RNA)
where:
Base-Base interactions energy: -233.881
where: short stacking energy: -124.422
Base-Backbone interact. energy: -0.080
local terms energy: -177.485752
where:
bonds (distance) C4'-P energy: -40.184
bonds (distance) P-C4' energy: -45.735
flat angles C4'-P-C4' energy: -48.216
flat angles P-C4'-P energy: -22.550
tors. eta vs tors. theta energy: -20.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -271.666418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.666418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.666418 (E_RNA)
where:
Base-Base interactions energy: -134.078
where: short stacking energy: -78.465
Base-Backbone interact. energy: -0.692
local terms energy: -136.896411
where:
bonds (distance) C4'-P energy: -46.851
bonds (distance) P-C4' energy: -37.499
flat angles C4'-P-C4' energy: -41.017
flat angles P-C4'-P energy: -17.238
tors. eta vs tors. theta energy: 5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -823.919049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.919049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.919049 (E_RNA)
where:
Base-Base interactions energy: -549.125
where: short stacking energy: -265.410
Base-Backbone interact. energy: -0.736
local terms energy: -274.058210
where:
bonds (distance) C4'-P energy: -54.591
bonds (distance) P-C4' energy: -53.261
flat angles C4'-P-C4' energy: -51.889
flat angles P-C4'-P energy: -37.454
tors. eta vs tors. theta energy: -76.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -769.634001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.634001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.634001 (E_RNA)
where:
Base-Base interactions energy: -535.512
where: short stacking energy: -226.622
Base-Backbone interact. energy: -2.921
local terms energy: -231.201243
where:
bonds (distance) C4'-P energy: -39.074
bonds (distance) P-C4' energy: -55.208
flat angles C4'-P-C4' energy: -50.490
flat angles P-C4'-P energy: -34.237
tors. eta vs tors. theta energy: -52.192
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: 98
Temperature: 1.000000
Total energy: -762.725680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.725680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.725680 (E_RNA)
where:
Base-Base interactions energy: -530.637
where: short stacking energy: -226.170
Base-Backbone interact. energy: -0.569
local terms energy: -231.519998
where:
bonds (distance) C4'-P energy: -34.201
bonds (distance) P-C4' energy: -48.977
flat angles C4'-P-C4' energy: -52.271
flat angles P-C4'-P energy: -31.656
tors. eta vs tors. theta energy: -64.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -702.033648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.033648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.033648 (E_RNA)
where:
Base-Base interactions energy: -474.887
where: short stacking energy: -218.868
Base-Backbone interact. energy: -0.529
local terms energy: -226.617615
where:
bonds (distance) C4'-P energy: -38.030
bonds (distance) P-C4' energy: -47.783
flat angles C4'-P-C4' energy: -51.105
flat angles P-C4'-P energy: -35.347
tors. eta vs tors. theta energy: -54.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -638.759103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.759103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.759103 (E_RNA)
where:
Base-Base interactions energy: -416.818
where: short stacking energy: -201.857
Base-Backbone interact. energy: -1.306
local terms energy: -220.635434
where:
bonds (distance) C4'-P energy: -38.895
bonds (distance) P-C4' energy: -52.437
flat angles C4'-P-C4' energy: -47.972
flat angles P-C4'-P energy: -31.226
tors. eta vs tors. theta energy: -50.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -575.238579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.238579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.238579 (E_RNA)
where:
Base-Base interactions energy: -380.790
where: short stacking energy: -175.418
Base-Backbone interact. energy: -0.524
local terms energy: -193.924288
where:
bonds (distance) C4'-P energy: -36.392
bonds (distance) P-C4' energy: -45.562
flat angles C4'-P-C4' energy: -39.575
flat angles P-C4'-P energy: -27.905
tors. eta vs tors. theta energy: -44.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -502.137288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.137288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.137288 (E_RNA)
where:
Base-Base interactions energy: -315.469
where: short stacking energy: -162.965
Base-Backbone interact. energy: 0.255
local terms energy: -186.923686
where:
bonds (distance) C4'-P energy: -46.090
bonds (distance) P-C4' energy: -36.394
flat angles C4'-P-C4' energy: -49.264
flat angles P-C4'-P energy: -28.714
tors. eta vs tors. theta energy: -26.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -490.454530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.454530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.454530 (E_RNA)
where:
Base-Base interactions energy: -298.123
where: short stacking energy: -141.847
Base-Backbone interact. energy: -0.870
local terms energy: -191.462388
where:
bonds (distance) C4'-P energy: -34.899
bonds (distance) P-C4' energy: -49.787
flat angles C4'-P-C4' energy: -40.347
flat angles P-C4'-P energy: -29.165
tors. eta vs tors. theta energy: -37.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -396.358650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.358650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.358650 (E_RNA)
where:
Base-Base interactions energy: -231.512
where: short stacking energy: -120.532
Base-Backbone interact. energy: -1.436
local terms energy: -163.410653
where:
bonds (distance) C4'-P energy: -43.497
bonds (distance) P-C4' energy: -39.613
flat angles C4'-P-C4' energy: -39.065
flat angles P-C4'-P energy: -23.748
tors. eta vs tors. theta energy: -17.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -290.550999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.550999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.550999 (E_RNA)
where:
Base-Base interactions energy: -146.184
where: short stacking energy: -80.943
Base-Backbone interact. energy: -1.347
local terms energy: -143.019744
where:
bonds (distance) C4'-P energy: -44.544
bonds (distance) P-C4' energy: -36.946
flat angles C4'-P-C4' energy: -35.812
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -830.694421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.694421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.694421 (E_RNA)
where:
Base-Base interactions energy: -561.569
where: short stacking energy: -264.341
Base-Backbone interact. energy: 0.656
local terms energy: -269.780571
where:
bonds (distance) C4'-P energy: -48.440
bonds (distance) P-C4' energy: -47.957
flat angles C4'-P-C4' energy: -56.780
flat angles P-C4'-P energy: -43.046
tors. eta vs tors. theta energy: -73.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -800.734598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.734598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.734598 (E_RNA)
where:
Base-Base interactions energy: -529.246
where: short stacking energy: -243.527
Base-Backbone interact. energy: -0.955
local terms energy: -270.533670
where:
bonds (distance) C4'-P energy: -54.429
bonds (distance) P-C4' energy: -46.849
flat angles C4'-P-C4' energy: -58.048
flat angles P-C4'-P energy: -40.114
tors. eta vs tors. theta energy: -71.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -758.482877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.482877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.482877 (E_RNA)
where:
Base-Base interactions energy: -529.146
where: short stacking energy: -222.495
Base-Backbone interact. energy: -0.092
local terms energy: -229.245007
where:
bonds (distance) C4'-P energy: -44.421
bonds (distance) P-C4' energy: -46.375
flat angles C4'-P-C4' energy: -53.938
flat angles P-C4'-P energy: -34.979
tors. eta vs tors. theta energy: -49.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -728.434165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.434165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.434165 (E_RNA)
where:
Base-Base interactions energy: -488.374
where: short stacking energy: -208.472
Base-Backbone interact. energy: -1.066
local terms energy: -238.994492
where:
bonds (distance) C4'-P energy: -29.672
bonds (distance) P-C4' energy: -57.348
flat angles C4'-P-C4' energy: -48.515
flat angles P-C4'-P energy: -40.133
tors. eta vs tors. theta energy: -63.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -646.882952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.882952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.882952 (E_RNA)
where:
Base-Base interactions energy: -427.324
where: short stacking energy: -186.764
Base-Backbone interact. energy: -0.309
local terms energy: -219.249536
where:
bonds (distance) C4'-P energy: -46.921
bonds (distance) P-C4' energy: -39.512
flat angles C4'-P-C4' energy: -54.058
flat angles P-C4'-P energy: -33.407
tors. eta vs tors. theta energy: -45.352
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: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -630.665948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.665948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.665948 (E_RNA)
where:
Base-Base interactions energy: -421.900
where: short stacking energy: -193.531
Base-Backbone interact. energy: -1.005
local terms energy: -207.761481
where:
bonds (distance) C4'-P energy: -45.132
bonds (distance) P-C4' energy: -45.959
flat angles C4'-P-C4' energy: -45.368
flat angles P-C4'-P energy: -26.739
tors. eta vs tors. theta energy: -44.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -553.561562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.561562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.561562 (E_RNA)
where:
Base-Base interactions energy: -366.933
where: short stacking energy: -164.128
Base-Backbone interact. energy: 0.375
local terms energy: -187.003034
where:
bonds (distance) C4'-P energy: -41.854
bonds (distance) P-C4' energy: -42.170
flat angles C4'-P-C4' energy: -44.071
flat angles P-C4'-P energy: -29.870
tors. eta vs tors. theta energy: -29.039
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: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -463.503406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.503406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.503406 (E_RNA)
where:
Base-Base interactions energy: -294.304
where: short stacking energy: -140.785
Base-Backbone interact. energy: 2.007
local terms energy: -171.206250
where:
bonds (distance) C4'-P energy: -30.603
bonds (distance) P-C4' energy: -39.496
flat angles C4'-P-C4' energy: -43.469
flat angles P-C4'-P energy: -28.109
tors. eta vs tors. theta energy: -29.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -385.476228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.476228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.476228 (E_RNA)
where:
Base-Base interactions energy: -229.832
where: short stacking energy: -103.002
Base-Backbone interact. energy: 0.611
local terms energy: -156.255737
where:
bonds (distance) C4'-P energy: -37.005
bonds (distance) P-C4' energy: -49.070
flat angles C4'-P-C4' energy: -37.076
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -266.271162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.271162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.271162 (E_RNA)
where:
Base-Base interactions energy: -125.679
where: short stacking energy: -76.550
Base-Backbone interact. energy: 3.901
local terms energy: -144.493722
where:
bonds (distance) C4'-P energy: -42.419
bonds (distance) P-C4' energy: -43.632
flat angles C4'-P-C4' energy: -35.351
flat angles P-C4'-P energy: -28.834
tors. eta vs tors. theta energy: 5.742
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: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -842.774954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.774954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.774954 (E_RNA)
where:
Base-Base interactions energy: -559.070
where: short stacking energy: -260.437
Base-Backbone interact. energy: -1.048
local terms energy: -282.657056
where:
bonds (distance) C4'-P energy: -53.080
bonds (distance) P-C4' energy: -53.232
flat angles C4'-P-C4' energy: -57.419
flat angles P-C4'-P energy: -40.715
tors. eta vs tors. theta energy: -78.211
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: 100
Temperature: 0.950000
Total energy: -780.147776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.147776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.147776 (E_RNA)
where:
Base-Base interactions energy: -524.308
where: short stacking energy: -226.404
Base-Backbone interact. energy: 0.204
local terms energy: -256.043657
where:
bonds (distance) C4'-P energy: -52.251
bonds (distance) P-C4' energy: -46.965
flat angles C4'-P-C4' energy: -49.418
flat angles P-C4'-P energy: -42.434
tors. eta vs tors. theta energy: -64.976
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: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -740.789440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.789440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.789440 (E_RNA)
where:
Base-Base interactions energy: -489.338
where: short stacking energy: -223.202
Base-Backbone interact. energy: -1.939
local terms energy: -249.512751
where:
bonds (distance) C4'-P energy: -43.507
bonds (distance) P-C4' energy: -48.469
flat angles C4'-P-C4' energy: -50.808
flat angles P-C4'-P energy: -36.643
tors. eta vs tors. theta energy: -70.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -744.557247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.557247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.557247 (E_RNA)
where:
Base-Base interactions energy: -507.611
where: short stacking energy: -215.666
Base-Backbone interact. energy: -2.640
local terms energy: -234.306879
where:
bonds (distance) C4'-P energy: -41.095
bonds (distance) P-C4' energy: -46.527
flat angles C4'-P-C4' energy: -52.839
flat angles P-C4'-P energy: -41.877
tors. eta vs tors. theta energy: -51.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -645.310990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.310990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.310990 (E_RNA)
where:
Base-Base interactions energy: -426.413
where: short stacking energy: -189.638
Base-Backbone interact. energy: -0.817
local terms energy: -218.080923
where:
bonds (distance) C4'-P energy: -37.266
bonds (distance) P-C4' energy: -43.422
flat angles C4'-P-C4' energy: -56.227
flat angles P-C4'-P energy: -36.420
tors. eta vs tors. theta energy: -44.745
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: 6, replica: 5
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -638.386871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.386871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.386871 (E_RNA)
where:
Base-Base interactions energy: -423.797
where: short stacking energy: -192.979
Base-Backbone interact. energy: -1.049
local terms energy: -213.541328
where:
bonds (distance) C4'-P energy: -36.108
bonds (distance) P-C4' energy: -48.112
flat angles C4'-P-C4' energy: -30.644
flat angles P-C4'-P energy: -37.849
tors. eta vs tors. theta energy: -60.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -545.828199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.828199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.828199 (E_RNA)
where:
Base-Base interactions energy: -356.535
where: short stacking energy: -155.358
Base-Backbone interact. energy: 0.061
local terms energy: -189.354559
where:
bonds (distance) C4'-P energy: -40.229
bonds (distance) P-C4' energy: -43.614
flat angles C4'-P-C4' energy: -48.764
flat angles P-C4'-P energy: -21.806
tors. eta vs tors. theta energy: -34.942
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: 8, replica: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -425.398529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.398529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.398529 (E_RNA)
where:
Base-Base interactions energy: -252.592
where: short stacking energy: -101.654
Base-Backbone interact. energy: -1.106
local terms energy: -171.699931
where:
bonds (distance) C4'-P energy: -41.291
bonds (distance) P-C4' energy: -47.795
flat angles C4'-P-C4' energy: -43.979
flat angles P-C4'-P energy: -21.923
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -384.488333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.488333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.488333 (E_RNA)
where:
Base-Base interactions energy: -226.147
where: short stacking energy: -120.167
Base-Backbone interact. energy: -0.527
local terms energy: -157.814270
where:
bonds (distance) C4'-P energy: -38.067
bonds (distance) P-C4' energy: -46.522
flat angles C4'-P-C4' energy: -37.207
flat angles P-C4'-P energy: -23.308
tors. eta vs tors. theta energy: -12.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -262.373108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.373108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.373108 (E_RNA)
where:
Base-Base interactions energy: -116.961
where: short stacking energy: -84.116
Base-Backbone interact. energy: -0.458
local terms energy: -144.953753
where:
bonds (distance) C4'-P energy: -41.310
bonds (distance) P-C4' energy: -43.795
flat angles C4'-P-C4' energy: -36.988
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -833.104406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.104406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.104406 (E_RNA)
where:
Base-Base interactions energy: -571.471
where: short stacking energy: -269.228
Base-Backbone interact. energy: -0.648
local terms energy: -260.985394
where:
bonds (distance) C4'-P energy: -44.742
bonds (distance) P-C4' energy: -46.121
flat angles C4'-P-C4' energy: -54.206
flat angles P-C4'-P energy: -39.921
tors. eta vs tors. theta energy: -75.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -760.836552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.836552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.836552 (E_RNA)
where:
Base-Base interactions energy: -515.905
where: short stacking energy: -245.824
Base-Backbone interact. energy: -1.345
local terms energy: -243.586891
where:
bonds (distance) C4'-P energy: -47.799
bonds (distance) P-C4' energy: -54.360
flat angles C4'-P-C4' energy: -50.564
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -62.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -760.905282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.905282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.905282 (E_RNA)
where:
Base-Base interactions energy: -521.728
where: short stacking energy: -234.841
Base-Backbone interact. energy: -0.673
local terms energy: -238.504021
where:
bonds (distance) C4'-P energy: -37.948
bonds (distance) P-C4' energy: -45.094
flat angles C4'-P-C4' energy: -52.710
flat angles P-C4'-P energy: -31.268
tors. eta vs tors. theta energy: -71.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -722.024324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.024324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.024324 (E_RNA)
where:
Base-Base interactions energy: -516.984
where: short stacking energy: -201.885
Base-Backbone interact. energy: -1.074
local terms energy: -203.966416
where:
bonds (distance) C4'-P energy: -32.929
bonds (distance) P-C4' energy: -42.350
flat angles C4'-P-C4' energy: -46.662
flat angles P-C4'-P energy: -32.398
tors. eta vs tors. theta energy: -49.627
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: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -633.541890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.541890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.541890 (E_RNA)
where:
Base-Base interactions energy: -411.695
where: short stacking energy: -188.045
Base-Backbone interact. energy: 0.117
local terms energy: -221.963402
where:
bonds (distance) C4'-P energy: -36.730
bonds (distance) P-C4' energy: -49.973
flat angles C4'-P-C4' energy: -50.126
flat angles P-C4'-P energy: -34.211
tors. eta vs tors. theta energy: -50.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -638.991687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.991687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.991687 (E_RNA)
where:
Base-Base interactions energy: -416.773
where: short stacking energy: -194.260
Base-Backbone interact. energy: -2.662
local terms energy: -219.556402
where:
bonds (distance) C4'-P energy: -35.351
bonds (distance) P-C4' energy: -47.902
flat angles C4'-P-C4' energy: -53.968
flat angles P-C4'-P energy: -31.211
tors. eta vs tors. theta energy: -51.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -564.262324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.262324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.262324 (E_RNA)
where:
Base-Base interactions energy: -373.100
where: short stacking energy: -164.552
Base-Backbone interact. energy: 0.914
local terms energy: -192.076673
where:
bonds (distance) C4'-P energy: -38.152
bonds (distance) P-C4' energy: -46.169
flat angles C4'-P-C4' energy: -45.917
flat angles P-C4'-P energy: -26.925
tors. eta vs tors. theta energy: -34.914
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: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -456.498756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.498756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.498756 (E_RNA)
where:
Base-Base interactions energy: -270.984
where: short stacking energy: -141.739
Base-Backbone interact. energy: 0.511
local terms energy: -186.025611
where:
bonds (distance) C4'-P energy: -38.979
bonds (distance) P-C4' energy: -47.673
flat angles C4'-P-C4' energy: -47.565
flat angles P-C4'-P energy: -29.125
tors. eta vs tors. theta energy: -22.684
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: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -402.317474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.317474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.317474 (E_RNA)
where:
Base-Base interactions energy: -248.021
where: short stacking energy: -124.768
Base-Backbone interact. energy: 4.875
local terms energy: -159.171033
where:
bonds (distance) C4'-P energy: -30.074
bonds (distance) P-C4' energy: -36.391
flat angles C4'-P-C4' energy: -43.268
flat angles P-C4'-P energy: -24.380
tors. eta vs tors. theta energy: -25.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -220.830192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.830192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.830192 (E_RNA)
where:
Base-Base interactions energy: -99.805
where: short stacking energy: -79.678
Base-Backbone interact. energy: -0.699
local terms energy: -120.326131
where:
bonds (distance) C4'-P energy: -31.759
bonds (distance) P-C4' energy: -29.519
flat angles C4'-P-C4' energy: -39.602
flat angles P-C4'-P energy: -25.377
tors. eta vs tors. theta energy: 5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -823.159880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.159880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.159880 (E_RNA)
where:
Base-Base interactions energy: -565.237
where: short stacking energy: -261.229
Base-Backbone interact. energy: -0.261
local terms energy: -257.661105
where:
bonds (distance) C4'-P energy: -41.368
bonds (distance) P-C4' energy: -54.541
flat angles C4'-P-C4' energy: -49.488
flat angles P-C4'-P energy: -35.816
tors. eta vs tors. theta energy: -76.448
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: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -768.786048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.786048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.786048 (E_RNA)
where:
Base-Base interactions energy: -523.303
where: short stacking energy: -247.265
Base-Backbone interact. energy: 0.319
local terms energy: -245.802053
where:
bonds (distance) C4'-P energy: -42.509
bonds (distance) P-C4' energy: -46.961
flat angles C4'-P-C4' energy: -52.000
flat angles P-C4'-P energy: -38.228
tors. eta vs tors. theta energy: -66.105
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: 6
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -771.321311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.321311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.321311 (E_RNA)
where:
Base-Base interactions energy: -515.199
where: short stacking energy: -240.722
Base-Backbone interact. energy: -0.882
local terms energy: -255.240971
where:
bonds (distance) C4'-P energy: -46.001
bonds (distance) P-C4' energy: -58.620
flat angles C4'-P-C4' energy: -50.739
flat angles P-C4'-P energy: -34.010
tors. eta vs tors. theta energy: -65.871
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: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -714.577866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.577866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.577866 (E_RNA)
where:
Base-Base interactions energy: -513.421
where: short stacking energy: -205.230
Base-Backbone interact. energy: -0.654
local terms energy: -200.502207
where:
bonds (distance) C4'-P energy: -32.821
bonds (distance) P-C4' energy: -43.852
flat angles C4'-P-C4' energy: -46.857
flat angles P-C4'-P energy: -36.939
tors. eta vs tors. theta energy: -40.032
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: 5, replica: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -674.426332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.426332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.426332 (E_RNA)
where:
Base-Base interactions energy: -447.713
where: short stacking energy: -188.894
Base-Backbone interact. energy: -2.130
local terms energy: -224.583282
where:
bonds (distance) C4'-P energy: -44.599
bonds (distance) P-C4' energy: -45.359
flat angles C4'-P-C4' energy: -52.660
flat angles P-C4'-P energy: -31.392
tors. eta vs tors. theta energy: -50.574
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: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -614.699803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.699803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.699803 (E_RNA)
where:
Base-Base interactions energy: -401.528
where: short stacking energy: -181.724
Base-Backbone interact. energy: 0.601
local terms energy: -213.773127
where:
bonds (distance) C4'-P energy: -52.009
bonds (distance) P-C4' energy: -36.734
flat angles C4'-P-C4' energy: -50.716
flat angles P-C4'-P energy: -33.852
tors. eta vs tors. theta energy: -40.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -591.892160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.892160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.892160 (E_RNA)
where:
Base-Base interactions energy: -385.316
where: short stacking energy: -173.398
Base-Backbone interact. energy: -0.970
local terms energy: -205.606681
where:
bonds (distance) C4'-P energy: -36.454
bonds (distance) P-C4' energy: -51.791
flat angles C4'-P-C4' energy: -45.476
flat angles P-C4'-P energy: -27.314
tors. eta vs tors. theta energy: -44.571
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: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -436.589650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.589650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.589650 (E_RNA)
where:
Base-Base interactions energy: -266.454
where: short stacking energy: -128.649
Base-Backbone interact. energy: -0.898
local terms energy: -169.236844
where:
bonds (distance) C4'-P energy: -40.126
bonds (distance) P-C4' energy: -39.330
flat angles C4'-P-C4' energy: -41.088
flat angles P-C4'-P energy: -31.634
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -386.739355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.739355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.739355 (E_RNA)
where:
Base-Base interactions energy: -223.609
where: short stacking energy: -115.833
Base-Backbone interact. energy: -0.586
local terms energy: -162.544538
where:
bonds (distance) C4'-P energy: -36.978
bonds (distance) P-C4' energy: -42.785
flat angles C4'-P-C4' energy: -39.042
flat angles P-C4'-P energy: -23.558
tors. eta vs tors. theta energy: -20.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -227.040325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.040325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.040325 (E_RNA)
where:
Base-Base interactions energy: -86.108
where: short stacking energy: -66.145
Base-Backbone interact. energy: -1.014
local terms energy: -139.918289
where:
bonds (distance) C4'-P energy: -44.968
bonds (distance) P-C4' energy: -41.365
flat angles C4'-P-C4' energy: -38.167
flat angles P-C4'-P energy: -19.600
tors. eta vs tors. theta energy: 4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -833.564855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.564855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.564855 (E_RNA)
where:
Base-Base interactions energy: -554.240
where: short stacking energy: -267.181
Base-Backbone interact. energy: -0.320
local terms energy: -279.005416
where:
bonds (distance) C4'-P energy: -55.360
bonds (distance) P-C4' energy: -53.490
flat angles C4'-P-C4' energy: -53.567
flat angles P-C4'-P energy: -40.285
tors. eta vs tors. theta energy: -76.303
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: 6
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -791.897162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.897162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.897162 (E_RNA)
where:
Base-Base interactions energy: -545.264
where: short stacking energy: -241.673
Base-Backbone interact. energy: -0.994
local terms energy: -245.639110
where:
bonds (distance) C4'-P energy: -45.393
bonds (distance) P-C4' energy: -51.711
flat angles C4'-P-C4' energy: -49.527
flat angles P-C4'-P energy: -32.915
tors. eta vs tors. theta energy: -66.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -756.981683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.981683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.981683 (E_RNA)
where:
Base-Base interactions energy: -524.735
where: short stacking energy: -236.670
Base-Backbone interact. energy: 1.603
local terms energy: -233.849982
where:
bonds (distance) C4'-P energy: -46.628
bonds (distance) P-C4' energy: -41.085
flat angles C4'-P-C4' energy: -46.598
flat angles P-C4'-P energy: -38.532
tors. eta vs tors. theta energy: -61.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -745.157808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.157808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.157808 (E_RNA)
where:
Base-Base interactions energy: -524.324
where: short stacking energy: -215.804
Base-Backbone interact. energy: 2.479
local terms energy: -223.312984
where:
bonds (distance) C4'-P energy: -48.432
bonds (distance) P-C4' energy: -45.760
flat angles C4'-P-C4' energy: -52.478
flat angles P-C4'-P energy: -31.768
tors. eta vs tors. theta energy: -44.875
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: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -691.176930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.176930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.176930 (E_RNA)
where:
Base-Base interactions energy: -453.295
where: short stacking energy: -202.774
Base-Backbone interact. energy: 1.213
local terms energy: -239.094640
where:
bonds (distance) C4'-P energy: -48.194
bonds (distance) P-C4' energy: -46.795
flat angles C4'-P-C4' energy: -48.368
flat angles P-C4'-P energy: -36.951
tors. eta vs tors. theta energy: -58.786
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: 9
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -642.982347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.982347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.982347 (E_RNA)
where:
Base-Base interactions energy: -421.192
where: short stacking energy: -201.448
Base-Backbone interact. energy: -0.255
local terms energy: -221.535876
where:
bonds (distance) C4'-P energy: -47.370
bonds (distance) P-C4' energy: -39.067
flat angles C4'-P-C4' energy: -47.452
flat angles P-C4'-P energy: -30.548
tors. eta vs tors. theta energy: -57.099
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: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -605.563752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.563752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.563752 (E_RNA)
where:
Base-Base interactions energy: -401.742
where: short stacking energy: -185.128
Base-Backbone interact. energy: -0.980
local terms energy: -202.841574
where:
bonds (distance) C4'-P energy: -35.909
bonds (distance) P-C4' energy: -38.698
flat angles C4'-P-C4' energy: -49.935
flat angles P-C4'-P energy: -27.424
tors. eta vs tors. theta energy: -50.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -410.991386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.991386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.991386 (E_RNA)
where:
Base-Base interactions energy: -253.034
where: short stacking energy: -125.742
Base-Backbone interact. energy: -1.000
local terms energy: -156.957607
where:
bonds (distance) C4'-P energy: -45.630
bonds (distance) P-C4' energy: -37.730
flat angles C4'-P-C4' energy: -41.639
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -19.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -430.130549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.130549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.130549 (E_RNA)
where:
Base-Base interactions energy: -253.075
where: short stacking energy: -120.865
Base-Backbone interact. energy: 0.791
local terms energy: -177.846207
where:
bonds (distance) C4'-P energy: -44.417
bonds (distance) P-C4' energy: -47.018
flat angles C4'-P-C4' energy: -38.775
flat angles P-C4'-P energy: -27.191
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -222.287264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.287264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.287264 (E_RNA)
where:
Base-Base interactions energy: -96.935
where: short stacking energy: -86.428
Base-Backbone interact. energy: -1.186
local terms energy: -124.165921
where:
bonds (distance) C4'-P energy: -33.526
bonds (distance) P-C4' energy: -38.861
flat angles C4'-P-C4' energy: -37.243
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: 1.610
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: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -839.587697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.587697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.587697 (E_RNA)
where:
Base-Base interactions energy: -573.821
where: short stacking energy: -271.525
Base-Backbone interact. energy: -0.249
local terms energy: -265.517267
where:
bonds (distance) C4'-P energy: -44.423
bonds (distance) P-C4' energy: -49.331
flat angles C4'-P-C4' energy: -52.750
flat angles P-C4'-P energy: -35.639
tors. eta vs tors. theta energy: -83.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -761.149147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.149147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.149147 (E_RNA)
where:
Base-Base interactions energy: -512.814
where: short stacking energy: -246.916
Base-Backbone interact. energy: -1.417
local terms energy: -246.918157
where:
bonds (distance) C4'-P energy: -46.254
bonds (distance) P-C4' energy: -40.319
flat angles C4'-P-C4' energy: -57.778
flat angles P-C4'-P energy: -31.782
tors. eta vs tors. theta energy: -70.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -766.714892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.714892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.714892 (E_RNA)
where:
Base-Base interactions energy: -543.986
where: short stacking energy: -232.957
Base-Backbone interact. energy: -3.129
local terms energy: -219.599838
where:
bonds (distance) C4'-P energy: -41.743
bonds (distance) P-C4' energy: -50.277
flat angles C4'-P-C4' energy: -46.975
flat angles P-C4'-P energy: -30.103
tors. eta vs tors. theta energy: -50.502
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: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -758.423501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.423501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.423501 (E_RNA)
where:
Base-Base interactions energy: -525.539
where: short stacking energy: -226.964
Base-Backbone interact. energy: -2.798
local terms energy: -230.085921
where:
bonds (distance) C4'-P energy: -48.992
bonds (distance) P-C4' energy: -39.696
flat angles C4'-P-C4' energy: -49.467
flat angles P-C4'-P energy: -31.802
tors. eta vs tors. theta energy: -60.128
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: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -667.297986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.297986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.297986 (E_RNA)
where:
Base-Base interactions energy: -463.934
where: short stacking energy: -189.945
Base-Backbone interact. energy: -1.838
local terms energy: -201.526212
where:
bonds (distance) C4'-P energy: -43.593
bonds (distance) P-C4' energy: -39.152
flat angles C4'-P-C4' energy: -41.248
flat angles P-C4'-P energy: -29.362
tors. eta vs tors. theta energy: -48.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -622.875701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.875701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.875701 (E_RNA)
where:
Base-Base interactions energy: -404.647
where: short stacking energy: -189.211
Base-Backbone interact. energy: -1.194
local terms energy: -217.035179
where:
bonds (distance) C4'-P energy: -43.364
bonds (distance) P-C4' energy: -43.842
flat angles C4'-P-C4' energy: -46.499
flat angles P-C4'-P energy: -34.706
tors. eta vs tors. theta energy: -48.623
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: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -584.855061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.855061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.855061 (E_RNA)
where:
Base-Base interactions energy: -375.797
where: short stacking energy: -182.109
Base-Backbone interact. energy: -1.117
local terms energy: -207.941157
where:
bonds (distance) C4'-P energy: -48.354
bonds (distance) P-C4' energy: -39.011
flat angles C4'-P-C4' energy: -39.739
flat angles P-C4'-P energy: -30.403
tors. eta vs tors. theta energy: -50.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -423.673906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.673906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.673906 (E_RNA)
where:
Base-Base interactions energy: -248.670
where: short stacking energy: -129.986
Base-Backbone interact. energy: 0.623
local terms energy: -175.627019
where:
bonds (distance) C4'-P energy: -40.191
bonds (distance) P-C4' energy: -45.135
flat angles C4'-P-C4' energy: -44.856
flat angles P-C4'-P energy: -25.993
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -447.583195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.583195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.583195 (E_RNA)
where:
Base-Base interactions energy: -278.334
where: short stacking energy: -128.110
Base-Backbone interact. energy: -0.364
local terms energy: -168.885658
where:
bonds (distance) C4'-P energy: -41.979
bonds (distance) P-C4' energy: -32.481
flat angles C4'-P-C4' energy: -41.124
flat angles P-C4'-P energy: -29.403
tors. eta vs tors. theta energy: -23.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -220.388661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.388661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.388661 (E_RNA)
where:
Base-Base interactions energy: -81.532
where: short stacking energy: -70.566
Base-Backbone interact. energy: -0.338
local terms energy: -138.518516
where:
bonds (distance) C4'-P energy: -36.515
bonds (distance) P-C4' energy: -41.045
flat angles C4'-P-C4' energy: -34.103
flat angles P-C4'-P energy: -25.087
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -830.279393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.279393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.279393 (E_RNA)
where:
Base-Base interactions energy: -546.499
where: short stacking energy: -256.957
Base-Backbone interact. energy: -1.173
local terms energy: -282.606786
where:
bonds (distance) C4'-P energy: -53.752
bonds (distance) P-C4' energy: -52.653
flat angles C4'-P-C4' energy: -53.723
flat angles P-C4'-P energy: -42.670
tors. eta vs tors. theta energy: -79.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -770.585972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.585972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.585972 (E_RNA)
where:
Base-Base interactions energy: -537.822
where: short stacking energy: -223.947
Base-Backbone interact. energy: 3.284
local terms energy: -236.048250
where:
bonds (distance) C4'-P energy: -49.946
bonds (distance) P-C4' energy: -49.554
flat angles C4'-P-C4' energy: -49.515
flat angles P-C4'-P energy: -30.248
tors. eta vs tors. theta energy: -56.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -744.349256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.349256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.349256 (E_RNA)
where:
Base-Base interactions energy: -514.508
where: short stacking energy: -237.461
Base-Backbone interact. energy: 0.021
local terms energy: -229.861822
where:
bonds (distance) C4'-P energy: -40.142
bonds (distance) P-C4' energy: -44.440
flat angles C4'-P-C4' energy: -42.129
flat angles P-C4'-P energy: -38.072
tors. eta vs tors. theta energy: -65.078
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: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -708.055519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.055519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.055519 (E_RNA)
where:
Base-Base interactions energy: -479.642
where: short stacking energy: -211.134
Base-Backbone interact. energy: -1.351
local terms energy: -227.062191
where:
bonds (distance) C4'-P energy: -45.763
bonds (distance) P-C4' energy: -45.314
flat angles C4'-P-C4' energy: -50.469
flat angles P-C4'-P energy: -29.830
tors. eta vs tors. theta energy: -55.687
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: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -689.065448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.065448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.065448 (E_RNA)
where:
Base-Base interactions energy: -484.994
where: short stacking energy: -200.877
Base-Backbone interact. energy: -1.303
local terms energy: -202.768713
where:
bonds (distance) C4'-P energy: -31.383
bonds (distance) P-C4' energy: -43.834
flat angles C4'-P-C4' energy: -49.481
flat angles P-C4'-P energy: -25.186
tors. eta vs tors. theta energy: -52.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -626.367349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.367349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.367349 (E_RNA)
where:
Base-Base interactions energy: -423.790
where: short stacking energy: -192.450
Base-Backbone interact. energy: -0.378
local terms energy: -202.198996
where:
bonds (distance) C4'-P energy: -37.978
bonds (distance) P-C4' energy: -42.441
flat angles C4'-P-C4' energy: -50.188
flat angles P-C4'-P energy: -26.196
tors. eta vs tors. theta energy: -45.395
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: 7, replica: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -599.564115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.564115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.564115 (E_RNA)
where:
Base-Base interactions energy: -411.130
where: short stacking energy: -184.645
Base-Backbone interact. energy: 1.861
local terms energy: -190.295005
where:
bonds (distance) C4'-P energy: -33.374
bonds (distance) P-C4' energy: -42.005
flat angles C4'-P-C4' energy: -49.772
flat angles P-C4'-P energy: -20.481
tors. eta vs tors. theta energy: -44.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -435.357094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.357094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.357094 (E_RNA)
where:
Base-Base interactions energy: -260.184
where: short stacking energy: -125.918
Base-Backbone interact. energy: -1.607
local terms energy: -173.565797
where:
bonds (distance) C4'-P energy: -52.298
bonds (distance) P-C4' energy: -36.630
flat angles C4'-P-C4' energy: -38.493
flat angles P-C4'-P energy: -31.408
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -477.834994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.834994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.834994 (E_RNA)
where:
Base-Base interactions energy: -294.804
where: short stacking energy: -145.772
Base-Backbone interact. energy: 0.885
local terms energy: -183.915678
where:
bonds (distance) C4'-P energy: -30.795
bonds (distance) P-C4' energy: -45.991
flat angles C4'-P-C4' energy: -48.151
flat angles P-C4'-P energy: -30.450
tors. eta vs tors. theta energy: -28.528
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: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -222.698861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.698861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.698861 (E_RNA)
where:
Base-Base interactions energy: -92.102
where: short stacking energy: -69.056
Base-Backbone interact. energy: -0.537
local terms energy: -130.059811
where:
bonds (distance) C4'-P energy: -34.767
bonds (distance) P-C4' energy: -39.752
flat angles C4'-P-C4' energy: -34.638
flat angles P-C4'-P energy: -20.071
tors. eta vs tors. theta energy: -0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -830.149660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.149660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.149660 (E_RNA)
where:
Base-Base interactions energy: -559.650
where: short stacking energy: -269.468
Base-Backbone interact. energy: -0.404
local terms energy: -270.095539
where:
bonds (distance) C4'-P energy: -47.178
bonds (distance) P-C4' energy: -45.059
flat angles C4'-P-C4' energy: -55.009
flat angles P-C4'-P energy: -39.603
tors. eta vs tors. theta energy: -83.246
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: 2, replica: 10
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -792.377194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.377194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.377194 (E_RNA)
where:
Base-Base interactions energy: -557.141
where: short stacking energy: -232.889
Base-Backbone interact. energy: -1.489
local terms energy: -233.746972
where:
bonds (distance) C4'-P energy: -39.228
bonds (distance) P-C4' energy: -50.062
flat angles C4'-P-C4' energy: -52.192
flat angles P-C4'-P energy: -35.659
tors. eta vs tors. theta energy: -56.606
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: 6
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -737.818417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.818417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.818417 (E_RNA)
where:
Base-Base interactions energy: -492.932
where: short stacking energy: -229.393
Base-Backbone interact. energy: -3.683
local terms energy: -241.203578
where:
bonds (distance) C4'-P energy: -47.540
bonds (distance) P-C4' energy: -45.910
flat angles C4'-P-C4' energy: -47.090
flat angles P-C4'-P energy: -40.376
tors. eta vs tors. theta energy: -60.288
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: 4, replica: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -730.766585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.766585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.766585 (E_RNA)
where:
Base-Base interactions energy: -497.439
where: short stacking energy: -215.156
Base-Backbone interact. energy: -1.723
local terms energy: -231.604532
where:
bonds (distance) C4'-P energy: -34.693
bonds (distance) P-C4' energy: -52.585
flat angles C4'-P-C4' energy: -51.770
flat angles P-C4'-P energy: -31.714
tors. eta vs tors. theta energy: -60.843
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: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -691.200136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.200136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.200136 (E_RNA)
where:
Base-Base interactions energy: -490.471
where: short stacking energy: -204.755
Base-Backbone interact. energy: 0.019
local terms energy: -200.748516
where:
bonds (distance) C4'-P energy: -39.494
bonds (distance) P-C4' energy: -39.473
flat angles C4'-P-C4' energy: -47.566
flat angles P-C4'-P energy: -23.560
tors. eta vs tors. theta energy: -50.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -633.839316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.839316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.839316 (E_RNA)
where:
Base-Base interactions energy: -416.851
where: short stacking energy: -195.094
Base-Backbone interact. energy: -0.234
local terms energy: -216.753699
where:
bonds (distance) C4'-P energy: -43.775
bonds (distance) P-C4' energy: -49.894
flat angles C4'-P-C4' energy: -44.029
flat angles P-C4'-P energy: -26.604
tors. eta vs tors. theta energy: -52.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -583.363411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.363411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.363411 (E_RNA)
where:
Base-Base interactions energy: -379.157
where: short stacking energy: -166.133
Base-Backbone interact. energy: -1.198
local terms energy: -203.008205
where:
bonds (distance) C4'-P energy: -40.577
bonds (distance) P-C4' energy: -52.801
flat angles C4'-P-C4' energy: -52.574
flat angles P-C4'-P energy: -25.363
tors. eta vs tors. theta energy: -31.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -457.831263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.831263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.831263 (E_RNA)
where:
Base-Base interactions energy: -262.485
where: short stacking energy: -131.392
Base-Backbone interact. energy: -1.013
local terms energy: -194.333058
where:
bonds (distance) C4'-P energy: -49.268
bonds (distance) P-C4' energy: -46.112
flat angles C4'-P-C4' energy: -47.833
flat angles P-C4'-P energy: -32.872
tors. eta vs tors. theta energy: -18.248
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: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -412.299836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.299836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.299836 (E_RNA)
where:
Base-Base interactions energy: -260.107
where: short stacking energy: -125.535
Base-Backbone interact. energy: -0.371
local terms energy: -151.822074
where:
bonds (distance) C4'-P energy: -37.752
bonds (distance) P-C4' energy: -34.112
flat angles C4'-P-C4' energy: -36.896
flat angles P-C4'-P energy: -21.456
tors. eta vs tors. theta energy: -21.607
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: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -230.083803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.083803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.083803 (E_RNA)
where:
Base-Base interactions energy: -114.365
where: short stacking energy: -70.839
Base-Backbone interact. energy: -0.581
local terms energy: -115.136956
where:
bonds (distance) C4'-P energy: -34.732
bonds (distance) P-C4' energy: -45.932
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: 4.834
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: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -839.123873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.123873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.123873 (E_RNA)
where:
Base-Base interactions energy: -571.939
where: short stacking energy: -250.308
Base-Backbone interact. energy: -0.947
local terms energy: -266.237491
where:
bonds (distance) C4'-P energy: -49.937
bonds (distance) P-C4' energy: -46.543
flat angles C4'-P-C4' energy: -58.198
flat angles P-C4'-P energy: -37.200
tors. eta vs tors. theta energy: -74.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -813.276457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.276457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.276457 (E_RNA)
where:
Base-Base interactions energy: -576.746
where: short stacking energy: -232.998
Base-Backbone interact. energy: -0.923
local terms energy: -235.607491
where:
bonds (distance) C4'-P energy: -53.090
bonds (distance) P-C4' energy: -45.868
flat angles C4'-P-C4' energy: -53.324
flat angles P-C4'-P energy: -30.250
tors. eta vs tors. theta energy: -53.075
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: 6
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -739.797549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.797549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.797549 (E_RNA)
where:
Base-Base interactions energy: -504.426
where: short stacking energy: -227.159
Base-Backbone interact. energy: -0.642
local terms energy: -234.729835
where:
bonds (distance) C4'-P energy: -46.324
bonds (distance) P-C4' energy: -44.248
flat angles C4'-P-C4' energy: -48.319
flat angles P-C4'-P energy: -30.383
tors. eta vs tors. theta energy: -65.456
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: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -765.555002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.555002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.555002 (E_RNA)
where:
Base-Base interactions energy: -541.576
where: short stacking energy: -218.140
Base-Backbone interact. energy: -2.111
local terms energy: -221.867592
where:
bonds (distance) C4'-P energy: -44.520
bonds (distance) P-C4' energy: -35.621
flat angles C4'-P-C4' energy: -48.213
flat angles P-C4'-P energy: -35.399
tors. eta vs tors. theta energy: -58.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -709.519080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.519080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.519080 (E_RNA)
where:
Base-Base interactions energy: -492.913
where: short stacking energy: -214.277
Base-Backbone interact. energy: -0.197
local terms energy: -216.409269
where:
bonds (distance) C4'-P energy: -41.568
bonds (distance) P-C4' energy: -48.105
flat angles C4'-P-C4' energy: -40.273
flat angles P-C4'-P energy: -33.098
tors. eta vs tors. theta energy: -53.365
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: 9
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -611.673840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.673840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.673840 (E_RNA)
where:
Base-Base interactions energy: -414.110
where: short stacking energy: -174.985
Base-Backbone interact. energy: -0.203
local terms energy: -197.360768
where:
bonds (distance) C4'-P energy: -39.180
bonds (distance) P-C4' energy: -41.207
flat angles C4'-P-C4' energy: -36.836
flat angles P-C4'-P energy: -32.990
tors. eta vs tors. theta energy: -47.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -604.816607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.816607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.816607 (E_RNA)
where:
Base-Base interactions energy: -394.323
where: short stacking energy: -177.461
Base-Backbone interact. energy: -1.038
local terms energy: -209.455804
where:
bonds (distance) C4'-P energy: -43.938
bonds (distance) P-C4' energy: -37.814
flat angles C4'-P-C4' energy: -42.227
flat angles P-C4'-P energy: -41.711
tors. eta vs tors. theta energy: -43.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -461.324688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.324688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.324688 (E_RNA)
where:
Base-Base interactions energy: -302.618
where: short stacking energy: -133.235
Base-Backbone interact. energy: -0.134
local terms energy: -158.572301
where:
bonds (distance) C4'-P energy: -39.477
bonds (distance) P-C4' energy: -36.805
flat angles C4'-P-C4' energy: -41.787
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -21.891
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: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -407.996925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.996925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.996925 (E_RNA)
where:
Base-Base interactions energy: -248.078
where: short stacking energy: -107.278
Base-Backbone interact. energy: -0.472
local terms energy: -159.446838
where:
bonds (distance) C4'-P energy: -39.683
bonds (distance) P-C4' energy: -43.411
flat angles C4'-P-C4' energy: -37.777
flat angles P-C4'-P energy: -27.510
tors. eta vs tors. theta energy: -11.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -213.043436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.043436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.043436 (E_RNA)
where:
Base-Base interactions energy: -77.322
where: short stacking energy: -69.190
Base-Backbone interact. energy: -0.753
local terms energy: -134.968379
where:
bonds (distance) C4'-P energy: -37.951
bonds (distance) P-C4' energy: -48.578
flat angles C4'-P-C4' energy: -28.069
flat angles P-C4'-P energy: -26.630
tors. eta vs tors. theta energy: 6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -840.803726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.803726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.803726 (E_RNA)
where:
Base-Base interactions energy: -575.751
where: short stacking energy: -276.741
Base-Backbone interact. energy: 0.968
local terms energy: -266.020523
where:
bonds (distance) C4'-P energy: -52.583
bonds (distance) P-C4' energy: -45.001
flat angles C4'-P-C4' energy: -54.395
flat angles P-C4'-P energy: -33.784
tors. eta vs tors. theta energy: -80.257
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: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -818.290127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.290127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.290127 (E_RNA)
where:
Base-Base interactions energy: -573.921
where: short stacking energy: -228.774
Base-Backbone interact. energy: 1.010
local terms energy: -245.378308
where:
bonds (distance) C4'-P energy: -46.095
bonds (distance) P-C4' energy: -46.778
flat angles C4'-P-C4' energy: -59.270
flat angles P-C4'-P energy: -35.857
tors. eta vs tors. theta energy: -57.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -791.131213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.131213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.131213 (E_RNA)
where:
Base-Base interactions energy: -551.554
where: short stacking energy: -225.021
Base-Backbone interact. energy: -2.462
local terms energy: -237.114984
where:
bonds (distance) C4'-P energy: -47.588
bonds (distance) P-C4' energy: -45.972
flat angles C4'-P-C4' energy: -48.277
flat angles P-C4'-P energy: -35.256
tors. eta vs tors. theta energy: -60.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -710.107783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.107783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.107783 (E_RNA)
where:
Base-Base interactions energy: -479.191
where: short stacking energy: -234.394
Base-Backbone interact. energy: -1.756
local terms energy: -229.161295
where:
bonds (distance) C4'-P energy: -43.461
bonds (distance) P-C4' energy: -45.991
flat angles C4'-P-C4' energy: -49.402
flat angles P-C4'-P energy: -24.772
tors. eta vs tors. theta energy: -65.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -696.631044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.631044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.631044 (E_RNA)
where:
Base-Base interactions energy: -476.289
where: short stacking energy: -201.603
Base-Backbone interact. energy: -3.003
local terms energy: -217.338238
where:
bonds (distance) C4'-P energy: -44.900
bonds (distance) P-C4' energy: -47.009
flat angles C4'-P-C4' energy: -42.672
flat angles P-C4'-P energy: -34.096
tors. eta vs tors. theta energy: -48.662
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: 9
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -608.837742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.837742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.837742 (E_RNA)
where:
Base-Base interactions energy: -407.660
where: short stacking energy: -181.472
Base-Backbone interact. energy: 0.974
local terms energy: -202.151180
where:
bonds (distance) C4'-P energy: -43.275
bonds (distance) P-C4' energy: -41.999
flat angles C4'-P-C4' energy: -42.691
flat angles P-C4'-P energy: -29.255
tors. eta vs tors. theta energy: -44.931
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: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -454.134422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.134422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.134422 (E_RNA)
where:
Base-Base interactions energy: -270.230
where: short stacking energy: -146.746
Base-Backbone interact. energy: -0.035
local terms energy: -183.869104
where:
bonds (distance) C4'-P energy: -48.940
bonds (distance) P-C4' energy: -40.948
flat angles C4'-P-C4' energy: -41.859
flat angles P-C4'-P energy: -27.401
tors. eta vs tors. theta energy: -24.721
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: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -525.439367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.439367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.439367 (E_RNA)
where:
Base-Base interactions energy: -354.935
where: short stacking energy: -159.217
Base-Backbone interact. energy: -0.483
local terms energy: -170.020990
where:
bonds (distance) C4'-P energy: -33.455
bonds (distance) P-C4' energy: -38.166
flat angles C4'-P-C4' energy: -33.708
flat angles P-C4'-P energy: -27.306
tors. eta vs tors. theta energy: -37.387
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: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -409.901801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.901801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.901801 (E_RNA)
where:
Base-Base interactions energy: -245.264
where: short stacking energy: -133.052
Base-Backbone interact. energy: 3.978
local terms energy: -168.615054
where:
bonds (distance) C4'-P energy: -39.381
bonds (distance) P-C4' energy: -43.792
flat angles C4'-P-C4' energy: -32.531
flat angles P-C4'-P energy: -23.298
tors. eta vs tors. theta energy: -29.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -215.310561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.310561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.310561 (E_RNA)
where:
Base-Base interactions energy: -66.774
where: short stacking energy: -51.347
Base-Backbone interact. energy: -1.076
local terms energy: -147.460965
where:
bonds (distance) C4'-P energy: -34.551
bonds (distance) P-C4' energy: -44.662
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -33.712
tors. eta vs tors. theta energy: 0.287
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: 109
Temperature: 0.900000
Total energy: -857.786455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.786455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.786455 (E_RNA)
where:
Base-Base interactions energy: -583.201
where: short stacking energy: -285.239
Base-Backbone interact. energy: 0.748
local terms energy: -275.333392
where:
bonds (distance) C4'-P energy: -44.761
bonds (distance) P-C4' energy: -51.255
flat angles C4'-P-C4' energy: -57.929
flat angles P-C4'-P energy: -37.255
tors. eta vs tors. theta energy: -84.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -786.294183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.294183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.294183 (E_RNA)
where:
Base-Base interactions energy: -546.357
where: short stacking energy: -223.925
Base-Backbone interact. energy: -1.581
local terms energy: -238.356489
where:
bonds (distance) C4'-P energy: -48.483
bonds (distance) P-C4' energy: -45.274
flat angles C4'-P-C4' energy: -54.396
flat angles P-C4'-P energy: -35.695
tors. eta vs tors. theta energy: -54.509
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: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -789.551936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.551936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.551936 (E_RNA)
where:
Base-Base interactions energy: -543.858
where: short stacking energy: -239.128
Base-Backbone interact. energy: -0.576
local terms energy: -245.117837
where:
bonds (distance) C4'-P energy: -45.703
bonds (distance) P-C4' energy: -50.176
flat angles C4'-P-C4' energy: -48.349
flat angles P-C4'-P energy: -37.622
tors. eta vs tors. theta energy: -63.268
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: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -735.608261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.608261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.608261 (E_RNA)
where:
Base-Base interactions energy: -494.303
where: short stacking energy: -233.524
Base-Backbone interact. energy: 1.106
local terms energy: -242.411020
where:
bonds (distance) C4'-P energy: -42.201
bonds (distance) P-C4' energy: -47.093
flat angles C4'-P-C4' energy: -56.649
flat angles P-C4'-P energy: -35.309
tors. eta vs tors. theta energy: -61.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -723.928275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.928275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.928275 (E_RNA)
where:
Base-Base interactions energy: -497.921
where: short stacking energy: -197.916
Base-Backbone interact. energy: -0.321
local terms energy: -225.686530
where:
bonds (distance) C4'-P energy: -36.415
bonds (distance) P-C4' energy: -51.642
flat angles C4'-P-C4' energy: -45.631
flat angles P-C4'-P energy: -34.645
tors. eta vs tors. theta energy: -57.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -611.675304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.675304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.675304 (E_RNA)
where:
Base-Base interactions energy: -400.029
where: short stacking energy: -180.720
Base-Backbone interact. energy: -1.907
local terms energy: -209.738955
where:
bonds (distance) C4'-P energy: -39.407
bonds (distance) P-C4' energy: -48.541
flat angles C4'-P-C4' energy: -51.992
flat angles P-C4'-P energy: -26.608
tors. eta vs tors. theta energy: -43.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -457.569304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.569304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.569304 (E_RNA)
where:
Base-Base interactions energy: -285.342
where: short stacking energy: -139.725
Base-Backbone interact. energy: 0.240
local terms energy: -172.467113
where:
bonds (distance) C4'-P energy: -34.713
bonds (distance) P-C4' energy: -41.020
flat angles C4'-P-C4' energy: -41.179
flat angles P-C4'-P energy: -28.355
tors. eta vs tors. theta energy: -27.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -536.110553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.110553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.110553 (E_RNA)
where:
Base-Base interactions energy: -361.697
where: short stacking energy: -165.875
Base-Backbone interact. energy: -1.468
local terms energy: -172.946112
where:
bonds (distance) C4'-P energy: -38.811
bonds (distance) P-C4' energy: -39.785
flat angles C4'-P-C4' energy: -29.554
flat angles P-C4'-P energy: -26.138
tors. eta vs tors. theta energy: -38.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -406.768869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.768869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.768869 (E_RNA)
where:
Base-Base interactions energy: -265.081
where: short stacking energy: -122.032
Base-Backbone interact. energy: -1.257
local terms energy: -140.431335
where:
bonds (distance) C4'-P energy: -33.444
bonds (distance) P-C4' energy: -41.303
flat angles C4'-P-C4' energy: -38.161
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: -6.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -228.559643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.559643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.559643 (E_RNA)
where:
Base-Base interactions energy: -76.081
where: short stacking energy: -72.156
Base-Backbone interact. energy: 1.057
local terms energy: -153.536167
where:
bonds (distance) C4'-P energy: -38.588
bonds (distance) P-C4' energy: -47.516
flat angles C4'-P-C4' energy: -35.167
flat angles P-C4'-P energy: -28.824
tors. eta vs tors. theta energy: -3.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -832.898298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.898298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.898298 (E_RNA)
where:
Base-Base interactions energy: -556.564
where: short stacking energy: -253.123
Base-Backbone interact. energy: -3.521
local terms energy: -272.812955
where:
bonds (distance) C4'-P energy: -51.788
bonds (distance) P-C4' energy: -51.763
flat angles C4'-P-C4' energy: -59.232
flat angles P-C4'-P energy: -35.621
tors. eta vs tors. theta energy: -74.410
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: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -783.212506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.212506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.212506 (E_RNA)
where:
Base-Base interactions energy: -543.489
where: short stacking energy: -227.311
Base-Backbone interact. energy: -3.284
local terms energy: -236.439724
where:
bonds (distance) C4'-P energy: -44.425
bonds (distance) P-C4' energy: -54.823
flat angles C4'-P-C4' energy: -48.543
flat angles P-C4'-P energy: -36.309
tors. eta vs tors. theta energy: -52.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -765.142555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.142555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.142555 (E_RNA)
where:
Base-Base interactions energy: -512.112
where: short stacking energy: -233.845
Base-Backbone interact. energy: 0.280
local terms energy: -253.310831
where:
bonds (distance) C4'-P energy: -49.141
bonds (distance) P-C4' energy: -41.354
flat angles C4'-P-C4' energy: -55.174
flat angles P-C4'-P energy: -36.813
tors. eta vs tors. theta energy: -70.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -727.145815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.145815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.145815 (E_RNA)
where:
Base-Base interactions energy: -489.063
where: short stacking energy: -227.774
Base-Backbone interact. energy: 1.522
local terms energy: -239.604491
where:
bonds (distance) C4'-P energy: -39.571
bonds (distance) P-C4' energy: -51.883
flat angles C4'-P-C4' energy: -50.629
flat angles P-C4'-P energy: -36.312
tors. eta vs tors. theta energy: -61.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -707.807657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.807657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.807657 (E_RNA)
where:
Base-Base interactions energy: -506.187
where: short stacking energy: -203.121
Base-Backbone interact. energy: -1.875
local terms energy: -199.746149
where:
bonds (distance) C4'-P energy: -31.801
bonds (distance) P-C4' energy: -33.189
flat angles C4'-P-C4' energy: -46.191
flat angles P-C4'-P energy: -31.182
tors. eta vs tors. theta energy: -57.383
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: 9
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -586.134415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.134415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.134415 (E_RNA)
where:
Base-Base interactions energy: -375.258
where: short stacking energy: -164.906
Base-Backbone interact. energy: -0.604
local terms energy: -210.272793
where:
bonds (distance) C4'-P energy: -41.428
bonds (distance) P-C4' energy: -51.385
flat angles C4'-P-C4' energy: -44.848
flat angles P-C4'-P energy: -31.224
tors. eta vs tors. theta energy: -41.387
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: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -510.998969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.998969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.998969 (E_RNA)
where:
Base-Base interactions energy: -327.090
where: short stacking energy: -167.880
Base-Backbone interact. energy: -0.336
local terms energy: -183.572223
where:
bonds (distance) C4'-P energy: -42.686
bonds (distance) P-C4' energy: -36.452
flat angles C4'-P-C4' energy: -43.993
flat angles P-C4'-P energy: -28.749
tors. eta vs tors. theta energy: -31.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -457.324229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.324229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.324229 (E_RNA)
where:
Base-Base interactions energy: -268.281
where: short stacking energy: -148.336
Base-Backbone interact. energy: -0.743
local terms energy: -188.300293
where:
bonds (distance) C4'-P energy: -41.907
bonds (distance) P-C4' energy: -48.158
flat angles C4'-P-C4' energy: -40.579
flat angles P-C4'-P energy: -22.675
tors. eta vs tors. theta energy: -34.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -377.593193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.593193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.593193 (E_RNA)
where:
Base-Base interactions energy: -236.708
where: short stacking energy: -101.964
Base-Backbone interact. energy: -0.242
local terms energy: -140.643100
where:
bonds (distance) C4'-P energy: -37.844
bonds (distance) P-C4' energy: -43.849
flat angles C4'-P-C4' energy: -30.541
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -229.760595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.760595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.760595 (E_RNA)
where:
Base-Base interactions energy: -71.381
where: short stacking energy: -44.759
Base-Backbone interact. energy: 0.524
local terms energy: -158.903493
where:
bonds (distance) C4'-P energy: -38.729
bonds (distance) P-C4' energy: -47.574
flat angles C4'-P-C4' energy: -48.371
flat angles P-C4'-P energy: -35.364
tors. eta vs tors. theta energy: 11.134
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: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -838.162770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.162770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.162770 (E_RNA)
where:
Base-Base interactions energy: -561.123
where: short stacking energy: -248.952
Base-Backbone interact. energy: -0.721
local terms energy: -276.318774
where:
bonds (distance) C4'-P energy: -50.495
bonds (distance) P-C4' energy: -50.105
flat angles C4'-P-C4' energy: -57.560
flat angles P-C4'-P energy: -40.068
tors. eta vs tors. theta energy: -78.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -782.303991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.303991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.303991 (E_RNA)
where:
Base-Base interactions energy: -539.683
where: short stacking energy: -233.574
Base-Backbone interact. energy: -1.126
local terms energy: -241.495205
where:
bonds (distance) C4'-P energy: -47.342
bonds (distance) P-C4' energy: -49.211
flat angles C4'-P-C4' energy: -50.790
flat angles P-C4'-P energy: -38.134
tors. eta vs tors. theta energy: -56.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -747.848286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.848286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.848286 (E_RNA)
where:
Base-Base interactions energy: -518.340
where: short stacking energy: -229.684
Base-Backbone interact. energy: -1.123
local terms energy: -228.385123
where:
bonds (distance) C4'-P energy: -40.282
bonds (distance) P-C4' energy: -48.673
flat angles C4'-P-C4' energy: -44.510
flat angles P-C4'-P energy: -35.873
tors. eta vs tors. theta energy: -59.047
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: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -739.718164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.718164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.718164 (E_RNA)
where:
Base-Base interactions energy: -520.769
where: short stacking energy: -204.989
Base-Backbone interact. energy: 0.243
local terms energy: -219.191631
where:
bonds (distance) C4'-P energy: -42.452
bonds (distance) P-C4' energy: -43.674
flat angles C4'-P-C4' energy: -47.791
flat angles P-C4'-P energy: -30.902
tors. eta vs tors. theta energy: -54.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -707.168091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.168091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.168091 (E_RNA)
where:
Base-Base interactions energy: -466.067
where: short stacking energy: -223.385
Base-Backbone interact. energy: -0.686
local terms energy: -240.414671
where:
bonds (distance) C4'-P energy: -49.370
bonds (distance) P-C4' energy: -53.849
flat angles C4'-P-C4' energy: -51.721
flat angles P-C4'-P energy: -33.239
tors. eta vs tors. theta energy: -52.236
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: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -584.559500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.559500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.559500 (E_RNA)
where:
Base-Base interactions energy: -369.689
where: short stacking energy: -171.007
Base-Backbone interact. energy: 0.640
local terms energy: -215.510445
where:
bonds (distance) C4'-P energy: -40.068
bonds (distance) P-C4' energy: -48.032
flat angles C4'-P-C4' energy: -52.648
flat angles P-C4'-P energy: -33.775
tors. eta vs tors. theta energy: -40.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -470.942398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.942398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.942398 (E_RNA)
where:
Base-Base interactions energy: -273.763
where: short stacking energy: -126.799
Base-Backbone interact. energy: -1.285
local terms energy: -195.893849
where:
bonds (distance) C4'-P energy: -45.147
bonds (distance) P-C4' energy: -52.844
flat angles C4'-P-C4' energy: -29.549
flat angles P-C4'-P energy: -34.344
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: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -436.428070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.428070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.428070 (E_RNA)
where:
Base-Base interactions energy: -278.482
where: short stacking energy: -142.304
Base-Backbone interact. energy: -0.814
local terms energy: -157.132478
where:
bonds (distance) C4'-P energy: -34.009
bonds (distance) P-C4' energy: -39.183
flat angles C4'-P-C4' energy: -29.697
flat angles P-C4'-P energy: -25.989
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: 9, replica: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -361.865750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.865750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.865750 (E_RNA)
where:
Base-Base interactions energy: -207.471
where: short stacking energy: -102.326
Base-Backbone interact. energy: -0.055
local terms energy: -154.339087
where:
bonds (distance) C4'-P energy: -36.600
bonds (distance) P-C4' energy: -45.229
flat angles C4'-P-C4' energy: -32.517
flat angles P-C4'-P energy: -29.331
tors. eta vs tors. theta energy: -10.662
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: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -227.078969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.078969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.078969 (E_RNA)
where:
Base-Base interactions energy: -96.959
where: short stacking energy: -77.087
Base-Backbone interact. energy: 2.963
local terms energy: -133.082881
where:
bonds (distance) C4'-P energy: -43.450
bonds (distance) P-C4' energy: -37.139
flat angles C4'-P-C4' energy: -29.445
flat angles P-C4'-P energy: -19.150
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -846.857836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.857836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.857836 (E_RNA)
where:
Base-Base interactions energy: -588.350
where: short stacking energy: -260.591
Base-Backbone interact. energy: -1.136
local terms energy: -257.371329
where:
bonds (distance) C4'-P energy: -53.410
bonds (distance) P-C4' energy: -50.495
flat angles C4'-P-C4' energy: -50.385
flat angles P-C4'-P energy: -32.385
tors. eta vs tors. theta energy: -70.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -805.303777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.303777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.303777 (E_RNA)
where:
Base-Base interactions energy: -557.493
where: short stacking energy: -253.336
Base-Backbone interact. energy: -1.951
local terms energy: -245.858897
where:
bonds (distance) C4'-P energy: -46.944
bonds (distance) P-C4' energy: -47.024
flat angles C4'-P-C4' energy: -54.596
flat angles P-C4'-P energy: -34.350
tors. eta vs tors. theta energy: -62.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -766.870870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.870870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.870870 (E_RNA)
where:
Base-Base interactions energy: -542.292
where: short stacking energy: -236.206
Base-Backbone interact. energy: 0.266
local terms energy: -224.844876
where:
bonds (distance) C4'-P energy: -44.356
bonds (distance) P-C4' energy: -38.463
flat angles C4'-P-C4' energy: -49.436
flat angles P-C4'-P energy: -30.775
tors. eta vs tors. theta energy: -61.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -707.489857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.489857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.489857 (E_RNA)
where:
Base-Base interactions energy: -495.808
where: short stacking energy: -198.367
Base-Backbone interact. energy: 0.173
local terms energy: -211.854580
where:
bonds (distance) C4'-P energy: -43.784
bonds (distance) P-C4' energy: -43.419
flat angles C4'-P-C4' energy: -39.408
flat angles P-C4'-P energy: -35.288
tors. eta vs tors. theta energy: -49.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -669.313505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.313505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.313505 (E_RNA)
where:
Base-Base interactions energy: -450.902
where: short stacking energy: -212.578
Base-Backbone interact. energy: 0.744
local terms energy: -219.155364
where:
bonds (distance) C4'-P energy: -35.341
bonds (distance) P-C4' energy: -42.217
flat angles C4'-P-C4' energy: -54.895
flat angles P-C4'-P energy: -27.182
tors. eta vs tors. theta energy: -59.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -585.607128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.607128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.607128 (E_RNA)
where:
Base-Base interactions energy: -387.154
where: short stacking energy: -173.822
Base-Backbone interact. energy: -0.450
local terms energy: -198.002856
where:
bonds (distance) C4'-P energy: -35.966
bonds (distance) P-C4' energy: -49.575
flat angles C4'-P-C4' energy: -46.676
flat angles P-C4'-P energy: -24.651
tors. eta vs tors. theta energy: -41.135
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: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -450.786295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.786295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.786295 (E_RNA)
where:
Base-Base interactions energy: -282.027
where: short stacking energy: -142.619
Base-Backbone interact. energy: 1.493
local terms energy: -170.251944
where:
bonds (distance) C4'-P energy: -40.151
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -40.607
flat angles P-C4'-P energy: -29.706
tors. eta vs tors. theta energy: -32.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -448.110548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.110548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.110548 (E_RNA)
where:
Base-Base interactions energy: -255.754
where: short stacking energy: -147.600
Base-Backbone interact. energy: -1.546
local terms energy: -190.810473
where:
bonds (distance) C4'-P energy: -44.658
bonds (distance) P-C4' energy: -36.401
flat angles C4'-P-C4' energy: -48.363
flat angles P-C4'-P energy: -26.122
tors. eta vs tors. theta energy: -35.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -368.587462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.587462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.587462 (E_RNA)
where:
Base-Base interactions energy: -227.198
where: short stacking energy: -99.226
Base-Backbone interact. energy: 2.605
local terms energy: -143.994642
where:
bonds (distance) C4'-P energy: -30.859
bonds (distance) P-C4' energy: -44.832
flat angles C4'-P-C4' energy: -31.773
flat angles P-C4'-P energy: -31.982
tors. eta vs tors. theta energy: -4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -216.347620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.347620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.347620 (E_RNA)
where:
Base-Base interactions energy: -86.732
where: short stacking energy: -71.766
Base-Backbone interact. energy: -0.644
local terms energy: -128.971970
where:
bonds (distance) C4'-P energy: -39.809
bonds (distance) P-C4' energy: -50.861
flat angles C4'-P-C4' energy: -28.105
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: 7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -834.812911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.812911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.812911 (E_RNA)
where:
Base-Base interactions energy: -570.140
where: short stacking energy: -252.076
Base-Backbone interact. energy: -1.103
local terms energy: -263.570300
where:
bonds (distance) C4'-P energy: -53.734
bonds (distance) P-C4' energy: -43.140
flat angles C4'-P-C4' energy: -55.450
flat angles P-C4'-P energy: -39.733
tors. eta vs tors. theta energy: -71.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -784.092539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.092539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.092539 (E_RNA)
where:
Base-Base interactions energy: -559.824
where: short stacking energy: -244.050
Base-Backbone interact. energy: 1.815
local terms energy: -226.083670
where:
bonds (distance) C4'-P energy: -44.703
bonds (distance) P-C4' energy: -36.425
flat angles C4'-P-C4' energy: -57.569
flat angles P-C4'-P energy: -31.267
tors. eta vs tors. theta energy: -56.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -775.010185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.010185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.010185 (E_RNA)
where:
Base-Base interactions energy: -539.848
where: short stacking energy: -223.906
Base-Backbone interact. energy: -2.135
local terms energy: -233.027090
where:
bonds (distance) C4'-P energy: -41.568
bonds (distance) P-C4' energy: -49.471
flat angles C4'-P-C4' energy: -52.175
flat angles P-C4'-P energy: -34.936
tors. eta vs tors. theta energy: -54.878
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: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -737.085853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.085853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.085853 (E_RNA)
where:
Base-Base interactions energy: -501.188
where: short stacking energy: -213.233
Base-Backbone interact. energy: -1.528
local terms energy: -234.369966
where:
bonds (distance) C4'-P energy: -39.453
bonds (distance) P-C4' energy: -51.630
flat angles C4'-P-C4' energy: -51.042
flat angles P-C4'-P energy: -33.432
tors. eta vs tors. theta energy: -58.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -668.640248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.640248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.640248 (E_RNA)
where:
Base-Base interactions energy: -445.883
where: short stacking energy: -201.148
Base-Backbone interact. energy: 1.474
local terms energy: -224.230916
where:
bonds (distance) C4'-P energy: -45.189
bonds (distance) P-C4' energy: -46.450
flat angles C4'-P-C4' energy: -41.704
flat angles P-C4'-P energy: -35.937
tors. eta vs tors. theta energy: -54.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -601.084031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.084031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.084031 (E_RNA)
where:
Base-Base interactions energy: -385.943
where: short stacking energy: -189.628
Base-Backbone interact. energy: -0.451
local terms energy: -214.690186
where:
bonds (distance) C4'-P energy: -37.055
bonds (distance) P-C4' energy: -43.396
flat angles C4'-P-C4' energy: -54.090
flat angles P-C4'-P energy: -34.519
tors. eta vs tors. theta energy: -45.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -455.804574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.804574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.804574 (E_RNA)
where:
Base-Base interactions energy: -273.970
where: short stacking energy: -148.679
Base-Backbone interact. energy: -0.568
local terms energy: -181.266142
where:
bonds (distance) C4'-P energy: -38.157
bonds (distance) P-C4' energy: -47.021
flat angles C4'-P-C4' energy: -41.458
flat angles P-C4'-P energy: -30.799
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: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -448.915218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.915218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.915218 (E_RNA)
where:
Base-Base interactions energy: -290.954
where: short stacking energy: -146.930
Base-Backbone interact. energy: 1.172
local terms energy: -159.132877
where:
bonds (distance) C4'-P energy: -32.633
bonds (distance) P-C4' energy: -37.697
flat angles C4'-P-C4' energy: -40.994
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -28.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -412.113188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.113188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.113188 (E_RNA)
where:
Base-Base interactions energy: -244.699
where: short stacking energy: -113.024
Base-Backbone interact. energy: -0.236
local terms energy: -167.178128
where:
bonds (distance) C4'-P energy: -33.430
bonds (distance) P-C4' energy: -45.421
flat angles C4'-P-C4' energy: -41.798
flat angles P-C4'-P energy: -26.494
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -244.439141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.439141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.439141 (E_RNA)
where:
Base-Base interactions energy: -104.380
where: short stacking energy: -66.609
Base-Backbone interact. energy: 0.223
local terms energy: -140.282611
where:
bonds (distance) C4'-P energy: -40.310
bonds (distance) P-C4' energy: -45.320
flat angles C4'-P-C4' energy: -35.912
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -851.210196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.210196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.210196 (E_RNA)
where:
Base-Base interactions energy: -573.713
where: short stacking energy: -268.406
Base-Backbone interact. energy: -0.747
local terms energy: -276.750521
where:
bonds (distance) C4'-P energy: -45.162
bonds (distance) P-C4' energy: -47.973
flat angles C4'-P-C4' energy: -58.063
flat angles P-C4'-P energy: -45.651
tors. eta vs tors. theta energy: -79.901
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: 114
Temperature: 0.950000
Total energy: -782.813233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.813233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.813233 (E_RNA)
where:
Base-Base interactions energy: -549.379
where: short stacking energy: -227.521
Base-Backbone interact. energy: -0.395
local terms energy: -233.038495
where:
bonds (distance) C4'-P energy: -46.910
bonds (distance) P-C4' energy: -46.570
flat angles C4'-P-C4' energy: -52.860
flat angles P-C4'-P energy: -31.229
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: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -735.694965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.694965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.694965 (E_RNA)
where:
Base-Base interactions energy: -510.966
where: short stacking energy: -220.163
Base-Backbone interact. energy: -2.368
local terms energy: -222.360852
where:
bonds (distance) C4'-P energy: -36.598
bonds (distance) P-C4' energy: -52.324
flat angles C4'-P-C4' energy: -48.962
flat angles P-C4'-P energy: -27.546
tors. eta vs tors. theta energy: -56.931
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: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -736.455236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.455236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.455236 (E_RNA)
where:
Base-Base interactions energy: -513.870
where: short stacking energy: -200.193
Base-Backbone interact. energy: 0.097
local terms energy: -222.682912
where:
bonds (distance) C4'-P energy: -42.800
bonds (distance) P-C4' energy: -43.647
flat angles C4'-P-C4' energy: -48.545
flat angles P-C4'-P energy: -35.966
tors. eta vs tors. theta energy: -51.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -675.934603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.934603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.934603 (E_RNA)
where:
Base-Base interactions energy: -463.091
where: short stacking energy: -207.588
Base-Backbone interact. energy: 2.189
local terms energy: -215.032876
where:
bonds (distance) C4'-P energy: -34.820
bonds (distance) P-C4' energy: -49.309
flat angles C4'-P-C4' energy: -45.603
flat angles P-C4'-P energy: -28.998
tors. eta vs tors. theta energy: -56.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -583.073904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.073904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.073904 (E_RNA)
where:
Base-Base interactions energy: -397.300
where: short stacking energy: -194.999
Base-Backbone interact. energy: -0.864
local terms energy: -184.909387
where:
bonds (distance) C4'-P energy: -34.120
bonds (distance) P-C4' energy: -45.415
flat angles C4'-P-C4' energy: -46.825
flat angles P-C4'-P energy: -25.121
tors. eta vs tors. theta energy: -33.429
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: 7, replica: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -523.151765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.151765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.151765 (E_RNA)
where:
Base-Base interactions energy: -328.527
where: short stacking energy: -157.679
Base-Backbone interact. energy: -1.242
local terms energy: -193.382808
where:
bonds (distance) C4'-P energy: -53.959
bonds (distance) P-C4' energy: -32.428
flat angles C4'-P-C4' energy: -44.798
flat angles P-C4'-P energy: -23.865
tors. eta vs tors. theta energy: -38.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -445.095623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.095623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.095623 (E_RNA)
where:
Base-Base interactions energy: -282.930
where: short stacking energy: -141.103
Base-Backbone interact. energy: 0.929
local terms energy: -163.094620
where:
bonds (distance) C4'-P energy: -42.912
bonds (distance) P-C4' energy: -35.687
flat angles C4'-P-C4' energy: -35.427
flat angles P-C4'-P energy: -16.915
tors. eta vs tors. theta energy: -32.154
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: 9, replica: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -395.637727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.637727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.637727 (E_RNA)
where:
Base-Base interactions energy: -235.238
where: short stacking energy: -127.289
Base-Backbone interact. energy: 1.331
local terms energy: -161.730611
where:
bonds (distance) C4'-P energy: -46.665
bonds (distance) P-C4' energy: -39.882
flat angles C4'-P-C4' energy: -29.877
flat angles P-C4'-P energy: -29.495
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -250.657977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.657977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.657977 (E_RNA)
where:
Base-Base interactions energy: -115.316
where: short stacking energy: -80.227
Base-Backbone interact. energy: -0.595
local terms energy: -134.747427
where:
bonds (distance) C4'-P energy: -41.394
bonds (distance) P-C4' energy: -43.341
flat angles C4'-P-C4' energy: -30.761
flat angles P-C4'-P energy: -25.696
tors. eta vs tors. theta energy: 6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -836.221814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.221814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.221814 (E_RNA)
where:
Base-Base interactions energy: -557.351
where: short stacking energy: -268.119
Base-Backbone interact. energy: -1.581
local terms energy: -277.290312
where:
bonds (distance) C4'-P energy: -49.035
bonds (distance) P-C4' energy: -50.743
flat angles C4'-P-C4' energy: -58.981
flat angles P-C4'-P energy: -38.401
tors. eta vs tors. theta energy: -80.130
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: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -781.180591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.180591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.180591 (E_RNA)
where:
Base-Base interactions energy: -530.066
where: short stacking energy: -224.610
Base-Backbone interact. energy: -1.894
local terms energy: -249.221148
where:
bonds (distance) C4'-P energy: -52.783
bonds (distance) P-C4' energy: -48.443
flat angles C4'-P-C4' energy: -54.081
flat angles P-C4'-P energy: -31.811
tors. eta vs tors. theta energy: -62.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -755.510883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.510883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.510883 (E_RNA)
where:
Base-Base interactions energy: -507.456
where: short stacking energy: -217.803
Base-Backbone interact. energy: -1.860
local terms energy: -246.194521
where:
bonds (distance) C4'-P energy: -50.528
bonds (distance) P-C4' energy: -48.222
flat angles C4'-P-C4' energy: -51.006
flat angles P-C4'-P energy: -36.211
tors. eta vs tors. theta energy: -60.227
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: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -753.937154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.937154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.937154 (E_RNA)
where:
Base-Base interactions energy: -529.644
where: short stacking energy: -194.884
Base-Backbone interact. energy: -0.214
local terms energy: -224.079068
where:
bonds (distance) C4'-P energy: -50.454
bonds (distance) P-C4' energy: -49.700
flat angles C4'-P-C4' energy: -45.384
flat angles P-C4'-P energy: -34.462
tors. eta vs tors. theta energy: -44.079
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: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -648.097607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.097607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.097607 (E_RNA)
where:
Base-Base interactions energy: -438.754
where: short stacking energy: -218.544
Base-Backbone interact. energy: -0.783
local terms energy: -208.561050
where:
bonds (distance) C4'-P energy: -44.556
bonds (distance) P-C4' energy: -35.382
flat angles C4'-P-C4' energy: -46.386
flat angles P-C4'-P energy: -31.777
tors. eta vs tors. theta energy: -50.460
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: 115
Temperature: 1.150000
Total energy: -553.543353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.543353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.543353 (E_RNA)
where:
Base-Base interactions energy: -348.891
where: short stacking energy: -155.827
Base-Backbone interact. energy: 0.801
local terms energy: -205.454074
where:
bonds (distance) C4'-P energy: -47.451
bonds (distance) P-C4' energy: -42.023
flat angles C4'-P-C4' energy: -45.960
flat angles P-C4'-P energy: -32.652
tors. eta vs tors. theta energy: -37.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -582.416135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.416135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.416135 (E_RNA)
where:
Base-Base interactions energy: -384.382
where: short stacking energy: -171.517
Base-Backbone interact. energy: -0.340
local terms energy: -197.693893
where:
bonds (distance) C4'-P energy: -42.087
bonds (distance) P-C4' energy: -41.756
flat angles C4'-P-C4' energy: -46.171
flat angles P-C4'-P energy: -33.551
tors. eta vs tors. theta energy: -34.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -452.948922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.948922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.948922 (E_RNA)
where:
Base-Base interactions energy: -282.752
where: short stacking energy: -126.375
Base-Backbone interact. energy: -1.192
local terms energy: -169.004502
where:
bonds (distance) C4'-P energy: -42.259
bonds (distance) P-C4' energy: -38.218
flat angles C4'-P-C4' energy: -43.657
flat angles P-C4'-P energy: -27.254
tors. eta vs tors. theta energy: -17.617
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: 9, replica: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -403.029877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.029877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.029877 (E_RNA)
where:
Base-Base interactions energy: -258.858
where: short stacking energy: -111.571
Base-Backbone interact. energy: -1.137
local terms energy: -143.035045
where:
bonds (distance) C4'-P energy: -34.901
bonds (distance) P-C4' energy: -42.227
flat angles C4'-P-C4' energy: -29.043
flat angles P-C4'-P energy: -20.102
tors. eta vs tors. theta energy: -16.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -202.548164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.548164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.548164 (E_RNA)
where:
Base-Base interactions energy: -84.337
where: short stacking energy: -56.913
Base-Backbone interact. energy: -0.255
local terms energy: -117.956179
where:
bonds (distance) C4'-P energy: -36.659
bonds (distance) P-C4' energy: -50.420
flat angles C4'-P-C4' energy: -29.927
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: 8.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -803.490812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.490812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.490812 (E_RNA)
where:
Base-Base interactions energy: -557.130
where: short stacking energy: -243.990
Base-Backbone interact. energy: -1.235
local terms energy: -245.125831
where:
bonds (distance) C4'-P energy: -49.547
bonds (distance) P-C4' energy: -47.137
flat angles C4'-P-C4' energy: -56.042
flat angles P-C4'-P energy: -29.144
tors. eta vs tors. theta energy: -63.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -819.796183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.796183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.796183 (E_RNA)
where:
Base-Base interactions energy: -551.809
where: short stacking energy: -254.387
Base-Backbone interact. energy: -0.815
local terms energy: -267.172399
where:
bonds (distance) C4'-P energy: -44.529
bonds (distance) P-C4' energy: -50.717
flat angles C4'-P-C4' energy: -58.142
flat angles P-C4'-P energy: -34.020
tors. eta vs tors. theta energy: -79.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -762.348727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.348727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.348727 (E_RNA)
where:
Base-Base interactions energy: -554.973
where: short stacking energy: -205.410
Base-Backbone interact. energy: -0.169
local terms energy: -207.206479
where:
bonds (distance) C4'-P energy: -37.963
bonds (distance) P-C4' energy: -40.687
flat angles C4'-P-C4' energy: -52.394
flat angles P-C4'-P energy: -31.938
tors. eta vs tors. theta energy: -44.224
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: 5
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -743.209924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.209924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.209924 (E_RNA)
where:
Base-Base interactions energy: -511.848
where: short stacking energy: -204.158
Base-Backbone interact. energy: -3.223
local terms energy: -228.139403
where:
bonds (distance) C4'-P energy: -43.296
bonds (distance) P-C4' energy: -43.928
flat angles C4'-P-C4' energy: -53.314
flat angles P-C4'-P energy: -40.149
tors. eta vs tors. theta energy: -47.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -660.070438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.070438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.070438 (E_RNA)
where:
Base-Base interactions energy: -430.629
where: short stacking energy: -197.719
Base-Backbone interact. energy: -0.537
local terms energy: -228.905312
where:
bonds (distance) C4'-P energy: -44.771
bonds (distance) P-C4' energy: -46.488
flat angles C4'-P-C4' energy: -42.444
flat angles P-C4'-P energy: -37.039
tors. eta vs tors. theta energy: -58.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -519.874381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.874381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.874381 (E_RNA)
where:
Base-Base interactions energy: -328.128
where: short stacking energy: -150.494
Base-Backbone interact. energy: 0.093
local terms energy: -191.839428
where:
bonds (distance) C4'-P energy: -40.598
bonds (distance) P-C4' energy: -39.034
flat angles C4'-P-C4' energy: -51.391
flat angles P-C4'-P energy: -26.649
tors. eta vs tors. theta energy: -34.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -546.133806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.133806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.133806 (E_RNA)
where:
Base-Base interactions energy: -356.728
where: short stacking energy: -169.474
Base-Backbone interact. energy: 0.146
local terms energy: -189.551877
where:
bonds (distance) C4'-P energy: -43.955
bonds (distance) P-C4' energy: -42.307
flat angles C4'-P-C4' energy: -44.021
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -38.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -430.859981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.859981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.859981 (E_RNA)
where:
Base-Base interactions energy: -262.753
where: short stacking energy: -121.925
Base-Backbone interact. energy: -1.081
local terms energy: -167.025641
where:
bonds (distance) C4'-P energy: -37.104
bonds (distance) P-C4' energy: -38.168
flat angles C4'-P-C4' energy: -46.789
flat angles P-C4'-P energy: -25.280
tors. eta vs tors. theta energy: -19.685
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: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -362.905939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.905939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.905939 (E_RNA)
where:
Base-Base interactions energy: -195.913
where: short stacking energy: -115.992
Base-Backbone interact. energy: -1.169
local terms energy: -165.823925
where:
bonds (distance) C4'-P energy: -32.347
bonds (distance) P-C4' energy: -48.366
flat angles C4'-P-C4' energy: -38.456
flat angles P-C4'-P energy: -28.776
tors. eta vs tors. theta energy: -17.879
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: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -249.007290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.007290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.007290 (E_RNA)
where:
Base-Base interactions energy: -111.380
where: short stacking energy: -102.215
Base-Backbone interact. energy: -0.819
local terms energy: -136.808864
where:
bonds (distance) C4'-P energy: -45.969
bonds (distance) P-C4' energy: -43.609
flat angles C4'-P-C4' energy: -24.985
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -813.572945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.572945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.572945 (E_RNA)
where:
Base-Base interactions energy: -568.733
where: short stacking energy: -246.675
Base-Backbone interact. energy: -1.062
local terms energy: -243.778379
where:
bonds (distance) C4'-P energy: -43.997
bonds (distance) P-C4' energy: -51.682
flat angles C4'-P-C4' energy: -49.867
flat angles P-C4'-P energy: -33.777
tors. eta vs tors. theta energy: -64.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -829.665603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.665603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.665603 (E_RNA)
where:
Base-Base interactions energy: -575.835
where: short stacking energy: -276.500
Base-Backbone interact. energy: -0.143
local terms energy: -253.687677
where:
bonds (distance) C4'-P energy: -47.086
bonds (distance) P-C4' energy: -41.338
flat angles C4'-P-C4' energy: -48.493
flat angles P-C4'-P energy: -37.187
tors. eta vs tors. theta energy: -79.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -769.581949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.581949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.581949 (E_RNA)
where:
Base-Base interactions energy: -559.191
where: short stacking energy: -195.741
Base-Backbone interact. energy: 0.421
local terms energy: -210.812666
where:
bonds (distance) C4'-P energy: -39.841
bonds (distance) P-C4' energy: -41.432
flat angles C4'-P-C4' energy: -50.560
flat angles P-C4'-P energy: -28.453
tors. eta vs tors. theta energy: -50.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -741.688221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.688221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.688221 (E_RNA)
where:
Base-Base interactions energy: -534.969
where: short stacking energy: -214.926
Base-Backbone interact. energy: -1.809
local terms energy: -204.909897
where:
bonds (distance) C4'-P energy: -44.391
bonds (distance) P-C4' energy: -46.887
flat angles C4'-P-C4' energy: -48.812
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -49.832
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: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -707.722938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.722938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.722938 (E_RNA)
where:
Base-Base interactions energy: -469.541
where: short stacking energy: -220.479
Base-Backbone interact. energy: -1.214
local terms energy: -236.967827
where:
bonds (distance) C4'-P energy: -45.940
bonds (distance) P-C4' energy: -42.862
flat angles C4'-P-C4' energy: -52.955
flat angles P-C4'-P energy: -32.957
tors. eta vs tors. theta energy: -62.254
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: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -617.561839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.561839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.561839 (E_RNA)
where:
Base-Base interactions energy: -396.786
where: short stacking energy: -184.934
Base-Backbone interact. energy: -0.666
local terms energy: -220.109877
where:
bonds (distance) C4'-P energy: -42.289
bonds (distance) P-C4' energy: -47.035
flat angles C4'-P-C4' energy: -45.606
flat angles P-C4'-P energy: -32.285
tors. eta vs tors. theta energy: -52.895
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: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -515.316324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.316324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.316324 (E_RNA)
where:
Base-Base interactions energy: -340.155
where: short stacking energy: -154.542
Base-Backbone interact. energy: -0.799
local terms energy: -174.361926
where:
bonds (distance) C4'-P energy: -43.665
bonds (distance) P-C4' energy: -42.005
flat angles C4'-P-C4' energy: -47.298
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -25.194
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: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -391.815137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.815137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.815137 (E_RNA)
where:
Base-Base interactions energy: -220.868
where: short stacking energy: -128.576
Base-Backbone interact. energy: -0.727
local terms energy: -170.220106
where:
bonds (distance) C4'-P energy: -46.249
bonds (distance) P-C4' energy: -29.501
flat angles C4'-P-C4' energy: -47.954
flat angles P-C4'-P energy: -29.590
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -415.933872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.933872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.933872 (E_RNA)
where:
Base-Base interactions energy: -260.472
where: short stacking energy: -132.015
Base-Backbone interact. energy: 2.048
local terms energy: -157.509591
where:
bonds (distance) C4'-P energy: -27.839
bonds (distance) P-C4' energy: -33.962
flat angles C4'-P-C4' energy: -41.431
flat angles P-C4'-P energy: -28.474
tors. eta vs tors. theta energy: -25.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -222.608999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.608999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.608999 (E_RNA)
where:
Base-Base interactions energy: -113.819
where: short stacking energy: -57.913
Base-Backbone interact. energy: -0.356
local terms energy: -108.434632
where:
bonds (distance) C4'-P energy: -28.784
bonds (distance) P-C4' energy: -50.985
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -19.445
tors. eta vs tors. theta energy: 13.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -838.251024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.251024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.251024 (E_RNA)
where:
Base-Base interactions energy: -573.368
where: short stacking energy: -228.023
Base-Backbone interact. energy: -1.351
local terms energy: -263.531439
where:
bonds (distance) C4'-P energy: -47.467
bonds (distance) P-C4' energy: -54.539
flat angles C4'-P-C4' energy: -57.479
flat angles P-C4'-P energy: -43.769
tors. eta vs tors. theta energy: -60.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -834.229358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.229358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.229358 (E_RNA)
where:
Base-Base interactions energy: -562.746
where: short stacking energy: -265.171
Base-Backbone interact. energy: -1.268
local terms energy: -270.214989
where:
bonds (distance) C4'-P energy: -46.778
bonds (distance) P-C4' energy: -47.181
flat angles C4'-P-C4' energy: -56.079
flat angles P-C4'-P energy: -41.368
tors. eta vs tors. theta energy: -78.809
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: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -759.583924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.583924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.583924 (E_RNA)
where:
Base-Base interactions energy: -523.217
where: short stacking energy: -193.567
Base-Backbone interact. energy: -1.404
local terms energy: -234.962639
where:
bonds (distance) C4'-P energy: -45.781
bonds (distance) P-C4' energy: -45.032
flat angles C4'-P-C4' energy: -49.044
flat angles P-C4'-P energy: -36.142
tors. eta vs tors. theta energy: -58.964
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: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -751.794948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.794948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.794948 (E_RNA)
where:
Base-Base interactions energy: -530.960
where: short stacking energy: -211.278
Base-Backbone interact. energy: -0.780
local terms energy: -220.055337
where:
bonds (distance) C4'-P energy: -46.397
bonds (distance) P-C4' energy: -46.245
flat angles C4'-P-C4' energy: -43.607
flat angles P-C4'-P energy: -35.899
tors. eta vs tors. theta energy: -47.907
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: 118
Temperature: 1.100000
Total energy: -684.329959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.329959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.329959 (E_RNA)
where:
Base-Base interactions energy: -469.429
where: short stacking energy: -217.247
Base-Backbone interact. energy: -0.481
local terms energy: -214.419703
where:
bonds (distance) C4'-P energy: -37.555
bonds (distance) P-C4' energy: -42.936
flat angles C4'-P-C4' energy: -49.071
flat angles P-C4'-P energy: -32.376
tors. eta vs tors. theta energy: -52.482
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: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -649.963748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.963748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.963748 (E_RNA)
where:
Base-Base interactions energy: -437.143
where: short stacking energy: -218.673
Base-Backbone interact. energy: -0.924
local terms energy: -211.896539
where:
bonds (distance) C4'-P energy: -41.770
bonds (distance) P-C4' energy: -28.266
flat angles C4'-P-C4' energy: -47.105
flat angles P-C4'-P energy: -30.396
tors. eta vs tors. theta energy: -64.360
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: 7, replica: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -527.968906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.968906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.968906 (E_RNA)
where:
Base-Base interactions energy: -336.767
where: short stacking energy: -156.512
Base-Backbone interact. energy: 0.936
local terms energy: -192.137897
where:
bonds (distance) C4'-P energy: -41.127
bonds (distance) P-C4' energy: -52.435
flat angles C4'-P-C4' energy: -38.895
flat angles P-C4'-P energy: -29.860
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: 8, replica: 7
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -423.506893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.506893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.506893 (E_RNA)
where:
Base-Base interactions energy: -254.257
where: short stacking energy: -143.948
Base-Backbone interact. energy: 0.038
local terms energy: -169.288548
where:
bonds (distance) C4'-P energy: -32.510
bonds (distance) P-C4' energy: -46.447
flat angles C4'-P-C4' energy: -43.175
flat angles P-C4'-P energy: -25.777
tors. eta vs tors. theta energy: -21.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -405.462873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.462873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.462873 (E_RNA)
where:
Base-Base interactions energy: -252.016
where: short stacking energy: -100.487
Base-Backbone interact. energy: -1.090
local terms energy: -152.356760
where:
bonds (distance) C4'-P energy: -49.272
bonds (distance) P-C4' energy: -36.545
flat angles C4'-P-C4' energy: -30.488
flat angles P-C4'-P energy: -27.529
tors. eta vs tors. theta energy: -8.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -270.183812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.183812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.183812 (E_RNA)
where:
Base-Base interactions energy: -126.202
where: short stacking energy: -85.471
Base-Backbone interact. energy: -0.553
local terms energy: -143.428452
where:
bonds (distance) C4'-P energy: -41.354
bonds (distance) P-C4' energy: -39.507
flat angles C4'-P-C4' energy: -37.009
flat angles P-C4'-P energy: -21.585
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -822.281383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.281383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.281383 (E_RNA)
where:
Base-Base interactions energy: -566.847
where: short stacking energy: -250.159
Base-Backbone interact. energy: -2.234
local terms energy: -253.199977
where:
bonds (distance) C4'-P energy: -41.673
bonds (distance) P-C4' energy: -51.322
flat angles C4'-P-C4' energy: -57.498
flat angles P-C4'-P energy: -41.701
tors. eta vs tors. theta energy: -61.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -821.927810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.927810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.927810 (E_RNA)
where:
Base-Base interactions energy: -561.353
where: short stacking energy: -268.944
Base-Backbone interact. energy: -0.046
local terms energy: -260.529039
where:
bonds (distance) C4'-P energy: -46.850
bonds (distance) P-C4' energy: -43.873
flat angles C4'-P-C4' energy: -55.591
flat angles P-C4'-P energy: -35.920
tors. eta vs tors. theta energy: -78.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -771.179768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.179768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.179768 (E_RNA)
where:
Base-Base interactions energy: -549.779
where: short stacking energy: -210.485
Base-Backbone interact. energy: 3.350
local terms energy: -224.750302
where:
bonds (distance) C4'-P energy: -48.182
bonds (distance) P-C4' energy: -45.068
flat angles C4'-P-C4' energy: -49.569
flat angles P-C4'-P energy: -26.653
tors. eta vs tors. theta energy: -55.278
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: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -783.748423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.748423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.748423 (E_RNA)
where:
Base-Base interactions energy: -563.566
where: short stacking energy: -215.445
Base-Backbone interact. energy: -2.201
local terms energy: -217.981446
where:
bonds (distance) C4'-P energy: -33.128
bonds (distance) P-C4' energy: -45.135
flat angles C4'-P-C4' energy: -55.457
flat angles P-C4'-P energy: -34.090
tors. eta vs tors. theta energy: -50.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -676.852273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.852273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.852273 (E_RNA)
where:
Base-Base interactions energy: -448.313
where: short stacking energy: -202.121
Base-Backbone interact. energy: -1.237
local terms energy: -227.302635
where:
bonds (distance) C4'-P energy: -47.711
bonds (distance) P-C4' energy: -48.430
flat angles C4'-P-C4' energy: -51.245
flat angles P-C4'-P energy: -25.074
tors. eta vs tors. theta energy: -54.843
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: 6, replica: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -667.712521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.712521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.712521 (E_RNA)
where:
Base-Base interactions energy: -461.488
where: short stacking energy: -214.442
Base-Backbone interact. energy: -0.481
local terms energy: -205.743553
where:
bonds (distance) C4'-P energy: -39.254
bonds (distance) P-C4' energy: -42.223
flat angles C4'-P-C4' energy: -40.176
flat angles P-C4'-P energy: -23.990
tors. eta vs tors. theta energy: -60.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -541.732356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.732356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.732356 (E_RNA)
where:
Base-Base interactions energy: -370.320
where: short stacking energy: -163.170
Base-Backbone interact. energy: -0.130
local terms energy: -171.283134
where:
bonds (distance) C4'-P energy: -43.401
bonds (distance) P-C4' energy: -39.662
flat angles C4'-P-C4' energy: -42.320
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -29.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -457.774908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.774908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.774908 (E_RNA)
where:
Base-Base interactions energy: -287.658
where: short stacking energy: -140.446
Base-Backbone interact. energy: 0.113
local terms energy: -170.230240
where:
bonds (distance) C4'-P energy: -33.970
bonds (distance) P-C4' energy: -38.335
flat angles C4'-P-C4' energy: -51.415
flat angles P-C4'-P energy: -18.831
tors. eta vs tors. theta energy: -27.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -333.233997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.233997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.233997 (E_RNA)
where:
Base-Base interactions energy: -160.787
where: short stacking energy: -98.789
Base-Backbone interact. energy: -0.479
local terms energy: -171.967528
where:
bonds (distance) C4'-P energy: -47.323
bonds (distance) P-C4' energy: -47.569
flat angles C4'-P-C4' energy: -38.936
flat angles P-C4'-P energy: -22.351
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: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -259.299409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.299409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.299409 (E_RNA)
where:
Base-Base interactions energy: -125.098
where: short stacking energy: -81.683
Base-Backbone interact. energy: -0.926
local terms energy: -133.275037
where:
bonds (distance) C4'-P energy: -41.329
bonds (distance) P-C4' energy: -37.455
flat angles C4'-P-C4' energy: -38.071
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: 4.074
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: 120
Temperature: 0.900000
Total energy: -818.304930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.304930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.304930 (E_RNA)
where:
Base-Base interactions energy: -564.203
where: short stacking energy: -245.329
Base-Backbone interact. energy: -0.816
local terms energy: -253.285455
where:
bonds (distance) C4'-P energy: -51.919
bonds (distance) P-C4' energy: -50.972
flat angles C4'-P-C4' energy: -54.762
flat angles P-C4'-P energy: -32.938
tors. eta vs tors. theta energy: -62.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -826.319015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.319015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.319015 (E_RNA)
where:
Base-Base interactions energy: -548.738
where: short stacking energy: -252.351
Base-Backbone interact. energy: -0.645
local terms energy: -276.936480
where:
bonds (distance) C4'-P energy: -52.704
bonds (distance) P-C4' energy: -53.623
flat angles C4'-P-C4' energy: -55.799
flat angles P-C4'-P energy: -38.198
tors. eta vs tors. theta energy: -76.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -756.208784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.208784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.208784 (E_RNA)
where:
Base-Base interactions energy: -538.813
where: short stacking energy: -208.196
Base-Backbone interact. energy: -2.724
local terms energy: -214.671407
where:
bonds (distance) C4'-P energy: -44.909
bonds (distance) P-C4' energy: -46.965
flat angles C4'-P-C4' energy: -44.390
flat angles P-C4'-P energy: -28.620
tors. eta vs tors. theta energy: -49.788
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: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -751.934524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.934524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.934524 (E_RNA)
where:
Base-Base interactions energy: -522.136
where: short stacking energy: -196.182
Base-Backbone interact. energy: -1.719
local terms energy: -228.078953
where:
bonds (distance) C4'-P energy: -39.251
bonds (distance) P-C4' energy: -51.909
flat angles C4'-P-C4' energy: -46.421
flat angles P-C4'-P energy: -32.160
tors. eta vs tors. theta energy: -58.337
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: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -663.921919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.921919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.921919 (E_RNA)
where:
Base-Base interactions energy: -447.765
where: short stacking energy: -206.179
Base-Backbone interact. energy: 2.521
local terms energy: -218.677079
where:
bonds (distance) C4'-P energy: -35.638
bonds (distance) P-C4' energy: -44.357
flat angles C4'-P-C4' energy: -49.502
flat angles P-C4'-P energy: -33.369
tors. eta vs tors. theta energy: -55.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -648.918341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.918341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.918341 (E_RNA)
where:
Base-Base interactions energy: -432.959
where: short stacking energy: -194.966
Base-Backbone interact. energy: -1.045
local terms energy: -214.914729
where:
bonds (distance) C4'-P energy: -42.980
bonds (distance) P-C4' energy: -40.561
flat angles C4'-P-C4' energy: -44.702
flat angles P-C4'-P energy: -36.898
tors. eta vs tors. theta energy: -49.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -522.441528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.441528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.441528 (E_RNA)
where:
Base-Base interactions energy: -334.658
where: short stacking energy: -153.735
Base-Backbone interact. energy: -1.113
local terms energy: -186.670784
where:
bonds (distance) C4'-P energy: -32.623
bonds (distance) P-C4' energy: -47.665
flat angles C4'-P-C4' energy: -41.215
flat angles P-C4'-P energy: -35.309
tors. eta vs tors. theta energy: -29.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -440.750560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.750560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.750560 (E_RNA)
where:
Base-Base interactions energy: -267.795
where: short stacking energy: -144.229
Base-Backbone interact. energy: 0.233
local terms energy: -173.188617
where:
bonds (distance) C4'-P energy: -42.003
bonds (distance) P-C4' energy: -47.033
flat angles C4'-P-C4' energy: -25.040
flat angles P-C4'-P energy: -37.449
tors. eta vs tors. theta energy: -21.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -329.590499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.590499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.590499 (E_RNA)
where:
Base-Base interactions energy: -182.193
where: short stacking energy: -105.285
Base-Backbone interact. energy: 1.435
local terms energy: -148.832429
where:
bonds (distance) C4'-P energy: -32.247
bonds (distance) P-C4' energy: -40.809
flat angles C4'-P-C4' energy: -39.882
flat angles P-C4'-P energy: -33.659
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -250.891192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.891192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.891192 (E_RNA)
where:
Base-Base interactions energy: -105.909
where: short stacking energy: -73.464
Base-Backbone interact. energy: -1.911
local terms energy: -143.071031
where:
bonds (distance) C4'-P energy: -37.329
bonds (distance) P-C4' energy: -45.098
flat angles C4'-P-C4' energy: -41.049
flat angles P-C4'-P energy: -23.805
tors. eta vs tors. theta energy: 4.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -816.997528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.997528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.997528 (E_RNA)
where:
Base-Base interactions energy: -573.307
where: short stacking energy: -247.536
Base-Backbone interact. energy: 5.218
local terms energy: -248.908564
where:
bonds (distance) C4'-P energy: -52.395
bonds (distance) P-C4' energy: -44.367
flat angles C4'-P-C4' energy: -56.121
flat angles P-C4'-P energy: -31.481
tors. eta vs tors. theta energy: -64.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -831.271707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.271707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.271707 (E_RNA)
where:
Base-Base interactions energy: -571.016
where: short stacking energy: -257.016
Base-Backbone interact. energy: -0.115
local terms energy: -260.139851
where:
bonds (distance) C4'-P energy: -44.916
bonds (distance) P-C4' energy: -45.483
flat angles C4'-P-C4' energy: -48.978
flat angles P-C4'-P energy: -45.113
tors. eta vs tors. theta energy: -75.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -769.652507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.652507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.652507 (E_RNA)
where:
Base-Base interactions energy: -551.053
where: short stacking energy: -215.818
Base-Backbone interact. energy: -2.717
local terms energy: -215.882298
where:
bonds (distance) C4'-P energy: -49.554
bonds (distance) P-C4' energy: -45.715
flat angles C4'-P-C4' energy: -50.136
flat angles P-C4'-P energy: -22.977
tors. eta vs tors. theta energy: -47.500
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: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -730.135349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.135349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.135349 (E_RNA)
where:
Base-Base interactions energy: -505.359
where: short stacking energy: -205.685
Base-Backbone interact. energy: -2.466
local terms energy: -222.309411
where:
bonds (distance) C4'-P energy: -45.221
bonds (distance) P-C4' energy: -48.000
flat angles C4'-P-C4' energy: -44.298
flat angles P-C4'-P energy: -30.116
tors. eta vs tors. theta energy: -54.675
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: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -707.656069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.656069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.656069 (E_RNA)
where:
Base-Base interactions energy: -468.909
where: short stacking energy: -217.760
Base-Backbone interact. energy: 0.804
local terms energy: -239.550739
where:
bonds (distance) C4'-P energy: -48.540
bonds (distance) P-C4' energy: -42.129
flat angles C4'-P-C4' energy: -47.411
flat angles P-C4'-P energy: -40.118
tors. eta vs tors. theta energy: -61.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -625.513423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.513423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.513423 (E_RNA)
where:
Base-Base interactions energy: -408.416
where: short stacking energy: -205.701
Base-Backbone interact. energy: -0.687
local terms energy: -216.410144
where:
bonds (distance) C4'-P energy: -38.895
bonds (distance) P-C4' energy: -48.047
flat angles C4'-P-C4' energy: -44.147
flat angles P-C4'-P energy: -34.382
tors. eta vs tors. theta energy: -50.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -462.470474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.470474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.470474 (E_RNA)
where:
Base-Base interactions energy: -274.079
where: short stacking energy: -133.339
Base-Backbone interact. energy: -0.977
local terms energy: -187.414588
where:
bonds (distance) C4'-P energy: -46.107
bonds (distance) P-C4' energy: -45.937
flat angles C4'-P-C4' energy: -47.623
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -31.338
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: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -428.591343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.591343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.591343 (E_RNA)
where:
Base-Base interactions energy: -257.478
where: short stacking energy: -141.059
Base-Backbone interact. energy: 0.644
local terms energy: -171.757053
where:
bonds (distance) C4'-P energy: -35.536
bonds (distance) P-C4' energy: -33.471
flat angles C4'-P-C4' energy: -45.476
flat angles P-C4'-P energy: -25.489
tors. eta vs tors. theta energy: -31.786
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: 3
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -311.853621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.853621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.853621 (E_RNA)
where:
Base-Base interactions energy: -157.780
where: short stacking energy: -100.954
Base-Backbone interact. energy: -1.109
local terms energy: -152.964433
where:
bonds (distance) C4'-P energy: -41.357
bonds (distance) P-C4' energy: -38.943
flat angles C4'-P-C4' energy: -41.276
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -12.877
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: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -270.535151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.535151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.535151 (E_RNA)
where:
Base-Base interactions energy: -133.545
where: short stacking energy: -83.729
Base-Backbone interact. energy: 1.103
local terms energy: -138.092813
where:
bonds (distance) C4'-P energy: -45.531
bonds (distance) P-C4' energy: -33.624
flat angles C4'-P-C4' energy: -36.377
flat angles P-C4'-P energy: -27.269
tors. eta vs tors. theta energy: 4.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -850.202925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.202925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.202925 (E_RNA)
where:
Base-Base interactions energy: -581.644
where: short stacking energy: -270.174
Base-Backbone interact. energy: -0.095
local terms energy: -268.463069
where:
bonds (distance) C4'-P energy: -40.225
bonds (distance) P-C4' energy: -50.216
flat angles C4'-P-C4' energy: -59.131
flat angles P-C4'-P energy: -39.587
tors. eta vs tors. theta energy: -79.303
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: 122
Temperature: 0.950000
Total energy: -805.588592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.588592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.588592 (E_RNA)
where:
Base-Base interactions energy: -561.092
where: short stacking energy: -246.967
Base-Backbone interact. energy: 0.198
local terms energy: -244.694432
where:
bonds (distance) C4'-P energy: -41.045
bonds (distance) P-C4' energy: -46.512
flat angles C4'-P-C4' energy: -56.821
flat angles P-C4'-P energy: -39.665
tors. eta vs tors. theta energy: -60.651
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: 4
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -759.014244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.014244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.014244 (E_RNA)
where:
Base-Base interactions energy: -530.086
where: short stacking energy: -208.066
Base-Backbone interact. energy: 0.316
local terms energy: -229.244775
where:
bonds (distance) C4'-P energy: -43.950
bonds (distance) P-C4' energy: -54.814
flat angles C4'-P-C4' energy: -49.057
flat angles P-C4'-P energy: -25.986
tors. eta vs tors. theta energy: -55.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -748.107616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.107616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.107616 (E_RNA)
where:
Base-Base interactions energy: -519.365
where: short stacking energy: -201.999
Base-Backbone interact. energy: -3.094
local terms energy: -225.649041
where:
bonds (distance) C4'-P energy: -46.529
bonds (distance) P-C4' energy: -41.997
flat angles C4'-P-C4' energy: -51.422
flat angles P-C4'-P energy: -29.250
tors. eta vs tors. theta energy: -56.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -716.302004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.302004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.302004 (E_RNA)
where:
Base-Base interactions energy: -476.239
where: short stacking energy: -207.607
Base-Backbone interact. energy: 0.052
local terms energy: -240.114891
where:
bonds (distance) C4'-P energy: -39.968
bonds (distance) P-C4' energy: -57.750
flat angles C4'-P-C4' energy: -46.173
flat angles P-C4'-P energy: -37.576
tors. eta vs tors. theta energy: -58.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -626.941464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.941464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.941464 (E_RNA)
where:
Base-Base interactions energy: -430.476
where: short stacking energy: -192.194
Base-Backbone interact. energy: 6.037
local terms energy: -202.502408
where:
bonds (distance) C4'-P energy: -37.469
bonds (distance) P-C4' energy: -46.503
flat angles C4'-P-C4' energy: -44.158
flat angles P-C4'-P energy: -26.177
tors. eta vs tors. theta energy: -48.196
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: 122
Temperature: 1.200000
Total energy: -440.013502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.013502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.013502 (E_RNA)
where:
Base-Base interactions energy: -255.172
where: short stacking energy: -137.750
Base-Backbone interact. energy: 0.940
local terms energy: -185.781340
where:
bonds (distance) C4'-P energy: -45.081
bonds (distance) P-C4' energy: -45.393
flat angles C4'-P-C4' energy: -43.515
flat angles P-C4'-P energy: -27.745
tors. eta vs tors. theta energy: -24.048
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: 2
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -443.182353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.182353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.182353 (E_RNA)
where:
Base-Base interactions energy: -263.109
where: short stacking energy: -132.666
Base-Backbone interact. energy: 2.205
local terms energy: -182.278566
where:
bonds (distance) C4'-P energy: -39.131
bonds (distance) P-C4' energy: -37.764
flat angles C4'-P-C4' energy: -41.742
flat angles P-C4'-P energy: -29.854
tors. eta vs tors. theta energy: -33.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -316.506540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.506540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.506540 (E_RNA)
where:
Base-Base interactions energy: -159.677
where: short stacking energy: -79.434
Base-Backbone interact. energy: -0.811
local terms energy: -156.018910
where:
bonds (distance) C4'-P energy: -37.627
bonds (distance) P-C4' energy: -51.826
flat angles C4'-P-C4' energy: -36.279
flat angles P-C4'-P energy: -27.136
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: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -226.234607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.234607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.234607 (E_RNA)
where:
Base-Base interactions energy: -79.125
where: short stacking energy: -60.817
Base-Backbone interact. energy: 0.292
local terms energy: -147.400974
where:
bonds (distance) C4'-P energy: -44.567
bonds (distance) P-C4' energy: -42.995
flat angles C4'-P-C4' energy: -33.928
flat angles P-C4'-P energy: -30.347
tors. eta vs tors. theta energy: 4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -837.322738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.322738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.322738 (E_RNA)
where:
Base-Base interactions energy: -579.089
where: short stacking energy: -266.879
Base-Backbone interact. energy: -0.503
local terms energy: -257.731002
where:
bonds (distance) C4'-P energy: -47.141
bonds (distance) P-C4' energy: -36.788
flat angles C4'-P-C4' energy: -54.159
flat angles P-C4'-P energy: -41.018
tors. eta vs tors. theta energy: -78.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -800.221508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.221508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.221508 (E_RNA)
where:
Base-Base interactions energy: -551.729
where: short stacking energy: -237.758
Base-Backbone interact. energy: -0.736
local terms energy: -247.756528
where:
bonds (distance) C4'-P energy: -50.385
bonds (distance) P-C4' energy: -47.575
flat angles C4'-P-C4' energy: -56.028
flat angles P-C4'-P energy: -35.114
tors. eta vs tors. theta energy: -58.654
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: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -775.084550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.084550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.084550 (E_RNA)
where:
Base-Base interactions energy: -554.841
where: short stacking energy: -216.377
Base-Backbone interact. energy: -1.163
local terms energy: -219.080449
where:
bonds (distance) C4'-P energy: -45.468
bonds (distance) P-C4' energy: -45.617
flat angles C4'-P-C4' energy: -44.608
flat angles P-C4'-P energy: -30.696
tors. eta vs tors. theta energy: -52.692
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: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -732.999353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.999353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.999353 (E_RNA)
where:
Base-Base interactions energy: -504.050
where: short stacking energy: -220.619
Base-Backbone interact. energy: -1.774
local terms energy: -227.175336
where:
bonds (distance) C4'-P energy: -45.565
bonds (distance) P-C4' energy: -41.327
flat angles C4'-P-C4' energy: -51.067
flat angles P-C4'-P energy: -32.637
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: 5, replica: 6
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -720.465003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.465003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.465003 (E_RNA)
where:
Base-Base interactions energy: -486.274
where: short stacking energy: -234.033
Base-Backbone interact. energy: -3.255
local terms energy: -230.935974
where:
bonds (distance) C4'-P energy: -36.133
bonds (distance) P-C4' energy: -47.127
flat angles C4'-P-C4' energy: -56.423
flat angles P-C4'-P energy: -25.064
tors. eta vs tors. theta energy: -66.189
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: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -629.161554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.161554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.161554 (E_RNA)
where:
Base-Base interactions energy: -420.817
where: short stacking energy: -187.968
Base-Backbone interact. energy: -0.838
local terms energy: -207.507040
where:
bonds (distance) C4'-P energy: -45.023
bonds (distance) P-C4' energy: -40.309
flat angles C4'-P-C4' energy: -49.748
flat angles P-C4'-P energy: -25.068
tors. eta vs tors. theta energy: -47.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -452.318703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.318703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.318703 (E_RNA)
where:
Base-Base interactions energy: -260.031
where: short stacking energy: -132.975
Base-Backbone interact. energy: -1.278
local terms energy: -191.010313
where:
bonds (distance) C4'-P energy: -34.827
bonds (distance) P-C4' energy: -49.491
flat angles C4'-P-C4' energy: -41.898
flat angles P-C4'-P energy: -32.507
tors. eta vs tors. theta energy: -32.287
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: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -398.572606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.572606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.572606 (E_RNA)
where:
Base-Base interactions energy: -225.498
where: short stacking energy: -125.365
Base-Backbone interact. energy: 2.641
local terms energy: -175.715663
where:
bonds (distance) C4'-P energy: -46.361
bonds (distance) P-C4' energy: -47.677
flat angles C4'-P-C4' energy: -46.474
flat angles P-C4'-P energy: -23.983
tors. eta vs tors. theta energy: -11.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -338.163008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.163008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.163008 (E_RNA)
where:
Base-Base interactions energy: -199.992
where: short stacking energy: -119.810
Base-Backbone interact. energy: 2.959
local terms energy: -141.129448
where:
bonds (distance) C4'-P energy: -40.400
bonds (distance) P-C4' energy: -28.954
flat angles C4'-P-C4' energy: -36.522
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -22.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -235.456321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.456321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.456321 (E_RNA)
where:
Base-Base interactions energy: -91.740
where: short stacking energy: -70.571
Base-Backbone interact. energy: 3.121
local terms energy: -146.836870
where:
bonds (distance) C4'-P energy: -37.563
bonds (distance) P-C4' energy: -42.527
flat angles C4'-P-C4' energy: -39.569
flat angles P-C4'-P energy: -27.846
tors. eta vs tors. theta energy: 0.668
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: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -827.715779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.715779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.715779 (E_RNA)
where:
Base-Base interactions energy: -558.377
where: short stacking energy: -249.254
Base-Backbone interact. energy: 0.560
local terms energy: -269.899651
where:
bonds (distance) C4'-P energy: -47.232
bonds (distance) P-C4' energy: -57.634
flat angles C4'-P-C4' energy: -53.585
flat angles P-C4'-P energy: -36.575
tors. eta vs tors. theta energy: -74.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -799.527160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.527160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.527160 (E_RNA)
where:
Base-Base interactions energy: -562.628
where: short stacking energy: -215.933
Base-Backbone interact. energy: -0.421
local terms energy: -236.478717
where:
bonds (distance) C4'-P energy: -40.802
bonds (distance) P-C4' energy: -49.392
flat angles C4'-P-C4' energy: -57.702
flat angles P-C4'-P energy: -37.575
tors. eta vs tors. theta energy: -51.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -778.596729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.596729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.596729 (E_RNA)
where:
Base-Base interactions energy: -554.434
where: short stacking energy: -219.339
Base-Backbone interact. energy: -2.873
local terms energy: -221.289587
where:
bonds (distance) C4'-P energy: -43.865
bonds (distance) P-C4' energy: -35.507
flat angles C4'-P-C4' energy: -50.366
flat angles P-C4'-P energy: -34.030
tors. eta vs tors. theta energy: -57.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -750.278675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.278675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.278675 (E_RNA)
where:
Base-Base interactions energy: -514.214
where: short stacking energy: -206.499
Base-Backbone interact. energy: -1.023
local terms energy: -235.040996
where:
bonds (distance) C4'-P energy: -43.491
bonds (distance) P-C4' energy: -46.069
flat angles C4'-P-C4' energy: -47.617
flat angles P-C4'-P energy: -39.863
tors. eta vs tors. theta energy: -58.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -712.981214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.981214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.981214 (E_RNA)
where:
Base-Base interactions energy: -473.101
where: short stacking energy: -218.229
Base-Backbone interact. energy: 0.102
local terms energy: -239.981495
where:
bonds (distance) C4'-P energy: -31.364
bonds (distance) P-C4' energy: -53.843
flat angles C4'-P-C4' energy: -53.041
flat angles P-C4'-P energy: -34.381
tors. eta vs tors. theta energy: -67.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -647.549726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.549726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.549726 (E_RNA)
where:
Base-Base interactions energy: -416.402
where: short stacking energy: -191.782
Base-Backbone interact. energy: -0.758
local terms energy: -230.389015
where:
bonds (distance) C4'-P energy: -47.368
bonds (distance) P-C4' energy: -52.702
flat angles C4'-P-C4' energy: -50.457
flat angles P-C4'-P energy: -34.052
tors. eta vs tors. theta energy: -45.809
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: 2
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -424.118904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.118904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.118904 (E_RNA)
where:
Base-Base interactions energy: -249.224
where: short stacking energy: -126.920
Base-Backbone interact. energy: -0.593
local terms energy: -174.301557
where:
bonds (distance) C4'-P energy: -45.471
bonds (distance) P-C4' energy: -43.702
flat angles C4'-P-C4' energy: -41.555
flat angles P-C4'-P energy: -25.767
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -450.849075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.849075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.849075 (E_RNA)
where:
Base-Base interactions energy: -254.831
where: short stacking energy: -136.763
Base-Backbone interact. energy: -2.331
local terms energy: -193.686872
where:
bonds (distance) C4'-P energy: -45.963
bonds (distance) P-C4' energy: -52.310
flat angles C4'-P-C4' energy: -36.119
flat angles P-C4'-P energy: -25.732
tors. eta vs tors. theta energy: -33.563
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: 3
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -325.250287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.250287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.250287 (E_RNA)
where:
Base-Base interactions energy: -175.682
where: short stacking energy: -119.396
Base-Backbone interact. energy: 2.577
local terms energy: -152.144763
where:
bonds (distance) C4'-P energy: -41.775
bonds (distance) P-C4' energy: -40.299
flat angles C4'-P-C4' energy: -31.637
flat angles P-C4'-P energy: -24.380
tors. eta vs tors. theta energy: -14.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -297.485827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.485827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.485827 (E_RNA)
where:
Base-Base interactions energy: -152.077
where: short stacking energy: -83.607
Base-Backbone interact. energy: -1.503
local terms energy: -143.906319
where:
bonds (distance) C4'-P energy: -44.782
bonds (distance) P-C4' energy: -40.611
flat angles C4'-P-C4' energy: -30.539
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: -1.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -852.413369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.413369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.413369 (E_RNA)
where:
Base-Base interactions energy: -587.565
where: short stacking energy: -250.216
Base-Backbone interact. energy: -0.312
local terms energy: -264.536565
where:
bonds (distance) C4'-P energy: -49.991
bonds (distance) P-C4' energy: -50.858
flat angles C4'-P-C4' energy: -50.873
flat angles P-C4'-P energy: -36.925
tors. eta vs tors. theta energy: -75.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -788.151525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.151525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.151525 (E_RNA)
where:
Base-Base interactions energy: -548.569
where: short stacking energy: -236.213
Base-Backbone interact. energy: -0.114
local terms energy: -239.468903
where:
bonds (distance) C4'-P energy: -46.718
bonds (distance) P-C4' energy: -47.910
flat angles C4'-P-C4' energy: -57.198
flat angles P-C4'-P energy: -30.386
tors. eta vs tors. theta energy: -57.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -800.028964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.028964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.028964 (E_RNA)
where:
Base-Base interactions energy: -572.916
where: short stacking energy: -222.204
Base-Backbone interact. energy: 0.067
local terms energy: -227.179809
where:
bonds (distance) C4'-P energy: -42.442
bonds (distance) P-C4' energy: -54.769
flat angles C4'-P-C4' energy: -45.286
flat angles P-C4'-P energy: -30.979
tors. eta vs tors. theta energy: -53.703
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: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -725.392320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.392320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.392320 (E_RNA)
where:
Base-Base interactions energy: -486.945
where: short stacking energy: -222.164
Base-Backbone interact. energy: -0.383
local terms energy: -238.065056
where:
bonds (distance) C4'-P energy: -41.157
bonds (distance) P-C4' energy: -44.697
flat angles C4'-P-C4' energy: -53.939
flat angles P-C4'-P energy: -30.558
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: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -750.376439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.376439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.376439 (E_RNA)
where:
Base-Base interactions energy: -523.627
where: short stacking energy: -206.572
Base-Backbone interact. energy: -1.522
local terms energy: -225.227173
where:
bonds (distance) C4'-P energy: -44.853
bonds (distance) P-C4' energy: -41.506
flat angles C4'-P-C4' energy: -49.978
flat angles P-C4'-P energy: -31.130
tors. eta vs tors. theta energy: -57.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -653.038362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.038362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.038362 (E_RNA)
where:
Base-Base interactions energy: -431.032
where: short stacking energy: -198.490
Base-Backbone interact. energy: -0.441
local terms energy: -221.564981
where:
bonds (distance) C4'-P energy: -42.481
bonds (distance) P-C4' energy: -42.411
flat angles C4'-P-C4' energy: -52.911
flat angles P-C4'-P energy: -29.383
tors. eta vs tors. theta energy: -54.378
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: 2
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -449.092879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.092879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.092879 (E_RNA)
where:
Base-Base interactions energy: -258.066
where: short stacking energy: -134.054
Base-Backbone interact. energy: -1.788
local terms energy: -189.238452
where:
bonds (distance) C4'-P energy: -43.112
bonds (distance) P-C4' energy: -39.615
flat angles C4'-P-C4' energy: -50.122
flat angles P-C4'-P energy: -31.660
tors. eta vs tors. theta energy: -24.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -427.806177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.806177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.806177 (E_RNA)
where:
Base-Base interactions energy: -258.132
where: short stacking energy: -122.895
Base-Backbone interact. energy: -0.206
local terms energy: -169.467739
where:
bonds (distance) C4'-P energy: -42.933
bonds (distance) P-C4' energy: -54.715
flat angles C4'-P-C4' energy: -27.373
flat angles P-C4'-P energy: -33.567
tors. eta vs tors. theta energy: -10.880
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: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -325.281131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.281131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.281131 (E_RNA)
where:
Base-Base interactions energy: -162.946
where: short stacking energy: -86.940
Base-Backbone interact. energy: -0.304
local terms energy: -162.030622
where:
bonds (distance) C4'-P energy: -37.751
bonds (distance) P-C4' energy: -44.810
flat angles C4'-P-C4' energy: -43.646
flat angles P-C4'-P energy: -30.974
tors. eta vs tors. theta energy: -4.849
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: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -267.231824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.231824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.231824 (E_RNA)
where:
Base-Base interactions energy: -135.383
where: short stacking energy: -89.942
Base-Backbone interact. energy: 0.334
local terms energy: -132.182380
where:
bonds (distance) C4'-P energy: -34.368
bonds (distance) P-C4' energy: -32.620
flat angles C4'-P-C4' energy: -36.010
flat angles P-C4'-P energy: -25.228
tors. eta vs tors. theta energy: -3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -862.199487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.199487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.199487 (E_RNA)
where:
Base-Base interactions energy: -586.196
where: short stacking energy: -264.565
Base-Backbone interact. energy: -0.608
local terms energy: -275.394721
where:
bonds (distance) C4'-P energy: -50.886
bonds (distance) P-C4' energy: -54.598
flat angles C4'-P-C4' energy: -51.699
flat angles P-C4'-P energy: -42.135
tors. eta vs tors. theta energy: -76.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -774.188215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.188215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.188215 (E_RNA)
where:
Base-Base interactions energy: -535.024
where: short stacking energy: -230.177
Base-Backbone interact. energy: -0.929
local terms energy: -238.235187
where:
bonds (distance) C4'-P energy: -39.833
bonds (distance) P-C4' energy: -50.714
flat angles C4'-P-C4' energy: -51.360
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -59.192
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: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -796.165304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.165304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.165304 (E_RNA)
where:
Base-Base interactions energy: -560.372
where: short stacking energy: -209.869
Base-Backbone interact. energy: -1.600
local terms energy: -234.192920
where:
bonds (distance) C4'-P energy: -48.566
bonds (distance) P-C4' energy: -48.555
flat angles C4'-P-C4' energy: -44.993
flat angles P-C4'-P energy: -36.868
tors. eta vs tors. theta energy: -55.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -776.584298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.584298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.584298 (E_RNA)
where:
Base-Base interactions energy: -518.311
where: short stacking energy: -245.831
Base-Backbone interact. energy: 0.596
local terms energy: -258.869287
where:
bonds (distance) C4'-P energy: -43.291
bonds (distance) P-C4' energy: -53.606
flat angles C4'-P-C4' energy: -58.842
flat angles P-C4'-P energy: -32.495
tors. eta vs tors. theta energy: -70.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -733.264078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.264078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.264078 (E_RNA)
where:
Base-Base interactions energy: -501.788
where: short stacking energy: -210.606
Base-Backbone interact. energy: -1.376
local terms energy: -230.099730
where:
bonds (distance) C4'-P energy: -44.015
bonds (distance) P-C4' energy: -50.649
flat angles C4'-P-C4' energy: -48.188
flat angles P-C4'-P energy: -30.766
tors. eta vs tors. theta energy: -56.480
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: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -651.243396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.243396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.243396 (E_RNA)
where:
Base-Base interactions energy: -428.828
where: short stacking energy: -215.121
Base-Backbone interact. energy: -0.817
local terms energy: -221.597509
where:
bonds (distance) C4'-P energy: -33.315
bonds (distance) P-C4' energy: -45.074
flat angles C4'-P-C4' energy: -46.594
flat angles P-C4'-P energy: -35.837
tors. eta vs tors. theta energy: -60.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -432.209636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.209636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.209636 (E_RNA)
where:
Base-Base interactions energy: -247.967
where: short stacking energy: -126.001
Base-Backbone interact. energy: -0.034
local terms energy: -184.208687
where:
bonds (distance) C4'-P energy: -44.204
bonds (distance) P-C4' energy: -47.022
flat angles C4'-P-C4' energy: -48.300
flat angles P-C4'-P energy: -25.920
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -405.667197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.667197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.667197 (E_RNA)
where:
Base-Base interactions energy: -239.631
where: short stacking energy: -119.908
Base-Backbone interact. energy: -1.799
local terms energy: -164.237607
where:
bonds (distance) C4'-P energy: -42.985
bonds (distance) P-C4' energy: -37.464
flat angles C4'-P-C4' energy: -42.595
flat angles P-C4'-P energy: -24.213
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -327.188106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.188106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.188106 (E_RNA)
where:
Base-Base interactions energy: -190.260
where: short stacking energy: -94.912
Base-Backbone interact. energy: -0.914
local terms energy: -136.014424
where:
bonds (distance) C4'-P energy: -41.509
bonds (distance) P-C4' energy: -35.344
flat angles C4'-P-C4' energy: -35.567
flat angles P-C4'-P energy: -20.811
tors. eta vs tors. theta energy: -2.784
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: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -233.177199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.177199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.177199 (E_RNA)
where:
Base-Base interactions energy: -92.398
where: short stacking energy: -67.772
Base-Backbone interact. energy: -1.608
local terms energy: -139.171617
where:
bonds (distance) C4'-P energy: -40.628
bonds (distance) P-C4' energy: -49.386
flat angles C4'-P-C4' energy: -27.971
flat angles P-C4'-P energy: -22.982
tors. eta vs tors. theta energy: 1.795
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: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -856.315425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.315425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.315425 (E_RNA)
where:
Base-Base interactions energy: -588.814
where: short stacking energy: -263.149
Base-Backbone interact. energy: -0.460
local terms energy: -267.041731
where:
bonds (distance) C4'-P energy: -52.110
bonds (distance) P-C4' energy: -51.935
flat angles C4'-P-C4' energy: -56.988
flat angles P-C4'-P energy: -32.493
tors. eta vs tors. theta energy: -73.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -799.809769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.809769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.809769 (E_RNA)
where:
Base-Base interactions energy: -548.970
where: short stacking energy: -244.549
Base-Backbone interact. energy: 0.267
local terms energy: -251.106929
where:
bonds (distance) C4'-P energy: -47.179
bonds (distance) P-C4' energy: -50.578
flat angles C4'-P-C4' energy: -54.952
flat angles P-C4'-P energy: -35.108
tors. eta vs tors. theta energy: -63.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -788.331381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.331381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.331381 (E_RNA)
where:
Base-Base interactions energy: -553.662
where: short stacking energy: -216.573
Base-Backbone interact. energy: -0.530
local terms energy: -234.139481
where:
bonds (distance) C4'-P energy: -48.327
bonds (distance) P-C4' energy: -40.279
flat angles C4'-P-C4' energy: -54.722
flat angles P-C4'-P energy: -39.743
tors. eta vs tors. theta energy: -51.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -713.023997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.023997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.023997 (E_RNA)
where:
Base-Base interactions energy: -478.303
where: short stacking energy: -234.372
Base-Backbone interact. energy: -0.054
local terms energy: -234.667250
where:
bonds (distance) C4'-P energy: -39.727
bonds (distance) P-C4' energy: -53.493
flat angles C4'-P-C4' energy: -53.171
flat angles P-C4'-P energy: -26.608
tors. eta vs tors. theta energy: -61.669
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: 5, replica: 5
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -668.663683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.663683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.663683 (E_RNA)
where:
Base-Base interactions energy: -448.880
where: short stacking energy: -184.147
Base-Backbone interact. energy: -1.513
local terms energy: -218.270794
where:
bonds (distance) C4'-P energy: -42.752
bonds (distance) P-C4' energy: -51.780
flat angles C4'-P-C4' energy: -46.234
flat angles P-C4'-P energy: -27.838
tors. eta vs tors. theta energy: -49.666
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: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -647.417948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.417948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.417948 (E_RNA)
where:
Base-Base interactions energy: -426.453
where: short stacking energy: -197.234
Base-Backbone interact. energy: -0.919
local terms energy: -220.045527
where:
bonds (distance) C4'-P energy: -46.047
bonds (distance) P-C4' energy: -49.471
flat angles C4'-P-C4' energy: -47.946
flat angles P-C4'-P energy: -26.466
tors. eta vs tors. theta energy: -50.117
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: 7, replica: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -422.341378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.341378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.341378 (E_RNA)
where:
Base-Base interactions energy: -243.903
where: short stacking energy: -131.980
Base-Backbone interact. energy: -1.554
local terms energy: -176.884015
where:
bonds (distance) C4'-P energy: -43.166
bonds (distance) P-C4' energy: -40.936
flat angles C4'-P-C4' energy: -41.938
flat angles P-C4'-P energy: -29.528
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -428.812366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.812366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.812366 (E_RNA)
where:
Base-Base interactions energy: -258.696
where: short stacking energy: -155.239
Base-Backbone interact. energy: -0.750
local terms energy: -169.366587
where:
bonds (distance) C4'-P energy: -37.033
bonds (distance) P-C4' energy: -44.622
flat angles C4'-P-C4' energy: -42.616
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -33.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -329.878009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.878009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.878009 (E_RNA)
where:
Base-Base interactions energy: -170.301
where: short stacking energy: -89.861
Base-Backbone interact. energy: -0.806
local terms energy: -158.770876
where:
bonds (distance) C4'-P energy: -39.639
bonds (distance) P-C4' energy: -51.432
flat angles C4'-P-C4' energy: -44.112
flat angles P-C4'-P energy: -19.459
tors. eta vs tors. theta energy: -4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -213.044926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.044926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.044926 (E_RNA)
where:
Base-Base interactions energy: -70.911
where: short stacking energy: -70.282
Base-Backbone interact. energy: -1.597
local terms energy: -140.537311
where:
bonds (distance) C4'-P energy: -32.918
bonds (distance) P-C4' energy: -40.706
flat angles C4'-P-C4' energy: -30.353
flat angles P-C4'-P energy: -27.281
tors. eta vs tors. theta energy: -9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -847.023061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.023061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.023061 (E_RNA)
where:
Base-Base interactions energy: -582.709
where: short stacking energy: -263.448
Base-Backbone interact. energy: -0.768
local terms energy: -263.545898
where:
bonds (distance) C4'-P energy: -51.456
bonds (distance) P-C4' energy: -44.225
flat angles C4'-P-C4' energy: -54.828
flat angles P-C4'-P energy: -37.169
tors. eta vs tors. theta energy: -75.868
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: 128
Temperature: 0.950000
Total energy: -786.391208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.391208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.391208 (E_RNA)
where:
Base-Base interactions energy: -545.595
where: short stacking energy: -234.772
Base-Backbone interact. energy: 0.119
local terms energy: -240.914995
where:
bonds (distance) C4'-P energy: -56.131
bonds (distance) P-C4' energy: -44.713
flat angles C4'-P-C4' energy: -54.979
flat angles P-C4'-P energy: -30.023
tors. eta vs tors. theta energy: -55.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -810.530480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.530480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.530480 (E_RNA)
where:
Base-Base interactions energy: -578.888
where: short stacking energy: -212.284
Base-Backbone interact. energy: 0.748
local terms energy: -232.390171
where:
bonds (distance) C4'-P energy: -50.409
bonds (distance) P-C4' energy: -38.046
flat angles C4'-P-C4' energy: -57.619
flat angles P-C4'-P energy: -31.045
tors. eta vs tors. theta energy: -55.272
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: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -727.632185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.632185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.632185 (E_RNA)
where:
Base-Base interactions energy: -485.003
where: short stacking energy: -226.760
Base-Backbone interact. energy: -1.018
local terms energy: -241.611993
where:
bonds (distance) C4'-P energy: -34.288
bonds (distance) P-C4' energy: -47.031
flat angles C4'-P-C4' energy: -51.689
flat angles P-C4'-P energy: -40.209
tors. eta vs tors. theta energy: -68.395
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: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -672.064185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.064185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.064185 (E_RNA)
where:
Base-Base interactions energy: -453.914
where: short stacking energy: -189.754
Base-Backbone interact. energy: -0.324
local terms energy: -217.826204
where:
bonds (distance) C4'-P energy: -44.309
bonds (distance) P-C4' energy: -46.128
flat angles C4'-P-C4' energy: -48.118
flat angles P-C4'-P energy: -29.930
tors. eta vs tors. theta energy: -49.341
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: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -621.605626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.605626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.605626 (E_RNA)
where:
Base-Base interactions energy: -404.263
where: short stacking energy: -196.522
Base-Backbone interact. energy: -0.091
local terms energy: -217.250919
where:
bonds (distance) C4'-P energy: -41.320
bonds (distance) P-C4' energy: -47.658
flat angles C4'-P-C4' energy: -47.891
flat angles P-C4'-P energy: -35.050
tors. eta vs tors. theta energy: -45.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -491.720014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.720014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.720014 (E_RNA)
where:
Base-Base interactions energy: -302.313
where: short stacking energy: -135.804
Base-Backbone interact. energy: -1.447
local terms energy: -187.959549
where:
bonds (distance) C4'-P energy: -35.329
bonds (distance) P-C4' energy: -42.563
flat angles C4'-P-C4' energy: -47.274
flat angles P-C4'-P energy: -33.742
tors. eta vs tors. theta energy: -29.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -416.081545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.081545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.081545 (E_RNA)
where:
Base-Base interactions energy: -241.518
where: short stacking energy: -118.469
Base-Backbone interact. energy: -2.176
local terms energy: -172.387590
where:
bonds (distance) C4'-P energy: -44.093
bonds (distance) P-C4' energy: -42.020
flat angles C4'-P-C4' energy: -39.813
flat angles P-C4'-P energy: -28.409
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -347.571711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.571711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.571711 (E_RNA)
where:
Base-Base interactions energy: -181.191
where: short stacking energy: -112.869
Base-Backbone interact. energy: 1.171
local terms energy: -167.552111
where:
bonds (distance) C4'-P energy: -42.881
bonds (distance) P-C4' energy: -44.815
flat angles C4'-P-C4' energy: -25.248
flat angles P-C4'-P energy: -28.352
tors. eta vs tors. theta energy: -26.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -237.728981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.728981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.728981 (E_RNA)
where:
Base-Base interactions energy: -107.407
where: short stacking energy: -95.820
Base-Backbone interact. energy: -0.052
local terms energy: -130.269651
where:
bonds (distance) C4'-P energy: -37.710
bonds (distance) P-C4' energy: -27.469
flat angles C4'-P-C4' energy: -33.483
flat angles P-C4'-P energy: -27.035
tors. eta vs tors. theta energy: -4.573
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: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -850.222778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.222778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.222778 (E_RNA)
where:
Base-Base interactions energy: -581.758
where: short stacking energy: -264.367
Base-Backbone interact. energy: -1.233
local terms energy: -267.231553
where:
bonds (distance) C4'-P energy: -49.381
bonds (distance) P-C4' energy: -48.015
flat angles C4'-P-C4' energy: -53.712
flat angles P-C4'-P energy: -40.372
tors. eta vs tors. theta energy: -75.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -795.172134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.172134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.172134 (E_RNA)
where:
Base-Base interactions energy: -551.214
where: short stacking energy: -243.442
Base-Backbone interact. energy: -2.045
local terms energy: -241.913141
where:
bonds (distance) C4'-P energy: -46.611
bonds (distance) P-C4' energy: -47.636
flat angles C4'-P-C4' energy: -48.998
flat angles P-C4'-P energy: -39.052
tors. eta vs tors. theta energy: -59.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -802.286558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.286558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.286558 (E_RNA)
where:
Base-Base interactions energy: -584.920
where: short stacking energy: -226.431
Base-Backbone interact. energy: -1.462
local terms energy: -215.904100
where:
bonds (distance) C4'-P energy: -37.517
bonds (distance) P-C4' energy: -46.934
flat angles C4'-P-C4' energy: -51.259
flat angles P-C4'-P energy: -25.358
tors. eta vs tors. theta energy: -54.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -725.754068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.754068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.754068 (E_RNA)
where:
Base-Base interactions energy: -488.657
where: short stacking energy: -231.598
Base-Backbone interact. energy: -0.325
local terms energy: -236.772821
where:
bonds (distance) C4'-P energy: -43.928
bonds (distance) P-C4' energy: -44.300
flat angles C4'-P-C4' energy: -47.011
flat angles P-C4'-P energy: -38.070
tors. eta vs tors. theta energy: -63.465
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: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -675.455834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.455834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.455834 (E_RNA)
where:
Base-Base interactions energy: -462.932
where: short stacking energy: -196.712
Base-Backbone interact. energy: -0.720
local terms energy: -211.803577
where:
bonds (distance) C4'-P energy: -44.756
bonds (distance) P-C4' energy: -40.258
flat angles C4'-P-C4' energy: -42.175
flat angles P-C4'-P energy: -33.699
tors. eta vs tors. theta energy: -50.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -595.978701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.978701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.978701 (E_RNA)
where:
Base-Base interactions energy: -380.705
where: short stacking energy: -182.541
Base-Backbone interact. energy: 0.322
local terms energy: -215.596091
where:
bonds (distance) C4'-P energy: -36.997
bonds (distance) P-C4' energy: -47.487
flat angles C4'-P-C4' energy: -46.722
flat angles P-C4'-P energy: -32.756
tors. eta vs tors. theta energy: -51.633
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: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -518.922032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.922032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.922032 (E_RNA)
where:
Base-Base interactions energy: -327.375
where: short stacking energy: -163.035
Base-Backbone interact. energy: -0.462
local terms energy: -191.085070
where:
bonds (distance) C4'-P energy: -40.845
bonds (distance) P-C4' energy: -41.951
flat angles C4'-P-C4' energy: -48.164
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: -39.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -423.265923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.265923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.265923 (E_RNA)
where:
Base-Base interactions energy: -247.730
where: short stacking energy: -135.063
Base-Backbone interact. energy: 1.500
local terms energy: -177.035779
where:
bonds (distance) C4'-P energy: -47.120
bonds (distance) P-C4' energy: -52.533
flat angles C4'-P-C4' energy: -39.489
flat angles P-C4'-P energy: -20.969
tors. eta vs tors. theta energy: -16.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -378.732344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.732344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.732344 (E_RNA)
where:
Base-Base interactions energy: -220.941
where: short stacking energy: -95.802
Base-Backbone interact. energy: 1.851
local terms energy: -159.642030
where:
bonds (distance) C4'-P energy: -43.832
bonds (distance) P-C4' energy: -44.022
flat angles C4'-P-C4' energy: -35.497
flat angles P-C4'-P energy: -22.625
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -257.791725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.791725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.791725 (E_RNA)
where:
Base-Base interactions energy: -115.877
where: short stacking energy: -81.692
Base-Backbone interact. energy: 1.934
local terms energy: -143.848364
where:
bonds (distance) C4'-P energy: -40.025
bonds (distance) P-C4' energy: -40.837
flat angles C4'-P-C4' energy: -33.558
flat angles P-C4'-P energy: -24.373
tors. eta vs tors. theta energy: -5.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -852.002871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.002871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.002871 (E_RNA)
where:
Base-Base interactions energy: -586.267
where: short stacking energy: -274.109
Base-Backbone interact. energy: -0.012
local terms energy: -265.724296
where:
bonds (distance) C4'-P energy: -42.889
bonds (distance) P-C4' energy: -45.626
flat angles C4'-P-C4' energy: -52.089
flat angles P-C4'-P energy: -42.700
tors. eta vs tors. theta energy: -82.419
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: 10
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -814.484723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.484723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.484723 (E_RNA)
where:
Base-Base interactions energy: -567.047
where: short stacking energy: -237.862
Base-Backbone interact. energy: -1.238
local terms energy: -246.199342
where:
bonds (distance) C4'-P energy: -49.111
bonds (distance) P-C4' energy: -43.334
flat angles C4'-P-C4' energy: -58.756
flat angles P-C4'-P energy: -30.580
tors. eta vs tors. theta energy: -64.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -796.490115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.490115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.490115 (E_RNA)
where:
Base-Base interactions energy: -569.177
where: short stacking energy: -223.790
Base-Backbone interact. energy: 0.811
local terms energy: -228.123603
where:
bonds (distance) C4'-P energy: -45.792
bonds (distance) P-C4' energy: -43.694
flat angles C4'-P-C4' energy: -49.853
flat angles P-C4'-P energy: -34.514
tors. eta vs tors. theta energy: -54.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -736.541177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.541177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.541177 (E_RNA)
where:
Base-Base interactions energy: -482.138
where: short stacking energy: -232.141
Base-Backbone interact. energy: -0.391
local terms energy: -254.012188
where:
bonds (distance) C4'-P energy: -45.498
bonds (distance) P-C4' energy: -46.188
flat angles C4'-P-C4' energy: -53.057
flat angles P-C4'-P energy: -38.652
tors. eta vs tors. theta energy: -70.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -720.267684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.267684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.267684 (E_RNA)
where:
Base-Base interactions energy: -491.418
where: short stacking energy: -210.990
Base-Backbone interact. energy: -2.818
local terms energy: -226.031584
where:
bonds (distance) C4'-P energy: -46.918
bonds (distance) P-C4' energy: -41.015
flat angles C4'-P-C4' energy: -47.081
flat angles P-C4'-P energy: -30.298
tors. eta vs tors. theta energy: -60.720
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: 9
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -595.705055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.705055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.705055 (E_RNA)
where:
Base-Base interactions energy: -385.594
where: short stacking energy: -193.116
Base-Backbone interact. energy: -1.038
local terms energy: -209.073319
where:
bonds (distance) C4'-P energy: -34.679
bonds (distance) P-C4' energy: -45.017
flat angles C4'-P-C4' energy: -51.687
flat angles P-C4'-P energy: -36.999
tors. eta vs tors. theta energy: -40.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -511.237660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.237660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.237660 (E_RNA)
where:
Base-Base interactions energy: -332.038
where: short stacking energy: -147.795
Base-Backbone interact. energy: -1.065
local terms energy: -178.134869
where:
bonds (distance) C4'-P energy: -48.621
bonds (distance) P-C4' energy: -37.400
flat angles C4'-P-C4' energy: -33.829
flat angles P-C4'-P energy: -28.651
tors. eta vs tors. theta energy: -29.634
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: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -416.161730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.161730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.161730 (E_RNA)
where:
Base-Base interactions energy: -250.268
where: short stacking energy: -119.026
Base-Backbone interact. energy: -1.465
local terms energy: -164.428712
where:
bonds (distance) C4'-P energy: -38.991
bonds (distance) P-C4' energy: -39.251
flat angles C4'-P-C4' energy: -35.002
flat angles P-C4'-P energy: -26.784
tors. eta vs tors. theta energy: -24.401
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: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -380.493691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.493691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.493691 (E_RNA)
where:
Base-Base interactions energy: -230.922
where: short stacking energy: -114.868
Base-Backbone interact. energy: -0.155
local terms energy: -149.417171
where:
bonds (distance) C4'-P energy: -26.136
bonds (distance) P-C4' energy: -45.770
flat angles C4'-P-C4' energy: -37.160
flat angles P-C4'-P energy: -20.385
tors. eta vs tors. theta energy: -19.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -230.015663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.015663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.015663 (E_RNA)
where:
Base-Base interactions energy: -90.106
where: short stacking energy: -61.750
Base-Backbone interact. energy: -1.788
local terms energy: -138.121001
where:
bonds (distance) C4'-P energy: -42.074
bonds (distance) P-C4' energy: -35.455
flat angles C4'-P-C4' energy: -42.013
flat angles P-C4'-P energy: -20.566
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -864.121222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.121222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.121222 (E_RNA)
where:
Base-Base interactions energy: -596.390
where: short stacking energy: -269.513
Base-Backbone interact. energy: 0.134
local terms energy: -267.864953
where:
bonds (distance) C4'-P energy: -44.492
bonds (distance) P-C4' energy: -47.625
flat angles C4'-P-C4' energy: -59.089
flat angles P-C4'-P energy: -38.432
tors. eta vs tors. theta energy: -78.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -830.637083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.637083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.637083 (E_RNA)
where:
Base-Base interactions energy: -591.542
where: short stacking energy: -235.971
Base-Backbone interact. energy: -0.597
local terms energy: -238.498427
where:
bonds (distance) C4'-P energy: -44.176
bonds (distance) P-C4' energy: -52.697
flat angles C4'-P-C4' energy: -49.990
flat angles P-C4'-P energy: -37.086
tors. eta vs tors. theta energy: -54.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -811.551444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.551444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.551444 (E_RNA)
where:
Base-Base interactions energy: -561.429
where: short stacking energy: -231.654
Base-Backbone interact. energy: -0.934
local terms energy: -249.188856
where:
bonds (distance) C4'-P energy: -47.956
bonds (distance) P-C4' energy: -52.392
flat angles C4'-P-C4' energy: -53.333
flat angles P-C4'-P energy: -36.718
tors. eta vs tors. theta energy: -58.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -737.056285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.056285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.056285 (E_RNA)
where:
Base-Base interactions energy: -496.624
where: short stacking energy: -250.426
Base-Backbone interact. energy: -0.774
local terms energy: -239.659157
where:
bonds (distance) C4'-P energy: -41.898
bonds (distance) P-C4' energy: -43.720
flat angles C4'-P-C4' energy: -48.771
flat angles P-C4'-P energy: -31.992
tors. eta vs tors. theta energy: -73.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -697.282014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.282014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.282014 (E_RNA)
where:
Base-Base interactions energy: -481.757
where: short stacking energy: -203.571
Base-Backbone interact. energy: -0.767
local terms energy: -214.758321
where:
bonds (distance) C4'-P energy: -41.633
bonds (distance) P-C4' energy: -39.393
flat angles C4'-P-C4' energy: -53.064
flat angles P-C4'-P energy: -32.680
tors. eta vs tors. theta energy: -47.988
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: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -612.881115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.881115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.881115 (E_RNA)
where:
Base-Base interactions energy: -413.244
where: short stacking energy: -202.800
Base-Backbone interact. energy: -0.148
local terms energy: -199.489273
where:
bonds (distance) C4'-P energy: -44.981
bonds (distance) P-C4' energy: -37.549
flat angles C4'-P-C4' energy: -48.631
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -52.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -515.885152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.885152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.885152 (E_RNA)
where:
Base-Base interactions energy: -314.730
where: short stacking energy: -165.882
Base-Backbone interact. energy: -1.556
local terms energy: -199.598825
where:
bonds (distance) C4'-P energy: -43.258
bonds (distance) P-C4' energy: -43.461
flat angles C4'-P-C4' energy: -49.122
flat angles P-C4'-P energy: -28.156
tors. eta vs tors. theta energy: -35.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -431.901332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.901332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.901332 (E_RNA)
where:
Base-Base interactions energy: -253.889
where: short stacking energy: -131.009
Base-Backbone interact. energy: -3.401
local terms energy: -174.611623
where:
bonds (distance) C4'-P energy: -49.099
bonds (distance) P-C4' energy: -46.920
flat angles C4'-P-C4' energy: -40.376
flat angles P-C4'-P energy: -21.283
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -322.789668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.789668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.789668 (E_RNA)
where:
Base-Base interactions energy: -182.846
where: short stacking energy: -90.584
Base-Backbone interact. energy: -1.057
local terms energy: -138.886245
where:
bonds (distance) C4'-P energy: -34.834
bonds (distance) P-C4' energy: -55.073
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -5.213
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: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -227.294033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.294033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.294033 (E_RNA)
where:
Base-Base interactions energy: -78.354
where: short stacking energy: -60.346
Base-Backbone interact. energy: -0.426
local terms energy: -148.514642
where:
bonds (distance) C4'-P energy: -50.089
bonds (distance) P-C4' energy: -44.703
flat angles C4'-P-C4' energy: -29.786
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: 1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -848.601960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.601960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.601960 (E_RNA)
where:
Base-Base interactions energy: -608.028
where: short stacking energy: -245.077
Base-Backbone interact. energy: -1.809
local terms energy: -238.765330
where:
bonds (distance) C4'-P energy: -48.966
bonds (distance) P-C4' energy: -38.022
flat angles C4'-P-C4' energy: -55.328
flat angles P-C4'-P energy: -38.156
tors. eta vs tors. theta energy: -58.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -837.402054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.402054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.402054 (E_RNA)
where:
Base-Base interactions energy: -567.821
where: short stacking energy: -261.397
Base-Backbone interact. energy: -0.690
local terms energy: -268.890526
where:
bonds (distance) C4'-P energy: -58.025
bonds (distance) P-C4' energy: -49.216
flat angles C4'-P-C4' energy: -47.451
flat angles P-C4'-P energy: -39.417
tors. eta vs tors. theta energy: -74.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -829.038445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.038445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.038445 (E_RNA)
where:
Base-Base interactions energy: -584.366
where: short stacking energy: -224.671
Base-Backbone interact. energy: -1.425
local terms energy: -243.248151
where:
bonds (distance) C4'-P energy: -43.689
bonds (distance) P-C4' energy: -50.275
flat angles C4'-P-C4' energy: -51.923
flat angles P-C4'-P energy: -37.993
tors. eta vs tors. theta energy: -59.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -718.515929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.515929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.515929 (E_RNA)
where:
Base-Base interactions energy: -485.062
where: short stacking energy: -229.785
Base-Backbone interact. energy: -0.625
local terms energy: -232.828913
where:
bonds (distance) C4'-P energy: -41.430
bonds (distance) P-C4' energy: -40.742
flat angles C4'-P-C4' energy: -45.624
flat angles P-C4'-P energy: -38.893
tors. eta vs tors. theta energy: -66.140
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: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -716.473205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.473205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.473205 (E_RNA)
where:
Base-Base interactions energy: -478.992
where: short stacking energy: -212.001
Base-Backbone interact. energy: -1.069
local terms energy: -236.411866
where:
bonds (distance) C4'-P energy: -50.299
bonds (distance) P-C4' energy: -42.755
flat angles C4'-P-C4' energy: -48.075
flat angles P-C4'-P energy: -40.241
tors. eta vs tors. theta energy: -55.042
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: 6, replica: 9
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -624.845963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.845963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.845963 (E_RNA)
where:
Base-Base interactions energy: -401.858
where: short stacking energy: -185.219
Base-Backbone interact. energy: -0.877
local terms energy: -222.110907
where:
bonds (distance) C4'-P energy: -50.793
bonds (distance) P-C4' energy: -42.179
flat angles C4'-P-C4' energy: -50.444
flat angles P-C4'-P energy: -31.748
tors. eta vs tors. theta energy: -46.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -453.593715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.593715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.593715 (E_RNA)
where:
Base-Base interactions energy: -268.348
where: short stacking energy: -143.359
Base-Backbone interact. energy: 1.325
local terms energy: -186.570720
where:
bonds (distance) C4'-P energy: -47.562
bonds (distance) P-C4' energy: -37.533
flat angles C4'-P-C4' energy: -42.710
flat angles P-C4'-P energy: -28.064
tors. eta vs tors. theta energy: -30.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -509.790445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.790445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.790445 (E_RNA)
where:
Base-Base interactions energy: -320.440
where: short stacking energy: -140.152
Base-Backbone interact. energy: 1.243
local terms energy: -190.593961
where:
bonds (distance) C4'-P energy: -46.388
bonds (distance) P-C4' energy: -49.912
flat angles C4'-P-C4' energy: -43.986
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -30.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -325.678725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.678725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.678725 (E_RNA)
where:
Base-Base interactions energy: -177.329
where: short stacking energy: -92.866
Base-Backbone interact. energy: -0.631
local terms energy: -147.718548
where:
bonds (distance) C4'-P energy: -41.685
bonds (distance) P-C4' energy: -44.522
flat angles C4'-P-C4' energy: -33.834
flat angles P-C4'-P energy: -22.626
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -236.640814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.640814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.640814 (E_RNA)
where:
Base-Base interactions energy: -96.277
where: short stacking energy: -71.354
Base-Backbone interact. energy: -1.159
local terms energy: -139.204092
where:
bonds (distance) C4'-P energy: -35.168
bonds (distance) P-C4' energy: -44.767
flat angles C4'-P-C4' energy: -39.136
flat angles P-C4'-P energy: -24.870
tors. eta vs tors. theta energy: 4.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -833.279956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.279956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.279956 (E_RNA)
where:
Base-Base interactions energy: -600.144
where: short stacking energy: -246.092
Base-Backbone interact. energy: 1.869
local terms energy: -235.004593
where:
bonds (distance) C4'-P energy: -36.622
bonds (distance) P-C4' energy: -54.691
flat angles C4'-P-C4' energy: -52.527
flat angles P-C4'-P energy: -31.847
tors. eta vs tors. theta energy: -59.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -837.160064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.160064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.160064 (E_RNA)
where:
Base-Base interactions energy: -591.142
where: short stacking energy: -243.297
Base-Backbone interact. energy: 0.559
local terms energy: -246.576561
where:
bonds (distance) C4'-P energy: -51.926
bonds (distance) P-C4' energy: -42.820
flat angles C4'-P-C4' energy: -56.382
flat angles P-C4'-P energy: -36.002
tors. eta vs tors. theta energy: -59.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -805.248166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.248166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.248166 (E_RNA)
where:
Base-Base interactions energy: -552.654
where: short stacking energy: -257.931
Base-Backbone interact. energy: 0.344
local terms energy: -252.938710
where:
bonds (distance) C4'-P energy: -44.579
bonds (distance) P-C4' energy: -43.273
flat angles C4'-P-C4' energy: -52.832
flat angles P-C4'-P energy: -36.121
tors. eta vs tors. theta energy: -76.134
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: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -693.875589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.875589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.875589 (E_RNA)
where:
Base-Base interactions energy: -475.059
where: short stacking energy: -188.486
Base-Backbone interact. energy: -1.689
local terms energy: -217.127038
where:
bonds (distance) C4'-P energy: -45.644
bonds (distance) P-C4' energy: -45.224
flat angles C4'-P-C4' energy: -45.292
flat angles P-C4'-P energy: -32.787
tors. eta vs tors. theta energy: -48.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -708.814331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.814331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.814331 (E_RNA)
where:
Base-Base interactions energy: -475.571
where: short stacking energy: -205.801
Base-Backbone interact. energy: -1.365
local terms energy: -231.878074
where:
bonds (distance) C4'-P energy: -50.183
bonds (distance) P-C4' energy: -36.494
flat angles C4'-P-C4' energy: -52.942
flat angles P-C4'-P energy: -37.259
tors. eta vs tors. theta energy: -55.001
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: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -604.895765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.895765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.895765 (E_RNA)
where:
Base-Base interactions energy: -385.650
where: short stacking energy: -182.239
Base-Backbone interact. energy: -1.887
local terms energy: -217.358316
where:
bonds (distance) C4'-P energy: -49.175
bonds (distance) P-C4' energy: -40.790
flat angles C4'-P-C4' energy: -52.536
flat angles P-C4'-P energy: -35.865
tors. eta vs tors. theta energy: -38.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -468.733615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.733615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.733615 (E_RNA)
where:
Base-Base interactions energy: -275.755
where: short stacking energy: -145.593
Base-Backbone interact. energy: -0.446
local terms energy: -192.533232
where:
bonds (distance) C4'-P energy: -37.901
bonds (distance) P-C4' energy: -47.968
flat angles C4'-P-C4' energy: -50.277
flat angles P-C4'-P energy: -34.609
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -464.603798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.603798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.603798 (E_RNA)
where:
Base-Base interactions energy: -281.778
where: short stacking energy: -123.194
Base-Backbone interact. energy: 0.143
local terms energy: -182.967872
where:
bonds (distance) C4'-P energy: -43.274
bonds (distance) P-C4' energy: -44.913
flat angles C4'-P-C4' energy: -38.191
flat angles P-C4'-P energy: -32.559
tors. eta vs tors. theta energy: -24.031
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: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -324.131821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.131821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.131821 (E_RNA)
where:
Base-Base interactions energy: -163.642
where: short stacking energy: -99.925
Base-Backbone interact. energy: -0.765
local terms energy: -159.725059
where:
bonds (distance) C4'-P energy: -39.333
bonds (distance) P-C4' energy: -50.367
flat angles C4'-P-C4' energy: -44.509
flat angles P-C4'-P energy: -18.825
tors. eta vs tors. theta energy: -6.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -217.025306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.025306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.025306 (E_RNA)
where:
Base-Base interactions energy: -94.345
where: short stacking energy: -77.004
Base-Backbone interact. energy: -0.066
local terms energy: -122.615078
where:
bonds (distance) C4'-P energy: -38.298
bonds (distance) P-C4' energy: -36.097
flat angles C4'-P-C4' energy: -29.331
flat angles P-C4'-P energy: -22.205
tors. eta vs tors. theta energy: 3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -833.173246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.173246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.173246 (E_RNA)
where:
Base-Base interactions energy: -591.969
where: short stacking energy: -231.539
Base-Backbone interact. energy: -2.354
local terms energy: -238.850395
where:
bonds (distance) C4'-P energy: -51.238
bonds (distance) P-C4' energy: -37.422
flat angles C4'-P-C4' energy: -51.596
flat angles P-C4'-P energy: -40.748
tors. eta vs tors. theta energy: -57.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -839.116539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.116539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.116539 (E_RNA)
where:
Base-Base interactions energy: -588.480
where: short stacking energy: -241.639
Base-Backbone interact. energy: -1.534
local terms energy: -249.102279
where:
bonds (distance) C4'-P energy: -48.094
bonds (distance) P-C4' energy: -52.449
flat angles C4'-P-C4' energy: -54.965
flat angles P-C4'-P energy: -34.410
tors. eta vs tors. theta energy: -59.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -818.014396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.014396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.014396 (E_RNA)
where:
Base-Base interactions energy: -557.394
where: short stacking energy: -266.852
Base-Backbone interact. energy: -0.960
local terms energy: -259.661252
where:
bonds (distance) C4'-P energy: -48.412
bonds (distance) P-C4' energy: -37.448
flat angles C4'-P-C4' energy: -54.007
flat angles P-C4'-P energy: -43.117
tors. eta vs tors. theta energy: -76.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -705.954124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.954124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.954124 (E_RNA)
where:
Base-Base interactions energy: -476.347
where: short stacking energy: -205.704
Base-Backbone interact. energy: 1.231
local terms energy: -230.838238
where:
bonds (distance) C4'-P energy: -46.884
bonds (distance) P-C4' energy: -49.691
flat angles C4'-P-C4' energy: -49.386
flat angles P-C4'-P energy: -27.745
tors. eta vs tors. theta energy: -57.131
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: 134
Temperature: 1.100000
Total energy: -681.629092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.629092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.629092 (E_RNA)
where:
Base-Base interactions energy: -455.811
where: short stacking energy: -211.937
Base-Backbone interact. energy: -0.750
local terms energy: -225.067216
where:
bonds (distance) C4'-P energy: -41.736
bonds (distance) P-C4' energy: -44.733
flat angles C4'-P-C4' energy: -51.695
flat angles P-C4'-P energy: -24.815
tors. eta vs tors. theta energy: -62.087
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: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -583.437087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.437087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.437087 (E_RNA)
where:
Base-Base interactions energy: -381.295
where: short stacking energy: -180.922
Base-Backbone interact. energy: -0.767
local terms energy: -201.375157
where:
bonds (distance) C4'-P energy: -45.343
bonds (distance) P-C4' energy: -45.539
flat angles C4'-P-C4' energy: -45.147
flat angles P-C4'-P energy: -28.197
tors. eta vs tors. theta energy: -37.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -513.136341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.136341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.136341 (E_RNA)
where:
Base-Base interactions energy: -320.276
where: short stacking energy: -156.447
Base-Backbone interact. energy: -1.380
local terms energy: -191.480577
where:
bonds (distance) C4'-P energy: -43.513
bonds (distance) P-C4' energy: -39.112
flat angles C4'-P-C4' energy: -39.251
flat angles P-C4'-P energy: -31.425
tors. eta vs tors. theta energy: -38.180
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: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -433.866685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.866685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.866685 (E_RNA)
where:
Base-Base interactions energy: -252.067
where: short stacking energy: -132.993
Base-Backbone interact. energy: 0.011
local terms energy: -181.810359
where:
bonds (distance) C4'-P energy: -39.535
bonds (distance) P-C4' energy: -45.277
flat angles C4'-P-C4' energy: -43.976
flat angles P-C4'-P energy: -28.814
tors. eta vs tors. theta energy: -24.209
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: 3
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -327.116376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.116376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.116376 (E_RNA)
where:
Base-Base interactions energy: -177.260
where: short stacking energy: -94.355
Base-Backbone interact. energy: 2.428
local terms energy: -152.283675
where:
bonds (distance) C4'-P energy: -36.191
bonds (distance) P-C4' energy: -55.045
flat angles C4'-P-C4' energy: -35.094
flat angles P-C4'-P energy: -18.425
tors. eta vs tors. theta energy: -7.528
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: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -212.301002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.301002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.301002 (E_RNA)
where:
Base-Base interactions energy: -88.796
where: short stacking energy: -76.715
Base-Backbone interact. energy: 4.604
local terms energy: -128.108567
where:
bonds (distance) C4'-P energy: -33.499
bonds (distance) P-C4' energy: -43.079
flat angles C4'-P-C4' energy: -37.957
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: 0.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -846.202607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.202607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.202607 (E_RNA)
where:
Base-Base interactions energy: -606.990
where: short stacking energy: -251.803
Base-Backbone interact. energy: -0.165
local terms energy: -239.047390
where:
bonds (distance) C4'-P energy: -49.480
bonds (distance) P-C4' energy: -42.979
flat angles C4'-P-C4' energy: -53.263
flat angles P-C4'-P energy: -33.613
tors. eta vs tors. theta energy: -59.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -839.535142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.535142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.535142 (E_RNA)
where:
Base-Base interactions energy: -608.392
where: short stacking energy: -225.558
Base-Backbone interact. energy: -0.402
local terms energy: -230.741617
where:
bonds (distance) C4'-P energy: -51.183
bonds (distance) P-C4' energy: -56.501
flat angles C4'-P-C4' energy: -48.707
flat angles P-C4'-P energy: -27.639
tors. eta vs tors. theta energy: -46.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -805.184778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.184778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.184778 (E_RNA)
where:
Base-Base interactions energy: -558.605
where: short stacking energy: -252.836
Base-Backbone interact. energy: -0.916
local terms energy: -245.663389
where:
bonds (distance) C4'-P energy: -35.395
bonds (distance) P-C4' energy: -50.750
flat angles C4'-P-C4' energy: -51.502
flat angles P-C4'-P energy: -36.207
tors. eta vs tors. theta energy: -71.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -710.279762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.279762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.279762 (E_RNA)
where:
Base-Base interactions energy: -474.401
where: short stacking energy: -210.489
Base-Backbone interact. energy: 0.266
local terms energy: -236.144698
where:
bonds (distance) C4'-P energy: -45.219
bonds (distance) P-C4' energy: -43.519
flat angles C4'-P-C4' energy: -44.230
flat angles P-C4'-P energy: -36.920
tors. eta vs tors. theta energy: -66.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -689.183895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.183895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.183895 (E_RNA)
where:
Base-Base interactions energy: -467.025
where: short stacking energy: -198.664
Base-Backbone interact. energy: 0.391
local terms energy: -222.549724
where:
bonds (distance) C4'-P energy: -44.436
bonds (distance) P-C4' energy: -47.073
flat angles C4'-P-C4' energy: -44.951
flat angles P-C4'-P energy: -32.356
tors. eta vs tors. theta energy: -53.734
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: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -610.436364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.436364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.436364 (E_RNA)
where:
Base-Base interactions energy: -398.428
where: short stacking energy: -178.827
Base-Backbone interact. energy: -1.049
local terms energy: -210.959029
where:
bonds (distance) C4'-P energy: -38.689
bonds (distance) P-C4' energy: -51.165
flat angles C4'-P-C4' energy: -53.011
flat angles P-C4'-P energy: -25.880
tors. eta vs tors. theta energy: -42.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -507.344866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.344866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.344866 (E_RNA)
where:
Base-Base interactions energy: -308.082
where: short stacking energy: -152.690
Base-Backbone interact. energy: 1.628
local terms energy: -200.890678
where:
bonds (distance) C4'-P energy: -48.812
bonds (distance) P-C4' energy: -47.940
flat angles C4'-P-C4' energy: -48.233
flat angles P-C4'-P energy: -23.841
tors. eta vs tors. theta energy: -32.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -441.197889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.197889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.197889 (E_RNA)
where:
Base-Base interactions energy: -254.903
where: short stacking energy: -128.453
Base-Backbone interact. energy: 3.717
local terms energy: -190.011627
where:
bonds (distance) C4'-P energy: -41.001
bonds (distance) P-C4' energy: -42.725
flat angles C4'-P-C4' energy: -52.398
flat angles P-C4'-P energy: -31.737
tors. eta vs tors. theta energy: -22.149
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: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -315.130485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.130485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.130485 (E_RNA)
where:
Base-Base interactions energy: -162.077
where: short stacking energy: -99.289
Base-Backbone interact. energy: -1.089
local terms energy: -151.964234
where:
bonds (distance) C4'-P energy: -32.932
bonds (distance) P-C4' energy: -42.077
flat angles C4'-P-C4' energy: -41.458
flat angles P-C4'-P energy: -21.372
tors. eta vs tors. theta energy: -14.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -220.290086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.290086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.290086 (E_RNA)
where:
Base-Base interactions energy: -88.626
where: short stacking energy: -80.747
Base-Backbone interact. energy: -1.414
local terms energy: -130.250020
where:
bonds (distance) C4'-P energy: -29.150
bonds (distance) P-C4' energy: -39.103
flat angles C4'-P-C4' energy: -32.420
flat angles P-C4'-P energy: -22.323
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -860.789715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.789715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.789715 (E_RNA)
where:
Base-Base interactions energy: -610.890
where: short stacking energy: -241.890
Base-Backbone interact. energy: -0.909
local terms energy: -248.990484
where:
bonds (distance) C4'-P energy: -47.795
bonds (distance) P-C4' energy: -49.234
flat angles C4'-P-C4' energy: -57.808
flat angles P-C4'-P energy: -36.173
tors. eta vs tors. theta energy: -57.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -828.954017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.954017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.954017 (E_RNA)
where:
Base-Base interactions energy: -587.987
where: short stacking energy: -235.401
Base-Backbone interact. energy: 0.354
local terms energy: -241.320913
where:
bonds (distance) C4'-P energy: -36.907
bonds (distance) P-C4' energy: -52.762
flat angles C4'-P-C4' energy: -51.975
flat angles P-C4'-P energy: -39.096
tors. eta vs tors. theta energy: -60.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -828.346578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.346578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.346578 (E_RNA)
where:
Base-Base interactions energy: -572.465
where: short stacking energy: -256.180
Base-Backbone interact. energy: -1.144
local terms energy: -254.737216
where:
bonds (distance) C4'-P energy: -50.635
bonds (distance) P-C4' energy: -39.525
flat angles C4'-P-C4' energy: -53.224
flat angles P-C4'-P energy: -34.998
tors. eta vs tors. theta energy: -76.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -745.704372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.704372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.704372 (E_RNA)
where:
Base-Base interactions energy: -496.917
where: short stacking energy: -240.646
Base-Backbone interact. energy: -1.694
local terms energy: -247.093485
where:
bonds (distance) C4'-P energy: -33.180
bonds (distance) P-C4' energy: -56.198
flat angles C4'-P-C4' energy: -48.796
flat angles P-C4'-P energy: -35.293
tors. eta vs tors. theta energy: -73.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -703.233944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.233944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.233944 (E_RNA)
where:
Base-Base interactions energy: -475.782
where: short stacking energy: -196.112
Base-Backbone interact. energy: 0.561
local terms energy: -228.013019
where:
bonds (distance) C4'-P energy: -45.872
bonds (distance) P-C4' energy: -48.927
flat angles C4'-P-C4' energy: -45.932
flat angles P-C4'-P energy: -34.752
tors. eta vs tors. theta energy: -52.531
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: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -592.535001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.535001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.535001 (E_RNA)
where:
Base-Base interactions energy: -404.993
where: short stacking energy: -187.848
Base-Backbone interact. energy: 0.255
local terms energy: -187.796433
where:
bonds (distance) C4'-P energy: -48.804
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -44.919
flat angles P-C4'-P energy: -32.732
tors. eta vs tors. theta energy: -40.321
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: 136
Temperature: 1.200000
Total energy: -436.077165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.077165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.077165 (E_RNA)
where:
Base-Base interactions energy: -266.230
where: short stacking energy: -152.857
Base-Backbone interact. energy: 1.072
local terms energy: -170.918250
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -45.144
flat angles C4'-P-C4' energy: -43.527
flat angles P-C4'-P energy: -25.563
tors. eta vs tors. theta energy: -28.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -462.209854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.209854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.209854 (E_RNA)
where:
Base-Base interactions energy: -273.899
where: short stacking energy: -139.942
Base-Backbone interact. energy: -0.254
local terms energy: -188.056617
where:
bonds (distance) C4'-P energy: -45.089
bonds (distance) P-C4' energy: -50.983
flat angles C4'-P-C4' energy: -41.560
flat angles P-C4'-P energy: -23.036
tors. eta vs tors. theta energy: -27.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -308.940948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.940948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.940948 (E_RNA)
where:
Base-Base interactions energy: -157.050
where: short stacking energy: -98.278
Base-Backbone interact. energy: -1.181
local terms energy: -150.709347
where:
bonds (distance) C4'-P energy: -38.477
bonds (distance) P-C4' energy: -37.336
flat angles C4'-P-C4' energy: -38.387
flat angles P-C4'-P energy: -32.332
tors. eta vs tors. theta energy: -4.177
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: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -218.986460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.986460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.986460 (E_RNA)
where:
Base-Base interactions energy: -97.303
where: short stacking energy: -94.442
Base-Backbone interact. energy: -1.102
local terms energy: -120.581076
where:
bonds (distance) C4'-P energy: -29.912
bonds (distance) P-C4' energy: -38.261
flat angles C4'-P-C4' energy: -26.167
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -871.661107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.661107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.661107 (E_RNA)
where:
Base-Base interactions energy: -624.880
where: short stacking energy: -237.940
Base-Backbone interact. energy: 1.296
local terms energy: -248.077837
where:
bonds (distance) C4'-P energy: -48.225
bonds (distance) P-C4' energy: -51.769
flat angles C4'-P-C4' energy: -56.890
flat angles P-C4'-P energy: -33.857
tors. eta vs tors. theta energy: -57.336
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: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -819.886266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.886266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.886266 (E_RNA)
where:
Base-Base interactions energy: -584.135
where: short stacking energy: -231.703
Base-Backbone interact. energy: -3.758
local terms energy: -231.993120
where:
bonds (distance) C4'-P energy: -41.322
bonds (distance) P-C4' energy: -49.585
flat angles C4'-P-C4' energy: -51.998
flat angles P-C4'-P energy: -34.531
tors. eta vs tors. theta energy: -54.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -803.474352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.474352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.474352 (E_RNA)
where:
Base-Base interactions energy: -538.635
where: short stacking energy: -250.458
Base-Backbone interact. energy: -2.555
local terms energy: -262.284509
where:
bonds (distance) C4'-P energy: -46.261
bonds (distance) P-C4' energy: -47.906
flat angles C4'-P-C4' energy: -55.701
flat angles P-C4'-P energy: -33.842
tors. eta vs tors. theta energy: -78.573
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: 6
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -720.609791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.609791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.609791 (E_RNA)
where:
Base-Base interactions energy: -500.299
where: short stacking energy: -237.565
Base-Backbone interact. energy: -0.905
local terms energy: -219.405916
where:
bonds (distance) C4'-P energy: -35.077
bonds (distance) P-C4' energy: -42.265
flat angles C4'-P-C4' energy: -49.589
flat angles P-C4'-P energy: -25.136
tors. eta vs tors. theta energy: -67.337
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: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -685.828690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.828690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.828690 (E_RNA)
where:
Base-Base interactions energy: -475.190
where: short stacking energy: -189.742
Base-Backbone interact. energy: 3.955
local terms energy: -214.593993
where:
bonds (distance) C4'-P energy: -51.674
bonds (distance) P-C4' energy: -42.119
flat angles C4'-P-C4' energy: -46.420
flat angles P-C4'-P energy: -35.526
tors. eta vs tors. theta energy: -38.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -608.515051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.515051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.515051 (E_RNA)
where:
Base-Base interactions energy: -395.033
where: short stacking energy: -197.240
Base-Backbone interact. energy: -1.014
local terms energy: -212.468247
where:
bonds (distance) C4'-P energy: -42.354
bonds (distance) P-C4' energy: -38.372
flat angles C4'-P-C4' energy: -45.489
flat angles P-C4'-P energy: -29.517
tors. eta vs tors. theta energy: -56.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -434.510091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.510091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.510091 (E_RNA)
where:
Base-Base interactions energy: -259.707
where: short stacking energy: -152.046
Base-Backbone interact. energy: -0.628
local terms energy: -174.175480
where:
bonds (distance) C4'-P energy: -45.804
bonds (distance) P-C4' energy: -42.912
flat angles C4'-P-C4' energy: -37.017
flat angles P-C4'-P energy: -24.756
tors. eta vs tors. theta energy: -23.686
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: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -449.881522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.881522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.881522 (E_RNA)
where:
Base-Base interactions energy: -272.955
where: short stacking energy: -125.353
Base-Backbone interact. energy: 0.027
local terms energy: -176.954140
where:
bonds (distance) C4'-P energy: -36.369
bonds (distance) P-C4' energy: -48.291
flat angles C4'-P-C4' energy: -37.308
flat angles P-C4'-P energy: -31.519
tors. eta vs tors. theta energy: -23.466
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: 3
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -314.021583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.021583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.021583 (E_RNA)
where:
Base-Base interactions energy: -176.315
where: short stacking energy: -81.619
Base-Backbone interact. energy: 0.722
local terms energy: -138.428636
where:
bonds (distance) C4'-P energy: -36.988
bonds (distance) P-C4' energy: -45.722
flat angles C4'-P-C4' energy: -39.622
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: 2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -249.529752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.529752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.529752 (E_RNA)
where:
Base-Base interactions energy: -107.709
where: short stacking energy: -69.228
Base-Backbone interact. energy: -0.180
local terms energy: -141.640768
where:
bonds (distance) C4'-P energy: -38.724
bonds (distance) P-C4' energy: -40.224
flat angles C4'-P-C4' energy: -33.876
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -9.882
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: 1, replica: 10
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -866.868061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.868061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.868061 (E_RNA)
where:
Base-Base interactions energy: -617.793
where: short stacking energy: -249.521
Base-Backbone interact. energy: 0.620
local terms energy: -249.694887
where:
bonds (distance) C4'-P energy: -48.223
bonds (distance) P-C4' energy: -52.851
flat angles C4'-P-C4' energy: -55.174
flat angles P-C4'-P energy: -35.988
tors. eta vs tors. theta energy: -57.458
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: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -823.619225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.619225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.619225 (E_RNA)
where:
Base-Base interactions energy: -580.683
where: short stacking energy: -218.844
Base-Backbone interact. energy: -1.927
local terms energy: -241.009403
where:
bonds (distance) C4'-P energy: -50.775
bonds (distance) P-C4' energy: -45.255
flat angles C4'-P-C4' energy: -55.246
flat angles P-C4'-P energy: -30.016
tors. eta vs tors. theta energy: -59.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -813.173735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.173735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.173735 (E_RNA)
where:
Base-Base interactions energy: -564.977
where: short stacking energy: -239.630
Base-Backbone interact. energy: -0.682
local terms energy: -247.514732
where:
bonds (distance) C4'-P energy: -43.447
bonds (distance) P-C4' energy: -50.224
flat angles C4'-P-C4' energy: -51.281
flat angles P-C4'-P energy: -32.272
tors. eta vs tors. theta energy: -70.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -752.418702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.418702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.418702 (E_RNA)
where:
Base-Base interactions energy: -500.614
where: short stacking energy: -235.176
Base-Backbone interact. energy: -1.163
local terms energy: -250.642225
where:
bonds (distance) C4'-P energy: -49.718
bonds (distance) P-C4' energy: -45.793
flat angles C4'-P-C4' energy: -57.591
flat angles P-C4'-P energy: -26.428
tors. eta vs tors. theta energy: -71.112
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: 138
Temperature: 1.100000
Total energy: -665.437960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.437960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.437960 (E_RNA)
where:
Base-Base interactions energy: -455.862
where: short stacking energy: -185.871
Base-Backbone interact. energy: -0.741
local terms energy: -208.834447
where:
bonds (distance) C4'-P energy: -45.139
bonds (distance) P-C4' energy: -41.945
flat angles C4'-P-C4' energy: -48.371
flat angles P-C4'-P energy: -24.264
tors. eta vs tors. theta energy: -49.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -615.490726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.490726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.490726 (E_RNA)
where:
Base-Base interactions energy: -411.472
where: short stacking energy: -190.055
Base-Backbone interact. energy: -0.486
local terms energy: -203.531818
where:
bonds (distance) C4'-P energy: -40.706
bonds (distance) P-C4' energy: -43.244
flat angles C4'-P-C4' energy: -47.696
flat angles P-C4'-P energy: -24.940
tors. eta vs tors. theta energy: -46.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -483.134974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.134974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.134974 (E_RNA)
where:
Base-Base interactions energy: -293.265
where: short stacking energy: -139.270
Base-Backbone interact. energy: -0.894
local terms energy: -188.976357
where:
bonds (distance) C4'-P energy: -43.730
bonds (distance) P-C4' energy: -43.414
flat angles C4'-P-C4' energy: -44.844
flat angles P-C4'-P energy: -31.935
tors. eta vs tors. theta energy: -25.053
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: 8, replica: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -412.583040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.583040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.583040 (E_RNA)
where:
Base-Base interactions energy: -253.974
where: short stacking energy: -145.884
Base-Backbone interact. energy: -0.220
local terms energy: -158.389323
where:
bonds (distance) C4'-P energy: -31.115
bonds (distance) P-C4' energy: -32.459
flat angles C4'-P-C4' energy: -37.995
flat angles P-C4'-P energy: -29.830
tors. eta vs tors. theta energy: -26.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -323.195371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.195371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.195371 (E_RNA)
where:
Base-Base interactions energy: -172.266
where: short stacking energy: -110.715
Base-Backbone interact. energy: 0.986
local terms energy: -151.914829
where:
bonds (distance) C4'-P energy: -33.842
bonds (distance) P-C4' energy: -36.507
flat angles C4'-P-C4' energy: -47.992
flat angles P-C4'-P energy: -21.050
tors. eta vs tors. theta energy: -12.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -243.668231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.668231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.668231 (E_RNA)
where:
Base-Base interactions energy: -114.351
where: short stacking energy: -69.224
Base-Backbone interact. energy: -2.252
local terms energy: -127.065762
where:
bonds (distance) C4'-P energy: -44.547
bonds (distance) P-C4' energy: -41.352
flat angles C4'-P-C4' energy: -25.254
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: 3.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -867.893420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.893420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.893420 (E_RNA)
where:
Base-Base interactions energy: -602.989
where: short stacking energy: -240.522
Base-Backbone interact. energy: -3.507
local terms energy: -261.397549
where:
bonds (distance) C4'-P energy: -48.690
bonds (distance) P-C4' energy: -48.348
flat angles C4'-P-C4' energy: -61.446
flat angles P-C4'-P energy: -40.861
tors. eta vs tors. theta energy: -62.052
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: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -815.404300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.404300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.404300 (E_RNA)
where:
Base-Base interactions energy: -545.216
where: short stacking energy: -236.009
Base-Backbone interact. energy: 1.066
local terms energy: -271.254361
where:
bonds (distance) C4'-P energy: -57.283
bonds (distance) P-C4' energy: -51.427
flat angles C4'-P-C4' energy: -57.445
flat angles P-C4'-P energy: -36.827
tors. eta vs tors. theta energy: -68.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -793.295593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.295593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.295593 (E_RNA)
where:
Base-Base interactions energy: -556.634
where: short stacking energy: -231.711
Base-Backbone interact. energy: -2.501
local terms energy: -234.160404
where:
bonds (distance) C4'-P energy: -41.031
bonds (distance) P-C4' energy: -46.251
flat angles C4'-P-C4' energy: -52.909
flat angles P-C4'-P energy: -34.775
tors. eta vs tors. theta energy: -59.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -767.881811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.881811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.881811 (E_RNA)
where:
Base-Base interactions energy: -511.183
where: short stacking energy: -240.610
Base-Backbone interact. energy: -0.222
local terms energy: -256.477357
where:
bonds (distance) C4'-P energy: -42.408
bonds (distance) P-C4' energy: -48.296
flat angles C4'-P-C4' energy: -54.639
flat angles P-C4'-P energy: -37.528
tors. eta vs tors. theta energy: -73.606
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: 139
Temperature: 1.100000
Total energy: -682.844747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.844747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.844747 (E_RNA)
where:
Base-Base interactions energy: -456.928
where: short stacking energy: -197.709
Base-Backbone interact. energy: -0.617
local terms energy: -225.299606
where:
bonds (distance) C4'-P energy: -45.152
bonds (distance) P-C4' energy: -45.965
flat angles C4'-P-C4' energy: -54.566
flat angles P-C4'-P energy: -24.475
tors. eta vs tors. theta energy: -55.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -608.609521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.609521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.609521 (E_RNA)
where:
Base-Base interactions energy: -392.620
where: short stacking energy: -186.534
Base-Backbone interact. energy: -1.043
local terms energy: -214.946135
where:
bonds (distance) C4'-P energy: -44.766
bonds (distance) P-C4' energy: -36.629
flat angles C4'-P-C4' energy: -48.616
flat angles P-C4'-P energy: -37.789
tors. eta vs tors. theta energy: -47.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -520.009939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.009939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.009939 (E_RNA)
where:
Base-Base interactions energy: -324.886
where: short stacking energy: -147.097
Base-Backbone interact. energy: -0.576
local terms energy: -194.548506
where:
bonds (distance) C4'-P energy: -45.013
bonds (distance) P-C4' energy: -43.977
flat angles C4'-P-C4' energy: -44.860
flat angles P-C4'-P energy: -28.564
tors. eta vs tors. theta energy: -32.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -432.956948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.956948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.956948 (E_RNA)
where:
Base-Base interactions energy: -276.839
where: short stacking energy: -134.705
Base-Backbone interact. energy: -0.695
local terms energy: -155.423706
where:
bonds (distance) C4'-P energy: -34.435
bonds (distance) P-C4' energy: -45.591
flat angles C4'-P-C4' energy: -40.811
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -24.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -304.473410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.473410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.473410 (E_RNA)
where:
Base-Base interactions energy: -166.241
where: short stacking energy: -89.123
Base-Backbone interact. energy: 2.288
local terms energy: -140.520206
where:
bonds (distance) C4'-P energy: -33.048
bonds (distance) P-C4' energy: -38.417
flat angles C4'-P-C4' energy: -41.567
flat angles P-C4'-P energy: -24.749
tors. eta vs tors. theta energy: -2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -226.570893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.570893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.570893 (E_RNA)
where:
Base-Base interactions energy: -102.073
where: short stacking energy: -76.101
Base-Backbone interact. energy: 0.118
local terms energy: -124.615833
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -44.544
flat angles C4'-P-C4' energy: -27.695
flat angles P-C4'-P energy: -27.727
tors. eta vs tors. theta energy: 5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -869.841143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.841143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.841143 (E_RNA)
where:
Base-Base interactions energy: -632.404
where: short stacking energy: -251.070
Base-Backbone interact. energy: -1.967
local terms energy: -235.470361
where:
bonds (distance) C4'-P energy: -47.443
bonds (distance) P-C4' energy: -42.366
flat angles C4'-P-C4' energy: -51.253
flat angles P-C4'-P energy: -32.757
tors. eta vs tors. theta energy: -61.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -802.266118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.266118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.266118 (E_RNA)
where:
Base-Base interactions energy: -547.993
where: short stacking energy: -251.282
Base-Backbone interact. energy: -0.267
local terms energy: -254.006424
where:
bonds (distance) C4'-P energy: -39.810
bonds (distance) P-C4' energy: -44.174
flat angles C4'-P-C4' energy: -56.399
flat angles P-C4'-P energy: -41.107
tors. eta vs tors. theta energy: -72.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -781.856644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.856644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.856644 (E_RNA)
where:
Base-Base interactions energy: -549.819
where: short stacking energy: -222.757
Base-Backbone interact. energy: 1.233
local terms energy: -233.270487
where:
bonds (distance) C4'-P energy: -42.386
bonds (distance) P-C4' energy: -52.293
flat angles C4'-P-C4' energy: -50.531
flat angles P-C4'-P energy: -33.620
tors. eta vs tors. theta energy: -54.441
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: 140
Temperature: 1.050000
Total energy: -751.673320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.673320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.673320 (E_RNA)
where:
Base-Base interactions energy: -493.157
where: short stacking energy: -234.508
Base-Backbone interact. energy: -2.051
local terms energy: -256.464623
where:
bonds (distance) C4'-P energy: -43.789
bonds (distance) P-C4' energy: -48.420
flat angles C4'-P-C4' energy: -55.548
flat angles P-C4'-P energy: -34.851
tors. eta vs tors. theta energy: -73.856
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: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -701.973247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.973247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.973247 (E_RNA)
where:
Base-Base interactions energy: -461.912
where: short stacking energy: -197.228
Base-Backbone interact. energy: -1.848
local terms energy: -238.213691
where:
bonds (distance) C4'-P energy: -49.593
bonds (distance) P-C4' energy: -41.455
flat angles C4'-P-C4' energy: -51.689
flat angles P-C4'-P energy: -40.532
tors. eta vs tors. theta energy: -54.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -612.338231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.338231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.338231 (E_RNA)
where:
Base-Base interactions energy: -405.285
where: short stacking energy: -206.565
Base-Backbone interact. energy: -0.529
local terms energy: -206.525078
where:
bonds (distance) C4'-P energy: -35.688
bonds (distance) P-C4' energy: -38.844
flat angles C4'-P-C4' energy: -52.173
flat angles P-C4'-P energy: -27.447
tors. eta vs tors. theta energy: -52.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -496.116116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.116116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.116116 (E_RNA)
where:
Base-Base interactions energy: -302.418
where: short stacking energy: -157.568
Base-Backbone interact. energy: -0.191
local terms energy: -193.507091
where:
bonds (distance) C4'-P energy: -48.156
bonds (distance) P-C4' energy: -51.194
flat angles C4'-P-C4' energy: -43.843
flat angles P-C4'-P energy: -18.659
tors. eta vs tors. theta energy: -31.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -441.750515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.750515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.750515 (E_RNA)
where:
Base-Base interactions energy: -246.087
where: short stacking energy: -122.673
Base-Backbone interact. energy: -0.761
local terms energy: -194.903418
where:
bonds (distance) C4'-P energy: -54.645
bonds (distance) P-C4' energy: -42.310
flat angles C4'-P-C4' energy: -40.653
flat angles P-C4'-P energy: -34.941
tors. eta vs tors. theta energy: -22.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -320.641520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.641520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.641520 (E_RNA)
where:
Base-Base interactions energy: -167.488
where: short stacking energy: -94.301
Base-Backbone interact. energy: -0.410
local terms energy: -152.742877
where:
bonds (distance) C4'-P energy: -46.479
bonds (distance) P-C4' energy: -48.514
flat angles C4'-P-C4' energy: -31.922
flat angles P-C4'-P energy: -23.939
tors. eta vs tors. theta energy: -1.889
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: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -210.678218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.678218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.678218 (E_RNA)
where:
Base-Base interactions energy: -76.183
where: short stacking energy: -74.930
Base-Backbone interact. energy: -0.526
local terms energy: -133.969277
where:
bonds (distance) C4'-P energy: -44.429
bonds (distance) P-C4' energy: -34.434
flat angles C4'-P-C4' energy: -31.242
flat angles P-C4'-P energy: -21.367
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -868.716440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.716440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.716440 (E_RNA)
where:
Base-Base interactions energy: -633.147
where: short stacking energy: -250.077
Base-Backbone interact. energy: -2.427
local terms energy: -233.143022
where:
bonds (distance) C4'-P energy: -43.972
bonds (distance) P-C4' energy: -41.130
flat angles C4'-P-C4' energy: -55.211
flat angles P-C4'-P energy: -35.281
tors. eta vs tors. theta energy: -57.548
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: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -815.757599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.757599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.757599 (E_RNA)
where:
Base-Base interactions energy: -567.519
where: short stacking energy: -223.910
Base-Backbone interact. energy: 1.454
local terms energy: -249.692257
where:
bonds (distance) C4'-P energy: -49.819
bonds (distance) P-C4' energy: -50.190
flat angles C4'-P-C4' energy: -51.691
flat angles P-C4'-P energy: -38.266
tors. eta vs tors. theta energy: -59.727
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: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -798.101910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.101910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.101910 (E_RNA)
where:
Base-Base interactions energy: -555.254
where: short stacking energy: -240.271
Base-Backbone interact. energy: -0.423
local terms energy: -242.424666
where:
bonds (distance) C4'-P energy: -44.042
bonds (distance) P-C4' energy: -42.750
flat angles C4'-P-C4' energy: -56.111
flat angles P-C4'-P energy: -29.372
tors. eta vs tors. theta energy: -70.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -760.291183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.291183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.291183 (E_RNA)
where:
Base-Base interactions energy: -505.876
where: short stacking energy: -230.412
Base-Backbone interact. energy: -0.598
local terms energy: -253.817390
where:
bonds (distance) C4'-P energy: -51.835
bonds (distance) P-C4' energy: -51.400
flat angles C4'-P-C4' energy: -47.471
flat angles P-C4'-P energy: -32.944
tors. eta vs tors. theta energy: -70.167
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: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -693.635258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.635258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.635258 (E_RNA)
where:
Base-Base interactions energy: -489.201
where: short stacking energy: -196.958
Base-Backbone interact. energy: -1.642
local terms energy: -202.792253
where:
bonds (distance) C4'-P energy: -38.164
bonds (distance) P-C4' energy: -39.092
flat angles C4'-P-C4' energy: -45.289
flat angles P-C4'-P energy: -33.264
tors. eta vs tors. theta energy: -46.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -617.226100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.226100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.226100 (E_RNA)
where:
Base-Base interactions energy: -402.631
where: short stacking energy: -184.481
Base-Backbone interact. energy: -0.398
local terms energy: -214.197210
where:
bonds (distance) C4'-P energy: -41.298
bonds (distance) P-C4' energy: -51.035
flat angles C4'-P-C4' energy: -41.328
flat angles P-C4'-P energy: -34.281
tors. eta vs tors. theta energy: -46.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -508.783312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.783312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.783312 (E_RNA)
where:
Base-Base interactions energy: -314.314
where: short stacking energy: -165.934
Base-Backbone interact. energy: 0.319
local terms energy: -194.788635
where:
bonds (distance) C4'-P energy: -42.219
bonds (distance) P-C4' energy: -35.967
flat angles C4'-P-C4' energy: -48.842
flat angles P-C4'-P energy: -29.849
tors. eta vs tors. theta energy: -37.912
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: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -445.881576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.881576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.881576 (E_RNA)
where:
Base-Base interactions energy: -272.442
where: short stacking energy: -137.092
Base-Backbone interact. energy: -0.307
local terms energy: -173.131921
where:
bonds (distance) C4'-P energy: -38.852
bonds (distance) P-C4' energy: -39.163
flat angles C4'-P-C4' energy: -46.260
flat angles P-C4'-P energy: -19.149
tors. eta vs tors. theta energy: -29.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -246.800949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.800949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.800949 (E_RNA)
where:
Base-Base interactions energy: -120.842
where: short stacking energy: -94.381
Base-Backbone interact. energy: 0.361
local terms energy: -126.320391
where:
bonds (distance) C4'-P energy: -46.876
bonds (distance) P-C4' energy: -29.753
flat angles C4'-P-C4' energy: -31.444
flat angles P-C4'-P energy: -16.923
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: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -223.709769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.709769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.709769 (E_RNA)
where:
Base-Base interactions energy: -85.128
where: short stacking energy: -69.744
Base-Backbone interact. energy: 0.953
local terms energy: -139.534746
where:
bonds (distance) C4'-P energy: -37.919
bonds (distance) P-C4' energy: -37.658
flat angles C4'-P-C4' energy: -36.391
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -859.675402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.675402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.675402 (E_RNA)
where:
Base-Base interactions energy: -609.153
where: short stacking energy: -255.319
Base-Backbone interact. energy: -1.225
local terms energy: -249.297841
where:
bonds (distance) C4'-P energy: -48.152
bonds (distance) P-C4' energy: -44.350
flat angles C4'-P-C4' energy: -54.957
flat angles P-C4'-P energy: -36.506
tors. eta vs tors. theta energy: -65.333
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: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -829.308242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.308242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.308242 (E_RNA)
where:
Base-Base interactions energy: -579.762
where: short stacking energy: -220.312
Base-Backbone interact. energy: -1.044
local terms energy: -248.503175
where:
bonds (distance) C4'-P energy: -48.631
bonds (distance) P-C4' energy: -55.940
flat angles C4'-P-C4' energy: -56.595
flat angles P-C4'-P energy: -29.986
tors. eta vs tors. theta energy: -57.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -807.641496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.641496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.641496 (E_RNA)
where:
Base-Base interactions energy: -559.684
where: short stacking energy: -255.510
Base-Backbone interact. energy: 0.470
local terms energy: -248.427103
where:
bonds (distance) C4'-P energy: -47.670
bonds (distance) P-C4' energy: -45.336
flat angles C4'-P-C4' energy: -55.272
flat angles P-C4'-P energy: -32.414
tors. eta vs tors. theta energy: -67.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -751.708748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.708748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.708748 (E_RNA)
where:
Base-Base interactions energy: -519.243
where: short stacking energy: -250.568
Base-Backbone interact. energy: -2.794
local terms energy: -229.672143
where:
bonds (distance) C4'-P energy: -41.866
bonds (distance) P-C4' energy: -41.093
flat angles C4'-P-C4' energy: -48.741
flat angles P-C4'-P energy: -34.318
tors. eta vs tors. theta energy: -63.654
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: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -697.584464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.584464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.584464 (E_RNA)
where:
Base-Base interactions energy: -469.340
where: short stacking energy: -204.705
Base-Backbone interact. energy: -1.645
local terms energy: -226.599023
where:
bonds (distance) C4'-P energy: -40.655
bonds (distance) P-C4' energy: -41.528
flat angles C4'-P-C4' energy: -53.496
flat angles P-C4'-P energy: -36.563
tors. eta vs tors. theta energy: -54.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -631.984760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.984760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.984760 (E_RNA)
where:
Base-Base interactions energy: -431.751
where: short stacking energy: -199.923
Base-Backbone interact. energy: -0.291
local terms energy: -199.942075
where:
bonds (distance) C4'-P energy: -40.343
bonds (distance) P-C4' energy: -38.246
flat angles C4'-P-C4' energy: -37.886
flat angles P-C4'-P energy: -32.491
tors. eta vs tors. theta energy: -50.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -508.831406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.831406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.831406 (E_RNA)
where:
Base-Base interactions energy: -319.581
where: short stacking energy: -150.663
Base-Backbone interact. energy: -0.828
local terms energy: -188.422653
where:
bonds (distance) C4'-P energy: -39.869
bonds (distance) P-C4' energy: -29.952
flat angles C4'-P-C4' energy: -43.844
flat angles P-C4'-P energy: -38.930
tors. eta vs tors. theta energy: -35.827
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: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -411.333826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.333826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.333826 (E_RNA)
where:
Base-Base interactions energy: -236.149
where: short stacking energy: -127.305
Base-Backbone interact. energy: 0.461
local terms energy: -175.645413
where:
bonds (distance) C4'-P energy: -39.268
bonds (distance) P-C4' energy: -38.391
flat angles C4'-P-C4' energy: -46.836
flat angles P-C4'-P energy: -29.335
tors. eta vs tors. theta energy: -21.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -225.444213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.444213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.444213 (E_RNA)
where:
Base-Base interactions energy: -71.664
where: short stacking energy: -65.035
Base-Backbone interact. energy: -1.845
local terms energy: -151.934775
where:
bonds (distance) C4'-P energy: -44.704
bonds (distance) P-C4' energy: -38.642
flat angles C4'-P-C4' energy: -38.364
flat angles P-C4'-P energy: -24.467
tors. eta vs tors. theta energy: -5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -209.930871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.930871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.930871 (E_RNA)
where:
Base-Base interactions energy: -91.786
where: short stacking energy: -68.842
Base-Backbone interact. energy: 1.281
local terms energy: -119.425660
where:
bonds (distance) C4'-P energy: -37.164
bonds (distance) P-C4' energy: -42.928
flat angles C4'-P-C4' energy: -35.166
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: 5.178
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: 143
Temperature: 0.900000
Total energy: -859.569955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.569955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.569955 (E_RNA)
where:
Base-Base interactions energy: -608.172
where: short stacking energy: -244.678
Base-Backbone interact. energy: 3.487
local terms energy: -254.885168
where:
bonds (distance) C4'-P energy: -53.239
bonds (distance) P-C4' energy: -49.354
flat angles C4'-P-C4' energy: -56.410
flat angles P-C4'-P energy: -31.895
tors. eta vs tors. theta energy: -63.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -826.732426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.732426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.732426 (E_RNA)
where:
Base-Base interactions energy: -587.891
where: short stacking energy: -252.691
Base-Backbone interact. energy: 0.196
local terms energy: -239.037658
where:
bonds (distance) C4'-P energy: -38.421
bonds (distance) P-C4' energy: -45.226
flat angles C4'-P-C4' energy: -54.278
flat angles P-C4'-P energy: -34.770
tors. eta vs tors. theta energy: -66.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -798.806225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.806225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.806225 (E_RNA)
where:
Base-Base interactions energy: -551.154
where: short stacking energy: -249.950
Base-Backbone interact. energy: -0.427
local terms energy: -247.225629
where:
bonds (distance) C4'-P energy: -45.650
bonds (distance) P-C4' energy: -52.100
flat angles C4'-P-C4' energy: -49.512
flat angles P-C4'-P energy: -32.041
tors. eta vs tors. theta energy: -67.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -773.083624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.083624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.083624 (E_RNA)
where:
Base-Base interactions energy: -536.795
where: short stacking energy: -253.626
Base-Backbone interact. energy: 1.331
local terms energy: -237.619260
where:
bonds (distance) C4'-P energy: -40.260
bonds (distance) P-C4' energy: -42.843
flat angles C4'-P-C4' energy: -52.204
flat angles P-C4'-P energy: -27.748
tors. eta vs tors. theta energy: -74.563
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: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -707.704459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.704459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.704459 (E_RNA)
where:
Base-Base interactions energy: -486.694
where: short stacking energy: -208.012
Base-Backbone interact. energy: -0.169
local terms energy: -220.841493
where:
bonds (distance) C4'-P energy: -40.659
bonds (distance) P-C4' energy: -55.623
flat angles C4'-P-C4' energy: -40.142
flat angles P-C4'-P energy: -26.567
tors. eta vs tors. theta energy: -57.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -631.498644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.498644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.498644 (E_RNA)
where:
Base-Base interactions energy: -417.672
where: short stacking energy: -173.612
Base-Backbone interact. energy: -1.837
local terms energy: -211.989196
where:
bonds (distance) C4'-P energy: -46.700
bonds (distance) P-C4' energy: -35.958
flat angles C4'-P-C4' energy: -53.615
flat angles P-C4'-P energy: -32.872
tors. eta vs tors. theta energy: -42.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -520.426803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.426803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.426803 (E_RNA)
where:
Base-Base interactions energy: -317.519
where: short stacking energy: -153.425
Base-Backbone interact. energy: -0.776
local terms energy: -202.131921
where:
bonds (distance) C4'-P energy: -40.506
bonds (distance) P-C4' energy: -48.411
flat angles C4'-P-C4' energy: -45.316
flat angles P-C4'-P energy: -36.462
tors. eta vs tors. theta energy: -31.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -408.924440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.924440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.924440 (E_RNA)
where:
Base-Base interactions energy: -231.404
where: short stacking energy: -109.255
Base-Backbone interact. energy: -1.300
local terms energy: -176.220749
where:
bonds (distance) C4'-P energy: -48.156
bonds (distance) P-C4' energy: -49.100
flat angles C4'-P-C4' energy: -43.545
flat angles P-C4'-P energy: -28.548
tors. eta vs tors. theta energy: -6.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -235.249700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.249700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.249700 (E_RNA)
where:
Base-Base interactions energy: -80.413
where: short stacking energy: -72.000
Base-Backbone interact. energy: -0.811
local terms energy: -154.025852
where:
bonds (distance) C4'-P energy: -49.077
bonds (distance) P-C4' energy: -38.134
flat angles C4'-P-C4' energy: -35.785
flat angles P-C4'-P energy: -23.342
tors. eta vs tors. theta energy: -7.688
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: 3
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -210.230380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.230380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.230380 (E_RNA)
where:
Base-Base interactions energy: -66.395
where: short stacking energy: -59.430
Base-Backbone interact. energy: 1.920
local terms energy: -145.755200
where:
bonds (distance) C4'-P energy: -42.159
bonds (distance) P-C4' energy: -45.650
flat angles C4'-P-C4' energy: -36.218
flat angles P-C4'-P energy: -26.738
tors. eta vs tors. theta energy: 5.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -835.154332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.154332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.154332 (E_RNA)
where:
Base-Base interactions energy: -599.202
where: short stacking energy: -238.689
Base-Backbone interact. energy: -1.389
local terms energy: -234.562959
where:
bonds (distance) C4'-P energy: -45.732
bonds (distance) P-C4' energy: -48.382
flat angles C4'-P-C4' energy: -53.151
flat angles P-C4'-P energy: -27.564
tors. eta vs tors. theta energy: -59.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -845.196808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.196808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.196808 (E_RNA)
where:
Base-Base interactions energy: -602.022
where: short stacking energy: -248.827
Base-Backbone interact. energy: -1.551
local terms energy: -241.623838
where:
bonds (distance) C4'-P energy: -46.578
bonds (distance) P-C4' energy: -47.211
flat angles C4'-P-C4' energy: -49.819
flat angles P-C4'-P energy: -35.364
tors. eta vs tors. theta energy: -62.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -783.943258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.943258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.943258 (E_RNA)
where:
Base-Base interactions energy: -532.523
where: short stacking energy: -237.502
Base-Backbone interact. energy: -0.590
local terms energy: -250.830005
where:
bonds (distance) C4'-P energy: -45.320
bonds (distance) P-C4' energy: -42.972
flat angles C4'-P-C4' energy: -56.426
flat angles P-C4'-P energy: -42.412
tors. eta vs tors. theta energy: -63.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -769.716012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.716012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.716012 (E_RNA)
where:
Base-Base interactions energy: -512.895
where: short stacking energy: -237.176
Base-Backbone interact. energy: 0.610
local terms energy: -257.430533
where:
bonds (distance) C4'-P energy: -52.651
bonds (distance) P-C4' energy: -44.260
flat angles C4'-P-C4' energy: -51.746
flat angles P-C4'-P energy: -41.123
tors. eta vs tors. theta energy: -67.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -682.614638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.614638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.614638 (E_RNA)
where:
Base-Base interactions energy: -448.390
where: short stacking energy: -196.624
Base-Backbone interact. energy: -0.979
local terms energy: -233.245949
where:
bonds (distance) C4'-P energy: -52.944
bonds (distance) P-C4' energy: -43.153
flat angles C4'-P-C4' energy: -46.757
flat angles P-C4'-P energy: -32.556
tors. eta vs tors. theta energy: -57.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -625.804643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.804643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.804643 (E_RNA)
where:
Base-Base interactions energy: -412.438
where: short stacking energy: -190.546
Base-Backbone interact. energy: 0.689
local terms energy: -214.056092
where:
bonds (distance) C4'-P energy: -38.443
bonds (distance) P-C4' energy: -53.890
flat angles C4'-P-C4' energy: -46.871
flat angles P-C4'-P energy: -25.641
tors. eta vs tors. theta energy: -49.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -514.626778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.626778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.626778 (E_RNA)
where:
Base-Base interactions energy: -318.023
where: short stacking energy: -144.949
Base-Backbone interact. energy: 0.018
local terms energy: -196.622086
where:
bonds (distance) C4'-P energy: -46.460
bonds (distance) P-C4' energy: -50.777
flat angles C4'-P-C4' energy: -43.820
flat angles P-C4'-P energy: -33.265
tors. eta vs tors. theta energy: -22.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -419.357795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.357795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.357795 (E_RNA)
where:
Base-Base interactions energy: -254.325
where: short stacking energy: -125.225
Base-Backbone interact. energy: 0.164
local terms energy: -165.196699
where:
bonds (distance) C4'-P energy: -39.961
bonds (distance) P-C4' energy: -49.823
flat angles C4'-P-C4' energy: -39.652
flat angles P-C4'-P energy: -23.956
tors. eta vs tors. theta energy: -11.805
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: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -244.174692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.174692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.174692 (E_RNA)
where:
Base-Base interactions energy: -89.992
where: short stacking energy: -70.430
Base-Backbone interact. energy: -1.645
local terms energy: -152.538103
where:
bonds (distance) C4'-P energy: -41.816
bonds (distance) P-C4' energy: -44.837
flat angles C4'-P-C4' energy: -35.325
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -7.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -216.015288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.015288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.015288 (E_RNA)
where:
Base-Base interactions energy: -81.980
where: short stacking energy: -50.416
Base-Backbone interact. energy: -0.950
local terms energy: -133.085612
where:
bonds (distance) C4'-P energy: -40.171
bonds (distance) P-C4' energy: -45.154
flat angles C4'-P-C4' energy: -36.213
flat angles P-C4'-P energy: -25.151
tors. eta vs tors. theta energy: 13.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -825.260925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.260925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.260925 (E_RNA)
where:
Base-Base interactions energy: -580.467
where: short stacking energy: -230.149
Base-Backbone interact. energy: 0.857
local terms energy: -245.650796
where:
bonds (distance) C4'-P energy: -43.537
bonds (distance) P-C4' energy: -52.866
flat angles C4'-P-C4' energy: -58.497
flat angles P-C4'-P energy: -32.896
tors. eta vs tors. theta energy: -57.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -844.343960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.343960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.343960 (E_RNA)
where:
Base-Base interactions energy: -603.119
where: short stacking energy: -245.999
Base-Backbone interact. energy: -1.620
local terms energy: -239.605194
where:
bonds (distance) C4'-P energy: -48.833
bonds (distance) P-C4' energy: -44.407
flat angles C4'-P-C4' energy: -50.245
flat angles P-C4'-P energy: -36.150
tors. eta vs tors. theta energy: -59.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -811.225379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.225379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.225379 (E_RNA)
where:
Base-Base interactions energy: -561.397
where: short stacking energy: -242.563
Base-Backbone interact. energy: 0.339
local terms energy: -250.167027
where:
bonds (distance) C4'-P energy: -46.133
bonds (distance) P-C4' energy: -46.799
flat angles C4'-P-C4' energy: -51.805
flat angles P-C4'-P energy: -36.713
tors. eta vs tors. theta energy: -68.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -742.857077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.857077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.857077 (E_RNA)
where:
Base-Base interactions energy: -489.999
where: short stacking energy: -237.563
Base-Backbone interact. energy: 5.553
local terms energy: -258.411516
where:
bonds (distance) C4'-P energy: -47.599
bonds (distance) P-C4' energy: -43.727
flat angles C4'-P-C4' energy: -56.635
flat angles P-C4'-P energy: -36.367
tors. eta vs tors. theta energy: -74.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -666.215836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.215836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.215836 (E_RNA)
where:
Base-Base interactions energy: -448.313
where: short stacking energy: -203.892
Base-Backbone interact. energy: -3.107
local terms energy: -214.795782
where:
bonds (distance) C4'-P energy: -40.615
bonds (distance) P-C4' energy: -41.285
flat angles C4'-P-C4' energy: -48.966
flat angles P-C4'-P energy: -33.373
tors. eta vs tors. theta energy: -50.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -610.161662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.161662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.161662 (E_RNA)
where:
Base-Base interactions energy: -415.203
where: short stacking energy: -178.268
Base-Backbone interact. energy: -0.661
local terms energy: -194.297633
where:
bonds (distance) C4'-P energy: -40.987
bonds (distance) P-C4' energy: -35.744
flat angles C4'-P-C4' energy: -43.017
flat angles P-C4'-P energy: -30.667
tors. eta vs tors. theta energy: -43.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -515.938853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.938853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.938853 (E_RNA)
where:
Base-Base interactions energy: -350.569
where: short stacking energy: -155.980
Base-Backbone interact. energy: -1.269
local terms energy: -164.101683
where:
bonds (distance) C4'-P energy: -34.487
bonds (distance) P-C4' energy: -35.523
flat angles C4'-P-C4' energy: -41.388
flat angles P-C4'-P energy: -24.072
tors. eta vs tors. theta energy: -28.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -388.792526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.792526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.792526 (E_RNA)
where:
Base-Base interactions energy: -223.184
where: short stacking energy: -113.329
Base-Backbone interact. energy: 1.558
local terms energy: -167.165619
where:
bonds (distance) C4'-P energy: -36.036
bonds (distance) P-C4' energy: -41.341
flat angles C4'-P-C4' energy: -42.084
flat angles P-C4'-P energy: -22.307
tors. eta vs tors. theta energy: -25.396
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: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -225.002538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.002538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.002538 (E_RNA)
where:
Base-Base interactions energy: -83.911
where: short stacking energy: -77.245
Base-Backbone interact. energy: -0.144
local terms energy: -140.946882
where:
bonds (distance) C4'-P energy: -45.195
bonds (distance) P-C4' energy: -39.405
flat angles C4'-P-C4' energy: -36.451
flat angles P-C4'-P energy: -17.795
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -237.229880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.229880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.229880 (E_RNA)
where:
Base-Base interactions energy: -110.115
where: short stacking energy: -66.243
Base-Backbone interact. energy: 0.183
local terms energy: -127.297583
where:
bonds (distance) C4'-P energy: -35.403
bonds (distance) P-C4' energy: -37.075
flat angles C4'-P-C4' energy: -30.428
flat angles P-C4'-P energy: -27.201
tors. eta vs tors. theta energy: 2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -859.421781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.421781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.421781 (E_RNA)
where:
Base-Base interactions energy: -601.205
where: short stacking energy: -237.882
Base-Backbone interact. energy: -1.517
local terms energy: -256.699347
where:
bonds (distance) C4'-P energy: -46.662
bonds (distance) P-C4' energy: -56.450
flat angles C4'-P-C4' energy: -48.808
flat angles P-C4'-P energy: -44.596
tors. eta vs tors. theta energy: -60.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -813.882931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.882931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.882931 (E_RNA)
where:
Base-Base interactions energy: -574.032
where: short stacking energy: -235.763
Base-Backbone interact. energy: 0.603
local terms energy: -240.453505
where:
bonds (distance) C4'-P energy: -40.452
bonds (distance) P-C4' energy: -46.838
flat angles C4'-P-C4' energy: -54.716
flat angles P-C4'-P energy: -42.381
tors. eta vs tors. theta energy: -56.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -798.291969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.291969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.291969 (E_RNA)
where:
Base-Base interactions energy: -541.157
where: short stacking energy: -233.017
Base-Backbone interact. energy: -0.163
local terms energy: -256.971785
where:
bonds (distance) C4'-P energy: -49.080
bonds (distance) P-C4' energy: -53.597
flat angles C4'-P-C4' energy: -53.892
flat angles P-C4'-P energy: -37.495
tors. eta vs tors. theta energy: -62.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -749.589733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.589733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.589733 (E_RNA)
where:
Base-Base interactions energy: -499.911
where: short stacking energy: -229.305
Base-Backbone interact. energy: -2.129
local terms energy: -247.549597
where:
bonds (distance) C4'-P energy: -44.518
bonds (distance) P-C4' energy: -46.866
flat angles C4'-P-C4' energy: -55.272
flat angles P-C4'-P energy: -32.594
tors. eta vs tors. theta energy: -68.300
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: 5, replica: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -636.771362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.771362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.771362 (E_RNA)
where:
Base-Base interactions energy: -409.181
where: short stacking energy: -200.902
Base-Backbone interact. energy: -1.070
local terms energy: -226.520895
where:
bonds (distance) C4'-P energy: -40.010
bonds (distance) P-C4' energy: -56.522
flat angles C4'-P-C4' energy: -46.362
flat angles P-C4'-P energy: -29.712
tors. eta vs tors. theta energy: -53.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -667.383540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.383540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.383540 (E_RNA)
where:
Base-Base interactions energy: -448.199
where: short stacking energy: -196.548
Base-Backbone interact. energy: 0.010
local terms energy: -219.195117
where:
bonds (distance) C4'-P energy: -38.095
bonds (distance) P-C4' energy: -42.245
flat angles C4'-P-C4' energy: -41.884
flat angles P-C4'-P energy: -38.478
tors. eta vs tors. theta energy: -58.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -496.558815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.558815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.558815 (E_RNA)
where:
Base-Base interactions energy: -327.119
where: short stacking energy: -152.098
Base-Backbone interact. energy: -0.268
local terms energy: -169.171486
where:
bonds (distance) C4'-P energy: -40.059
bonds (distance) P-C4' energy: -36.631
flat angles C4'-P-C4' energy: -44.238
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -32.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -383.098817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.098817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.098817 (E_RNA)
where:
Base-Base interactions energy: -238.778
where: short stacking energy: -119.680
Base-Backbone interact. energy: -0.884
local terms energy: -143.437209
where:
bonds (distance) C4'-P energy: -29.564
bonds (distance) P-C4' energy: -46.158
flat angles C4'-P-C4' energy: -38.645
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -235.271948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.271948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.271948 (E_RNA)
where:
Base-Base interactions energy: -99.021
where: short stacking energy: -86.396
Base-Backbone interact. energy: -0.693
local terms energy: -135.558150
where:
bonds (distance) C4'-P energy: -30.364
bonds (distance) P-C4' energy: -39.702
flat angles C4'-P-C4' energy: -36.789
flat angles P-C4'-P energy: -23.840
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -218.164908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.164908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.164908 (E_RNA)
where:
Base-Base interactions energy: -79.137
where: short stacking energy: -71.048
Base-Backbone interact. energy: 0.064
local terms energy: -139.091586
where:
bonds (distance) C4'-P energy: -31.277
bonds (distance) P-C4' energy: -47.227
flat angles C4'-P-C4' energy: -37.812
flat angles P-C4'-P energy: -23.545
tors. eta vs tors. theta energy: 0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -869.527984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.527984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.527984 (E_RNA)
where:
Base-Base interactions energy: -610.517
where: short stacking energy: -251.019
Base-Backbone interact. energy: 0.358
local terms energy: -259.369215
where:
bonds (distance) C4'-P energy: -43.275
bonds (distance) P-C4' energy: -50.144
flat angles C4'-P-C4' energy: -56.950
flat angles P-C4'-P energy: -44.609
tors. eta vs tors. theta energy: -64.390
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: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -802.265808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.265808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.265808 (E_RNA)
where:
Base-Base interactions energy: -573.604
where: short stacking energy: -229.113
Base-Backbone interact. energy: -1.042
local terms energy: -227.619875
where:
bonds (distance) C4'-P energy: -44.266
bonds (distance) P-C4' energy: -48.399
flat angles C4'-P-C4' energy: -49.475
flat angles P-C4'-P energy: -32.606
tors. eta vs tors. theta energy: -52.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -823.444874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.444874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.444874 (E_RNA)
where:
Base-Base interactions energy: -573.863
where: short stacking energy: -249.854
Base-Backbone interact. energy: -0.851
local terms energy: -248.730091
where:
bonds (distance) C4'-P energy: -46.778
bonds (distance) P-C4' energy: -43.262
flat angles C4'-P-C4' energy: -56.409
flat angles P-C4'-P energy: -34.793
tors. eta vs tors. theta energy: -67.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -753.116442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.116442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.116442 (E_RNA)
where:
Base-Base interactions energy: -508.777
where: short stacking energy: -230.084
Base-Backbone interact. energy: -0.984
local terms energy: -243.354986
where:
bonds (distance) C4'-P energy: -46.696
bonds (distance) P-C4' energy: -45.181
flat angles C4'-P-C4' energy: -53.839
flat angles P-C4'-P energy: -30.695
tors. eta vs tors. theta energy: -66.944
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: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -632.066787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.066787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.066787 (E_RNA)
where:
Base-Base interactions energy: -409.468
where: short stacking energy: -198.767
Base-Backbone interact. energy: -0.729
local terms energy: -221.869151
where:
bonds (distance) C4'-P energy: -35.633
bonds (distance) P-C4' energy: -46.436
flat angles C4'-P-C4' energy: -54.242
flat angles P-C4'-P energy: -29.392
tors. eta vs tors. theta energy: -56.167
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: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -649.306218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.306218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.306218 (E_RNA)
where:
Base-Base interactions energy: -451.394
where: short stacking energy: -196.792
Base-Backbone interact. energy: -0.968
local terms energy: -196.944238
where:
bonds (distance) C4'-P energy: -38.824
bonds (distance) P-C4' energy: -35.372
flat angles C4'-P-C4' energy: -48.681
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: -54.873
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: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -532.307578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.307578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.307578 (E_RNA)
where:
Base-Base interactions energy: -343.023
where: short stacking energy: -142.925
Base-Backbone interact. energy: 0.502
local terms energy: -189.786714
where:
bonds (distance) C4'-P energy: -41.911
bonds (distance) P-C4' energy: -47.539
flat angles C4'-P-C4' energy: -53.580
flat angles P-C4'-P energy: -21.845
tors. eta vs tors. theta energy: -24.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -420.089101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.089101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.089101 (E_RNA)
where:
Base-Base interactions energy: -239.531
where: short stacking energy: -122.246
Base-Backbone interact. energy: 2.391
local terms energy: -182.949674
where:
bonds (distance) C4'-P energy: -43.787
bonds (distance) P-C4' energy: -42.429
flat angles C4'-P-C4' energy: -49.714
flat angles P-C4'-P energy: -27.982
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -237.693329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.693329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.693329 (E_RNA)
where:
Base-Base interactions energy: -108.924
where: short stacking energy: -89.418
Base-Backbone interact. energy: -0.375
local terms energy: -128.394311
where:
bonds (distance) C4'-P energy: -37.250
bonds (distance) P-C4' energy: -41.352
flat angles C4'-P-C4' energy: -28.515
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -8.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -219.525581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.525581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.525581 (E_RNA)
where:
Base-Base interactions energy: -82.677
where: short stacking energy: -81.754
Base-Backbone interact. energy: -0.189
local terms energy: -136.659164
where:
bonds (distance) C4'-P energy: -39.794
bonds (distance) P-C4' energy: -47.196
flat angles C4'-P-C4' energy: -31.917
flat angles P-C4'-P energy: -24.002
tors. eta vs tors. theta energy: 6.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -862.124571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.124571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.124571 (E_RNA)
where:
Base-Base interactions energy: -608.248
where: short stacking energy: -243.780
Base-Backbone interact. energy: -2.660
local terms energy: -251.216758
where:
bonds (distance) C4'-P energy: -48.003
bonds (distance) P-C4' energy: -51.721
flat angles C4'-P-C4' energy: -57.221
flat angles P-C4'-P energy: -32.728
tors. eta vs tors. theta energy: -61.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -803.613763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.613763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.613763 (E_RNA)
where:
Base-Base interactions energy: -572.886
where: short stacking energy: -215.743
Base-Backbone interact. energy: 1.819
local terms energy: -232.547183
where:
bonds (distance) C4'-P energy: -46.354
bonds (distance) P-C4' energy: -43.882
flat angles C4'-P-C4' energy: -53.291
flat angles P-C4'-P energy: -32.269
tors. eta vs tors. theta energy: -56.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -785.815493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.815493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.815493 (E_RNA)
where:
Base-Base interactions energy: -524.926
where: short stacking energy: -254.011
Base-Backbone interact. energy: -0.090
local terms energy: -260.798948
where:
bonds (distance) C4'-P energy: -53.527
bonds (distance) P-C4' energy: -45.290
flat angles C4'-P-C4' energy: -55.977
flat angles P-C4'-P energy: -35.294
tors. eta vs tors. theta energy: -70.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -783.292722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.292722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.292722 (E_RNA)
where:
Base-Base interactions energy: -535.203
where: short stacking energy: -234.243
Base-Backbone interact. energy: -1.209
local terms energy: -246.880214
where:
bonds (distance) C4'-P energy: -49.820
bonds (distance) P-C4' energy: -49.781
flat angles C4'-P-C4' energy: -48.364
flat angles P-C4'-P energy: -25.861
tors. eta vs tors. theta energy: -73.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -700.484092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.484092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.484092 (E_RNA)
where:
Base-Base interactions energy: -472.967
where: short stacking energy: -195.323
Base-Backbone interact. energy: -2.204
local terms energy: -225.312956
where:
bonds (distance) C4'-P energy: -41.828
bonds (distance) P-C4' energy: -44.531
flat angles C4'-P-C4' energy: -45.841
flat angles P-C4'-P energy: -36.254
tors. eta vs tors. theta energy: -56.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -600.071001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.071001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.071001 (E_RNA)
where:
Base-Base interactions energy: -405.695
where: short stacking energy: -185.994
Base-Backbone interact. energy: -0.142
local terms energy: -194.234514
where:
bonds (distance) C4'-P energy: -42.485
bonds (distance) P-C4' energy: -34.475
flat angles C4'-P-C4' energy: -42.168
flat angles P-C4'-P energy: -30.114
tors. eta vs tors. theta energy: -44.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -582.392813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.392813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.392813 (E_RNA)
where:
Base-Base interactions energy: -378.711
where: short stacking energy: -162.863
Base-Backbone interact. energy: -1.686
local terms energy: -201.996677
where:
bonds (distance) C4'-P energy: -42.016
bonds (distance) P-C4' energy: -57.271
flat angles C4'-P-C4' energy: -41.417
flat angles P-C4'-P energy: -28.320
tors. eta vs tors. theta energy: -32.973
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: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -394.805791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.805791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.805791 (E_RNA)
where:
Base-Base interactions energy: -222.844
where: short stacking energy: -124.890
Base-Backbone interact. energy: -1.576
local terms energy: -170.386359
where:
bonds (distance) C4'-P energy: -35.017
bonds (distance) P-C4' energy: -43.690
flat angles C4'-P-C4' energy: -44.974
flat angles P-C4'-P energy: -29.183
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -242.252012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.252012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.252012 (E_RNA)
where:
Base-Base interactions energy: -76.703
where: short stacking energy: -71.020
Base-Backbone interact. energy: -0.806
local terms energy: -164.743304
where:
bonds (distance) C4'-P energy: -49.082
bonds (distance) P-C4' energy: -50.580
flat angles C4'-P-C4' energy: -34.147
flat angles P-C4'-P energy: -26.720
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -274.918366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.918366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.918366 (E_RNA)
where:
Base-Base interactions energy: -158.250
where: short stacking energy: -74.693
Base-Backbone interact. energy: -0.879
local terms energy: -115.788977
where:
bonds (distance) C4'-P energy: -26.045
bonds (distance) P-C4' energy: -36.646
flat angles C4'-P-C4' energy: -29.235
flat angles P-C4'-P energy: -24.393
tors. eta vs tors. theta energy: 0.530
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: 10
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -874.293539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.293539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.293539 (E_RNA)
where:
Base-Base interactions energy: -631.371
where: short stacking energy: -249.255
Base-Backbone interact. energy: -2.651
local terms energy: -240.271379
where:
bonds (distance) C4'-P energy: -46.435
bonds (distance) P-C4' energy: -39.216
flat angles C4'-P-C4' energy: -54.548
flat angles P-C4'-P energy: -38.495
tors. eta vs tors. theta energy: -61.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -819.002519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.002519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.002519 (E_RNA)
where:
Base-Base interactions energy: -569.641
where: short stacking energy: -240.347
Base-Backbone interact. energy: 0.020
local terms energy: -249.381323
where:
bonds (distance) C4'-P energy: -48.472
bonds (distance) P-C4' energy: -46.347
flat angles C4'-P-C4' energy: -58.233
flat angles P-C4'-P energy: -34.307
tors. eta vs tors. theta energy: -62.021
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: 3, replica: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -758.472435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.472435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.472435 (E_RNA)
where:
Base-Base interactions energy: -508.965
where: short stacking energy: -237.169
Base-Backbone interact. energy: -2.171
local terms energy: -247.336048
where:
bonds (distance) C4'-P energy: -46.429
bonds (distance) P-C4' energy: -42.056
flat angles C4'-P-C4' energy: -54.620
flat angles P-C4'-P energy: -37.189
tors. eta vs tors. theta energy: -67.042
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: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -781.244135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.244135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.244135 (E_RNA)
where:
Base-Base interactions energy: -543.077
where: short stacking energy: -245.365
Base-Backbone interact. energy: -0.165
local terms energy: -238.001973
where:
bonds (distance) C4'-P energy: -34.319
bonds (distance) P-C4' energy: -44.963
flat angles C4'-P-C4' energy: -53.113
flat angles P-C4'-P energy: -30.265
tors. eta vs tors. theta energy: -75.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -701.103213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.103213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.103213 (E_RNA)
where:
Base-Base interactions energy: -465.825
where: short stacking energy: -191.242
Base-Backbone interact. energy: -0.579
local terms energy: -234.698806
where:
bonds (distance) C4'-P energy: -41.998
bonds (distance) P-C4' energy: -51.461
flat angles C4'-P-C4' energy: -50.962
flat angles P-C4'-P energy: -34.275
tors. eta vs tors. theta energy: -56.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -612.734874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.734874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.734874 (E_RNA)
where:
Base-Base interactions energy: -415.158
where: short stacking energy: -191.161
Base-Backbone interact. energy: -0.753
local terms energy: -196.823645
where:
bonds (distance) C4'-P energy: -35.367
bonds (distance) P-C4' energy: -46.402
flat angles C4'-P-C4' energy: -47.615
flat angles P-C4'-P energy: -20.612
tors. eta vs tors. theta energy: -46.827
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: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -584.993208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.993208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.993208 (E_RNA)
where:
Base-Base interactions energy: -398.489
where: short stacking energy: -175.323
Base-Backbone interact. energy: -0.617
local terms energy: -185.887250
where:
bonds (distance) C4'-P energy: -39.614
bonds (distance) P-C4' energy: -42.890
flat angles C4'-P-C4' energy: -41.933
flat angles P-C4'-P energy: -27.600
tors. eta vs tors. theta energy: -33.849
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: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -402.457062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.457062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.457062 (E_RNA)
where:
Base-Base interactions energy: -244.878
where: short stacking energy: -125.959
Base-Backbone interact. energy: -0.599
local terms energy: -156.980073
where:
bonds (distance) C4'-P energy: -40.053
bonds (distance) P-C4' energy: -41.368
flat angles C4'-P-C4' energy: -39.145
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -16.940
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: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -230.203112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.203112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.203112 (E_RNA)
where:
Base-Base interactions energy: -78.817
where: short stacking energy: -69.960
Base-Backbone interact. energy: 0.116
local terms energy: -151.501747
where:
bonds (distance) C4'-P energy: -46.247
bonds (distance) P-C4' energy: -39.779
flat angles C4'-P-C4' energy: -45.779
flat angles P-C4'-P energy: -18.135
tors. eta vs tors. theta energy: -1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -254.420959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.420959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.420959 (E_RNA)
where:
Base-Base interactions energy: -118.111
where: short stacking energy: -69.659
Base-Backbone interact. energy: -1.610
local terms energy: -134.699748
where:
bonds (distance) C4'-P energy: -40.745
bonds (distance) P-C4' energy: -40.118
flat angles C4'-P-C4' energy: -39.110
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: 2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -859.492040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.492040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.492040 (E_RNA)
where:
Base-Base interactions energy: -613.959
where: short stacking energy: -235.113
Base-Backbone interact. energy: -2.333
local terms energy: -243.200548
where:
bonds (distance) C4'-P energy: -46.496
bonds (distance) P-C4' energy: -48.579
flat angles C4'-P-C4' energy: -59.823
flat angles P-C4'-P energy: -31.418
tors. eta vs tors. theta energy: -56.884
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: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -804.222659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.222659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.222659 (E_RNA)
where:
Base-Base interactions energy: -566.409
where: short stacking energy: -233.483
Base-Backbone interact. energy: 0.626
local terms energy: -238.439092
where:
bonds (distance) C4'-P energy: -45.886
bonds (distance) P-C4' energy: -40.601
flat angles C4'-P-C4' energy: -53.465
flat angles P-C4'-P energy: -35.332
tors. eta vs tors. theta energy: -63.155
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: 1
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -798.911527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.911527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.911527 (E_RNA)
where:
Base-Base interactions energy: -546.133
where: short stacking energy: -248.897
Base-Backbone interact. energy: -0.631
local terms energy: -252.146974
where:
bonds (distance) C4'-P energy: -42.302
bonds (distance) P-C4' energy: -45.827
flat angles C4'-P-C4' energy: -49.518
flat angles P-C4'-P energy: -41.920
tors. eta vs tors. theta energy: -72.580
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: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -746.528908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.528908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.528908 (E_RNA)
where:
Base-Base interactions energy: -498.670
where: short stacking energy: -226.589
Base-Backbone interact. energy: -1.805
local terms energy: -246.053403
where:
bonds (distance) C4'-P energy: -49.849
bonds (distance) P-C4' energy: -48.138
flat angles C4'-P-C4' energy: -48.485
flat angles P-C4'-P energy: -30.132
tors. eta vs tors. theta energy: -69.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -696.375436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.375436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.375436 (E_RNA)
where:
Base-Base interactions energy: -478.806
where: short stacking energy: -214.499
Base-Backbone interact. energy: -2.896
local terms energy: -214.673964
where:
bonds (distance) C4'-P energy: -31.790
bonds (distance) P-C4' energy: -54.933
flat angles C4'-P-C4' energy: -49.195
flat angles P-C4'-P energy: -26.829
tors. eta vs tors. theta energy: -51.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -632.488361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.488361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.488361 (E_RNA)
where:
Base-Base interactions energy: -420.805
where: short stacking energy: -200.035
Base-Backbone interact. energy: -0.309
local terms energy: -211.374625
where:
bonds (distance) C4'-P energy: -49.681
bonds (distance) P-C4' energy: -46.834
flat angles C4'-P-C4' energy: -47.497
flat angles P-C4'-P energy: -21.269
tors. eta vs tors. theta energy: -46.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -598.154897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.154897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.154897 (E_RNA)
where:
Base-Base interactions energy: -403.754
where: short stacking energy: -157.891
Base-Backbone interact. energy: -2.234
local terms energy: -192.166467
where:
bonds (distance) C4'-P energy: -43.122
bonds (distance) P-C4' energy: -42.761
flat angles C4'-P-C4' energy: -44.768
flat angles P-C4'-P energy: -29.646
tors. eta vs tors. theta energy: -31.870
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: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -439.604362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.604362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.604362 (E_RNA)
where:
Base-Base interactions energy: -255.152
where: short stacking energy: -136.072
Base-Backbone interact. energy: -1.750
local terms energy: -182.702175
where:
bonds (distance) C4'-P energy: -42.422
bonds (distance) P-C4' energy: -40.150
flat angles C4'-P-C4' energy: -44.315
flat angles P-C4'-P energy: -23.917
tors. eta vs tors. theta energy: -31.899
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: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -346.661739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.661739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.661739 (E_RNA)
where:
Base-Base interactions energy: -181.778
where: short stacking energy: -108.977
Base-Backbone interact. energy: -2.024
local terms energy: -162.858998
where:
bonds (distance) C4'-P energy: -38.494
bonds (distance) P-C4' energy: -40.112
flat angles C4'-P-C4' energy: -50.143
flat angles P-C4'-P energy: -24.481
tors. eta vs tors. theta energy: -9.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -230.559897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.559897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.559897 (E_RNA)
where:
Base-Base interactions energy: -78.600
where: short stacking energy: -76.905
Base-Backbone interact. energy: 0.784
local terms energy: -152.743032
where:
bonds (distance) C4'-P energy: -37.158
bonds (distance) P-C4' energy: -45.345
flat angles C4'-P-C4' energy: -33.746
flat angles P-C4'-P energy: -33.586
tors. eta vs tors. theta energy: -2.909
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: 10
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -868.709545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.709545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.709545 (E_RNA)
where:
Base-Base interactions energy: -614.828
where: short stacking energy: -250.788
Base-Backbone interact. energy: -1.990
local terms energy: -251.890965
where:
bonds (distance) C4'-P energy: -44.147
bonds (distance) P-C4' energy: -50.199
flat angles C4'-P-C4' energy: -58.815
flat angles P-C4'-P energy: -37.658
tors. eta vs tors. theta energy: -61.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -825.300589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.300589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.300589 (E_RNA)
where:
Base-Base interactions energy: -567.991
where: short stacking energy: -264.039
Base-Backbone interact. energy: 0.214
local terms energy: -257.523681
where:
bonds (distance) C4'-P energy: -43.915
bonds (distance) P-C4' energy: -47.531
flat angles C4'-P-C4' energy: -52.798
flat angles P-C4'-P energy: -37.028
tors. eta vs tors. theta energy: -76.251
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: 3, replica: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -790.909645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.909645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.909645 (E_RNA)
where:
Base-Base interactions energy: -554.980
where: short stacking energy: -222.676
Base-Backbone interact. energy: 2.258
local terms energy: -238.188181
where:
bonds (distance) C4'-P energy: -43.457
bonds (distance) P-C4' energy: -48.557
flat angles C4'-P-C4' energy: -54.964
flat angles P-C4'-P energy: -34.083
tors. eta vs tors. theta energy: -57.126
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: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -763.485075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.485075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.485075 (E_RNA)
where:
Base-Base interactions energy: -513.497
where: short stacking energy: -240.655
Base-Backbone interact. energy: 0.634
local terms energy: -250.621446
where:
bonds (distance) C4'-P energy: -42.238
bonds (distance) P-C4' energy: -51.189
flat angles C4'-P-C4' energy: -49.977
flat angles P-C4'-P energy: -39.686
tors. eta vs tors. theta energy: -67.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -686.908341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.908341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.908341 (E_RNA)
where:
Base-Base interactions energy: -461.498
where: short stacking energy: -198.418
Base-Backbone interact. energy: -0.998
local terms energy: -224.412367
where:
bonds (distance) C4'-P energy: -44.723
bonds (distance) P-C4' energy: -46.733
flat angles C4'-P-C4' energy: -54.318
flat angles P-C4'-P energy: -25.223
tors. eta vs tors. theta energy: -53.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -633.966023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.966023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.966023 (E_RNA)
where:
Base-Base interactions energy: -418.359
where: short stacking energy: -196.307
Base-Backbone interact. energy: 0.602
local terms energy: -216.209013
where:
bonds (distance) C4'-P energy: -43.488
bonds (distance) P-C4' energy: -40.152
flat angles C4'-P-C4' energy: -52.240
flat angles P-C4'-P energy: -29.431
tors. eta vs tors. theta energy: -50.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -573.913475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.913475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.913475 (E_RNA)
where:
Base-Base interactions energy: -390.066
where: short stacking energy: -164.715
Base-Backbone interact. energy: -0.385
local terms energy: -183.462570
where:
bonds (distance) C4'-P energy: -27.064
bonds (distance) P-C4' energy: -52.154
flat angles C4'-P-C4' energy: -39.512
flat angles P-C4'-P energy: -23.961
tors. eta vs tors. theta energy: -40.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -438.741146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.741146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.741146 (E_RNA)
where:
Base-Base interactions energy: -271.041
where: short stacking energy: -136.953
Base-Backbone interact. energy: -0.448
local terms energy: -167.252440
where:
bonds (distance) C4'-P energy: -40.028
bonds (distance) P-C4' energy: -41.480
flat angles C4'-P-C4' energy: -35.698
flat angles P-C4'-P energy: -25.553
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: 9, replica: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -336.458350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.458350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.458350 (E_RNA)
where:
Base-Base interactions energy: -194.532
where: short stacking energy: -87.070
Base-Backbone interact. energy: -0.463
local terms energy: -141.463413
where:
bonds (distance) C4'-P energy: -40.368
bonds (distance) P-C4' energy: -46.346
flat angles C4'-P-C4' energy: -38.525
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -2.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -210.861426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.861426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.861426 (E_RNA)
where:
Base-Base interactions energy: -72.720
where: short stacking energy: -62.829
Base-Backbone interact. energy: -0.695
local terms energy: -137.446595
where:
bonds (distance) C4'-P energy: -38.505
bonds (distance) P-C4' energy: -47.518
flat angles C4'-P-C4' energy: -27.737
flat angles P-C4'-P energy: -21.668
tors. eta vs tors. theta energy: -2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -876.691234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.691234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.691234 (E_RNA)
where:
Base-Base interactions energy: -624.551
where: short stacking energy: -249.349
Base-Backbone interact. energy: 2.448
local terms energy: -254.588962
where:
bonds (distance) C4'-P energy: -50.633
bonds (distance) P-C4' energy: -49.247
flat angles C4'-P-C4' energy: -53.579
flat angles P-C4'-P energy: -40.953
tors. eta vs tors. theta energy: -60.177
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: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -823.698833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.698833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.698833 (E_RNA)
where:
Base-Base interactions energy: -556.919
where: short stacking energy: -253.188
Base-Backbone interact. energy: -0.296
local terms energy: -266.484076
where:
bonds (distance) C4'-P energy: -41.621
bonds (distance) P-C4' energy: -46.567
flat angles C4'-P-C4' energy: -58.845
flat angles P-C4'-P energy: -42.403
tors. eta vs tors. theta energy: -77.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -806.633001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.633001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.633001 (E_RNA)
where:
Base-Base interactions energy: -565.454
where: short stacking energy: -210.950
Base-Backbone interact. energy: 1.244
local terms energy: -242.423176
where:
bonds (distance) C4'-P energy: -42.938
bonds (distance) P-C4' energy: -51.589
flat angles C4'-P-C4' energy: -56.987
flat angles P-C4'-P energy: -38.590
tors. eta vs tors. theta energy: -52.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -759.047836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.047836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.047836 (E_RNA)
where:
Base-Base interactions energy: -521.363
where: short stacking energy: -219.809
Base-Backbone interact. energy: -0.865
local terms energy: -236.820003
where:
bonds (distance) C4'-P energy: -49.782
bonds (distance) P-C4' energy: -41.217
flat angles C4'-P-C4' energy: -50.805
flat angles P-C4'-P energy: -32.935
tors. eta vs tors. theta energy: -62.081
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: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -641.258279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.258279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.258279 (E_RNA)
where:
Base-Base interactions energy: -421.548
where: short stacking energy: -187.220
Base-Backbone interact. energy: -0.391
local terms energy: -219.319820
where:
bonds (distance) C4'-P energy: -51.431
bonds (distance) P-C4' energy: -44.070
flat angles C4'-P-C4' energy: -50.433
flat angles P-C4'-P energy: -29.484
tors. eta vs tors. theta energy: -43.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -666.382315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.382315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.382315 (E_RNA)
where:
Base-Base interactions energy: -444.230
where: short stacking energy: -184.883
Base-Backbone interact. energy: -0.735
local terms energy: -221.416974
where:
bonds (distance) C4'-P energy: -47.305
bonds (distance) P-C4' energy: -48.251
flat angles C4'-P-C4' energy: -46.049
flat angles P-C4'-P energy: -32.936
tors. eta vs tors. theta energy: -46.876
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: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -564.639467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.639467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.639467 (E_RNA)
where:
Base-Base interactions energy: -354.700
where: short stacking energy: -160.217
Base-Backbone interact. energy: -1.013
local terms energy: -208.926005
where:
bonds (distance) C4'-P energy: -41.709
bonds (distance) P-C4' energy: -52.339
flat angles C4'-P-C4' energy: -46.922
flat angles P-C4'-P energy: -27.006
tors. eta vs tors. theta energy: -40.950
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: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -418.480693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.480693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.480693 (E_RNA)
where:
Base-Base interactions energy: -239.591
where: short stacking energy: -116.410
Base-Backbone interact. energy: 0.081
local terms energy: -178.970167
where:
bonds (distance) C4'-P energy: -40.644
bonds (distance) P-C4' energy: -41.180
flat angles C4'-P-C4' energy: -45.596
flat angles P-C4'-P energy: -23.205
tors. eta vs tors. theta energy: -28.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -323.112563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.112563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.112563 (E_RNA)
where:
Base-Base interactions energy: -164.922
where: short stacking energy: -96.623
Base-Backbone interact. energy: 1.408
local terms energy: -159.598474
where:
bonds (distance) C4'-P energy: -45.911
bonds (distance) P-C4' energy: -44.751
flat angles C4'-P-C4' energy: -40.999
flat angles P-C4'-P energy: -26.020
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: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -220.915212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.915212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.915212 (E_RNA)
where:
Base-Base interactions energy: -85.533
where: short stacking energy: -84.796
Base-Backbone interact. energy: -0.612
local terms energy: -134.770226
where:
bonds (distance) C4'-P energy: -40.127
bonds (distance) P-C4' energy: -47.746
flat angles C4'-P-C4' energy: -28.190
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -876.876516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.876516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.876516 (E_RNA)
where:
Base-Base interactions energy: -628.145
where: short stacking energy: -243.992
Base-Backbone interact. energy: -0.824
local terms energy: -247.907644
where:
bonds (distance) C4'-P energy: -49.855
bonds (distance) P-C4' energy: -52.423
flat angles C4'-P-C4' energy: -54.930
flat angles P-C4'-P energy: -31.385
tors. eta vs tors. theta energy: -59.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -829.600097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.600097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.600097 (E_RNA)
where:
Base-Base interactions energy: -569.709
where: short stacking energy: -270.461
Base-Backbone interact. energy: -0.309
local terms energy: -259.581878
where:
bonds (distance) C4'-P energy: -53.308
bonds (distance) P-C4' energy: -42.254
flat angles C4'-P-C4' energy: -50.706
flat angles P-C4'-P energy: -40.367
tors. eta vs tors. theta energy: -72.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -795.727305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.727305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.727305 (E_RNA)
where:
Base-Base interactions energy: -558.621
where: short stacking energy: -213.905
Base-Backbone interact. energy: -1.808
local terms energy: -235.298041
where:
bonds (distance) C4'-P energy: -50.731
bonds (distance) P-C4' energy: -49.072
flat angles C4'-P-C4' energy: -55.464
flat angles P-C4'-P energy: -31.783
tors. eta vs tors. theta energy: -48.248
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: 153
Temperature: 1.050000
Total energy: -742.579957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.579957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.579957 (E_RNA)
where:
Base-Base interactions energy: -504.244
where: short stacking energy: -211.349
Base-Backbone interact. energy: -1.070
local terms energy: -237.265174
where:
bonds (distance) C4'-P energy: -42.749
bonds (distance) P-C4' energy: -45.872
flat angles C4'-P-C4' energy: -51.380
flat angles P-C4'-P energy: -35.854
tors. eta vs tors. theta energy: -61.410
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: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -677.235296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.235296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.235296 (E_RNA)
where:
Base-Base interactions energy: -470.188
where: short stacking energy: -200.877
Base-Backbone interact. energy: 1.185
local terms energy: -208.232834
where:
bonds (distance) C4'-P energy: -35.632
bonds (distance) P-C4' energy: -38.738
flat angles C4'-P-C4' energy: -52.043
flat angles P-C4'-P energy: -34.728
tors. eta vs tors. theta energy: -47.092
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: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -671.322941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.322941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.322941 (E_RNA)
where:
Base-Base interactions energy: -466.604
where: short stacking energy: -207.839
Base-Backbone interact. energy: -0.459
local terms energy: -204.260250
where:
bonds (distance) C4'-P energy: -34.108
bonds (distance) P-C4' energy: -38.338
flat angles C4'-P-C4' energy: -48.372
flat angles P-C4'-P energy: -32.571
tors. eta vs tors. theta energy: -50.870
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: 7, replica: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -563.247176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.247176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.247176 (E_RNA)
where:
Base-Base interactions energy: -376.712
where: short stacking energy: -155.296
Base-Backbone interact. energy: 2.304
local terms energy: -188.839398
where:
bonds (distance) C4'-P energy: -36.957
bonds (distance) P-C4' energy: -47.528
flat angles C4'-P-C4' energy: -42.601
flat angles P-C4'-P energy: -26.076
tors. eta vs tors. theta energy: -35.678
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: 7
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -434.715951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.715951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.715951 (E_RNA)
where:
Base-Base interactions energy: -258.081
where: short stacking energy: -133.056
Base-Backbone interact. energy: -2.145
local terms energy: -174.490250
where:
bonds (distance) C4'-P energy: -48.471
bonds (distance) P-C4' energy: -39.424
flat angles C4'-P-C4' energy: -37.759
flat angles P-C4'-P energy: -25.593
tors. eta vs tors. theta energy: -23.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -349.932668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.932668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.932668 (E_RNA)
where:
Base-Base interactions energy: -192.392
where: short stacking energy: -83.797
Base-Backbone interact. energy: -0.609
local terms energy: -156.931936
where:
bonds (distance) C4'-P energy: -31.392
bonds (distance) P-C4' energy: -41.341
flat angles C4'-P-C4' energy: -44.912
flat angles P-C4'-P energy: -29.137
tors. eta vs tors. theta energy: -10.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -214.209728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.209728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.209728 (E_RNA)
where:
Base-Base interactions energy: -78.696
where: short stacking energy: -61.699
Base-Backbone interact. energy: -0.016
local terms energy: -135.497591
where:
bonds (distance) C4'-P energy: -42.554
bonds (distance) P-C4' energy: -52.458
flat angles C4'-P-C4' energy: -31.846
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: 5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -862.555868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.555868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.555868 (E_RNA)
where:
Base-Base interactions energy: -609.034
where: short stacking energy: -241.116
Base-Backbone interact. energy: -0.414
local terms energy: -253.108192
where:
bonds (distance) C4'-P energy: -45.728
bonds (distance) P-C4' energy: -53.504
flat angles C4'-P-C4' energy: -53.064
flat angles P-C4'-P energy: -38.657
tors. eta vs tors. theta energy: -62.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -824.640143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.640143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.640143 (E_RNA)
where:
Base-Base interactions energy: -564.739
where: short stacking energy: -264.638
Base-Backbone interact. energy: -0.082
local terms energy: -259.818901
where:
bonds (distance) C4'-P energy: -46.416
bonds (distance) P-C4' energy: -50.690
flat angles C4'-P-C4' energy: -50.130
flat angles P-C4'-P energy: -39.080
tors. eta vs tors. theta energy: -73.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -802.460883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.460883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.460883 (E_RNA)
where:
Base-Base interactions energy: -565.321
where: short stacking energy: -224.800
Base-Backbone interact. energy: 1.270
local terms energy: -238.409421
where:
bonds (distance) C4'-P energy: -37.858
bonds (distance) P-C4' energy: -45.456
flat angles C4'-P-C4' energy: -54.995
flat angles P-C4'-P energy: -38.151
tors. eta vs tors. theta energy: -61.950
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: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -731.166623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.166623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.166623 (E_RNA)
where:
Base-Base interactions energy: -502.241
where: short stacking energy: -218.316
Base-Backbone interact. energy: -0.846
local terms energy: -228.079732
where:
bonds (distance) C4'-P energy: -43.329
bonds (distance) P-C4' energy: -46.474
flat angles C4'-P-C4' energy: -51.506
flat angles P-C4'-P energy: -29.654
tors. eta vs tors. theta energy: -57.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -660.706391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.706391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.706391 (E_RNA)
where:
Base-Base interactions energy: -453.200
where: short stacking energy: -195.587
Base-Backbone interact. energy: -0.441
local terms energy: -207.065406
where:
bonds (distance) C4'-P energy: -35.957
bonds (distance) P-C4' energy: -45.708
flat angles C4'-P-C4' energy: -41.233
flat angles P-C4'-P energy: -34.147
tors. eta vs tors. theta energy: -50.020
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: 154
Temperature: 1.150000
Total energy: -635.125408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.125408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.125408 (E_RNA)
where:
Base-Base interactions energy: -436.191
where: short stacking energy: -193.554
Base-Backbone interact. energy: 2.643
local terms energy: -201.577639
where:
bonds (distance) C4'-P energy: -34.118
bonds (distance) P-C4' energy: -43.236
flat angles C4'-P-C4' energy: -48.986
flat angles P-C4'-P energy: -28.016
tors. eta vs tors. theta energy: -47.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -590.273745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.273745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.273745 (E_RNA)
where:
Base-Base interactions energy: -383.266
where: short stacking energy: -171.064
Base-Backbone interact. energy: -0.909
local terms energy: -206.098644
where:
bonds (distance) C4'-P energy: -39.058
bonds (distance) P-C4' energy: -38.615
flat angles C4'-P-C4' energy: -46.601
flat angles P-C4'-P energy: -32.659
tors. eta vs tors. theta energy: -49.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -430.402246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.402246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.402246 (E_RNA)
where:
Base-Base interactions energy: -256.456
where: short stacking energy: -154.646
Base-Backbone interact. energy: -0.456
local terms energy: -173.490325
where:
bonds (distance) C4'-P energy: -37.863
bonds (distance) P-C4' energy: -49.955
flat angles C4'-P-C4' energy: -28.077
flat angles P-C4'-P energy: -24.313
tors. eta vs tors. theta energy: -33.282
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: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -395.211674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.211674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.211674 (E_RNA)
where:
Base-Base interactions energy: -223.608
where: short stacking energy: -111.550
Base-Backbone interact. energy: 4.054
local terms energy: -175.657819
where:
bonds (distance) C4'-P energy: -43.674
bonds (distance) P-C4' energy: -39.638
flat angles C4'-P-C4' energy: -41.669
flat angles P-C4'-P energy: -30.198
tors. eta vs tors. theta energy: -20.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -223.965552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.965552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.965552 (E_RNA)
where:
Base-Base interactions energy: -78.004
where: short stacking energy: -66.962
Base-Backbone interact. energy: 4.898
local terms energy: -150.860019
where:
bonds (distance) C4'-P energy: -39.059
bonds (distance) P-C4' energy: -47.859
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -25.460
tors. eta vs tors. theta energy: -7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -864.678630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.678630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.678630 (E_RNA)
where:
Base-Base interactions energy: -606.613
where: short stacking energy: -246.292
Base-Backbone interact. energy: 0.014
local terms energy: -258.080188
where:
bonds (distance) C4'-P energy: -52.891
bonds (distance) P-C4' energy: -46.538
flat angles C4'-P-C4' energy: -57.447
flat angles P-C4'-P energy: -37.382
tors. eta vs tors. theta energy: -63.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -812.971703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.971703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.971703 (E_RNA)
where:
Base-Base interactions energy: -562.332
where: short stacking energy: -252.053
Base-Backbone interact. energy: -0.283
local terms energy: -250.356518
where:
bonds (distance) C4'-P energy: -43.486
bonds (distance) P-C4' energy: -42.206
flat angles C4'-P-C4' energy: -51.763
flat angles P-C4'-P energy: -34.411
tors. eta vs tors. theta energy: -78.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -804.498245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.498245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.498245 (E_RNA)
where:
Base-Base interactions energy: -570.912
where: short stacking energy: -221.472
Base-Backbone interact. energy: -0.998
local terms energy: -232.588062
where:
bonds (distance) C4'-P energy: -43.306
bonds (distance) P-C4' energy: -49.679
flat angles C4'-P-C4' energy: -50.494
flat angles P-C4'-P energy: -35.397
tors. eta vs tors. theta energy: -53.712
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: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -724.333825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.333825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.333825 (E_RNA)
where:
Base-Base interactions energy: -485.341
where: short stacking energy: -203.201
Base-Backbone interact. energy: -1.088
local terms energy: -237.904139
where:
bonds (distance) C4'-P energy: -46.986
bonds (distance) P-C4' energy: -50.380
flat angles C4'-P-C4' energy: -53.386
flat angles P-C4'-P energy: -32.515
tors. eta vs tors. theta energy: -54.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -665.704904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.704904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.704904 (E_RNA)
where:
Base-Base interactions energy: -450.047
where: short stacking energy: -204.836
Base-Backbone interact. energy: -0.833
local terms energy: -214.825343
where:
bonds (distance) C4'-P energy: -47.456
bonds (distance) P-C4' energy: -44.113
flat angles C4'-P-C4' energy: -49.146
flat angles P-C4'-P energy: -24.589
tors. eta vs tors. theta energy: -49.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -661.160966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.160966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.160966 (E_RNA)
where:
Base-Base interactions energy: -441.388
where: short stacking energy: -197.484
Base-Backbone interact. energy: -0.710
local terms energy: -219.062325
where:
bonds (distance) C4'-P energy: -38.302
bonds (distance) P-C4' energy: -51.107
flat angles C4'-P-C4' energy: -48.061
flat angles P-C4'-P energy: -28.826
tors. eta vs tors. theta energy: -52.766
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: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -579.561791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.561791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.561791 (E_RNA)
where:
Base-Base interactions energy: -383.788
where: short stacking energy: -182.434
Base-Backbone interact. energy: -0.391
local terms energy: -195.382713
where:
bonds (distance) C4'-P energy: -29.091
bonds (distance) P-C4' energy: -43.590
flat angles C4'-P-C4' energy: -40.471
flat angles P-C4'-P energy: -29.940
tors. eta vs tors. theta energy: -52.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -432.789482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.789482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.789482 (E_RNA)
where:
Base-Base interactions energy: -259.304
where: short stacking energy: -140.122
Base-Backbone interact. energy: -2.273
local terms energy: -171.212135
where:
bonds (distance) C4'-P energy: -32.980
bonds (distance) P-C4' energy: -34.682
flat angles C4'-P-C4' energy: -50.864
flat angles P-C4'-P energy: -33.648
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -244.381391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.381391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.381391 (E_RNA)
where:
Base-Base interactions energy: -93.831
where: short stacking energy: -59.769
Base-Backbone interact. energy: 0.784
local terms energy: -151.333727
where:
bonds (distance) C4'-P energy: -45.001
bonds (distance) P-C4' energy: -42.741
flat angles C4'-P-C4' energy: -45.583
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -220.274678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.274678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.274678 (E_RNA)
where:
Base-Base interactions energy: -82.769
where: short stacking energy: -69.391
Base-Backbone interact. energy: 0.026
local terms energy: -137.531957
where:
bonds (distance) C4'-P energy: -39.285
bonds (distance) P-C4' energy: -46.925
flat angles C4'-P-C4' energy: -26.724
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -837.178363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.178363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.178363 (E_RNA)
where:
Base-Base interactions energy: -584.766
where: short stacking energy: -263.967
Base-Backbone interact. energy: -0.430
local terms energy: -251.982104
where:
bonds (distance) C4'-P energy: -43.859
bonds (distance) P-C4' energy: -45.913
flat angles C4'-P-C4' energy: -57.933
flat angles P-C4'-P energy: -32.671
tors. eta vs tors. theta energy: -71.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -830.044973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.044973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.044973 (E_RNA)
where:
Base-Base interactions energy: -598.001
where: short stacking energy: -238.040
Base-Backbone interact. energy: -1.627
local terms energy: -230.417758
where:
bonds (distance) C4'-P energy: -36.228
bonds (distance) P-C4' energy: -47.854
flat angles C4'-P-C4' energy: -56.105
flat angles P-C4'-P energy: -37.484
tors. eta vs tors. theta energy: -52.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -787.880389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.880389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.880389 (E_RNA)
where:
Base-Base interactions energy: -574.644
where: short stacking energy: -225.760
Base-Backbone interact. energy: -1.274
local terms energy: -211.962889
where:
bonds (distance) C4'-P energy: -40.777
bonds (distance) P-C4' energy: -41.036
flat angles C4'-P-C4' energy: -44.851
flat angles P-C4'-P energy: -34.915
tors. eta vs tors. theta energy: -50.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -720.022175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.022175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.022175 (E_RNA)
where:
Base-Base interactions energy: -485.963
where: short stacking energy: -227.112
Base-Backbone interact. energy: 1.845
local terms energy: -235.904376
where:
bonds (distance) C4'-P energy: -51.206
bonds (distance) P-C4' energy: -39.815
flat angles C4'-P-C4' energy: -50.711
flat angles P-C4'-P energy: -39.831
tors. eta vs tors. theta energy: -54.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -662.799480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.799480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.799480 (E_RNA)
where:
Base-Base interactions energy: -437.588
where: short stacking energy: -180.617
Base-Backbone interact. energy: -0.560
local terms energy: -224.650565
where:
bonds (distance) C4'-P energy: -39.326
bonds (distance) P-C4' energy: -45.610
flat angles C4'-P-C4' energy: -50.909
flat angles P-C4'-P energy: -39.135
tors. eta vs tors. theta energy: -49.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -633.413401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.413401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.413401 (E_RNA)
where:
Base-Base interactions energy: -418.746
where: short stacking energy: -187.697
Base-Backbone interact. energy: -1.340
local terms energy: -213.326508
where:
bonds (distance) C4'-P energy: -45.568
bonds (distance) P-C4' energy: -44.337
flat angles C4'-P-C4' energy: -47.577
flat angles P-C4'-P energy: -28.707
tors. eta vs tors. theta energy: -47.137
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: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -577.879568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.879568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.879568 (E_RNA)
where:
Base-Base interactions energy: -384.075
where: short stacking energy: -181.569
Base-Backbone interact. energy: 0.008
local terms energy: -193.812431
where:
bonds (distance) C4'-P energy: -36.935
bonds (distance) P-C4' energy: -48.913
flat angles C4'-P-C4' energy: -42.224
flat angles P-C4'-P energy: -26.162
tors. eta vs tors. theta energy: -39.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -427.284229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.284229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.284229 (E_RNA)
where:
Base-Base interactions energy: -251.429
where: short stacking energy: -137.009
Base-Backbone interact. energy: -0.585
local terms energy: -175.270086
where:
bonds (distance) C4'-P energy: -47.608
bonds (distance) P-C4' energy: -43.594
flat angles C4'-P-C4' energy: -32.129
flat angles P-C4'-P energy: -30.164
tors. eta vs tors. theta energy: -21.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -277.911443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.911443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.911443 (E_RNA)
where:
Base-Base interactions energy: -158.482
where: short stacking energy: -82.459
Base-Backbone interact. energy: 2.270
local terms energy: -121.699407
where:
bonds (distance) C4'-P energy: -37.206
bonds (distance) P-C4' energy: -32.598
flat angles C4'-P-C4' energy: -32.266
flat angles P-C4'-P energy: -20.679
tors. eta vs tors. theta energy: 1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -204.692201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.692201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.692201 (E_RNA)
where:
Base-Base interactions energy: -85.573
where: short stacking energy: -71.956
Base-Backbone interact. energy: -1.253
local terms energy: -117.866742
where:
bonds (distance) C4'-P energy: -33.140
bonds (distance) P-C4' energy: -28.699
flat angles C4'-P-C4' energy: -32.788
flat angles P-C4'-P energy: -26.014
tors. eta vs tors. theta energy: 2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -830.560296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.560296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.560296 (E_RNA)
where:
Base-Base interactions energy: -567.687
where: short stacking energy: -251.905
Base-Backbone interact. energy: -0.004
local terms energy: -262.868958
where:
bonds (distance) C4'-P energy: -38.785
bonds (distance) P-C4' energy: -53.210
flat angles C4'-P-C4' energy: -49.109
flat angles P-C4'-P energy: -42.325
tors. eta vs tors. theta energy: -79.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -818.002865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.002865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.002865 (E_RNA)
where:
Base-Base interactions energy: -582.759
where: short stacking energy: -232.056
Base-Backbone interact. energy: -1.035
local terms energy: -234.208602
where:
bonds (distance) C4'-P energy: -37.975
bonds (distance) P-C4' energy: -46.564
flat angles C4'-P-C4' energy: -55.878
flat angles P-C4'-P energy: -38.177
tors. eta vs tors. theta energy: -55.615
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: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -789.704240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.704240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.704240 (E_RNA)
where:
Base-Base interactions energy: -544.272
where: short stacking energy: -221.663
Base-Backbone interact. energy: 0.012
local terms energy: -245.444435
where:
bonds (distance) C4'-P energy: -46.746
bonds (distance) P-C4' energy: -52.855
flat angles C4'-P-C4' energy: -57.283
flat angles P-C4'-P energy: -28.903
tors. eta vs tors. theta energy: -59.657
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: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -723.535147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.535147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.535147 (E_RNA)
where:
Base-Base interactions energy: -501.278
where: short stacking energy: -231.973
Base-Backbone interact. energy: -0.771
local terms energy: -221.486473
where:
bonds (distance) C4'-P energy: -45.216
bonds (distance) P-C4' energy: -33.566
flat angles C4'-P-C4' energy: -51.835
flat angles P-C4'-P energy: -28.393
tors. eta vs tors. theta energy: -62.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -669.979389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.979389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.979389 (E_RNA)
where:
Base-Base interactions energy: -456.691
where: short stacking energy: -196.626
Base-Backbone interact. energy: -0.838
local terms energy: -212.450457
where:
bonds (distance) C4'-P energy: -37.717
bonds (distance) P-C4' energy: -49.906
flat angles C4'-P-C4' energy: -38.115
flat angles P-C4'-P energy: -27.010
tors. eta vs tors. theta energy: -59.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -643.378420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.378420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.378420 (E_RNA)
where:
Base-Base interactions energy: -430.127
where: short stacking energy: -195.444
Base-Backbone interact. energy: -0.240
local terms energy: -213.011431
where:
bonds (distance) C4'-P energy: -46.570
bonds (distance) P-C4' energy: -38.593
flat angles C4'-P-C4' energy: -43.917
flat angles P-C4'-P energy: -30.635
tors. eta vs tors. theta energy: -53.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -605.113230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.113230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.113230 (E_RNA)
where:
Base-Base interactions energy: -408.139
where: short stacking energy: -188.885
Base-Backbone interact. energy: -0.924
local terms energy: -196.049835
where:
bonds (distance) C4'-P energy: -42.964
bonds (distance) P-C4' energy: -39.575
flat angles C4'-P-C4' energy: -45.596
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -47.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -456.286309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.286309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.286309 (E_RNA)
where:
Base-Base interactions energy: -277.338
where: short stacking energy: -139.256
Base-Backbone interact. energy: -0.644
local terms energy: -178.303766
where:
bonds (distance) C4'-P energy: -33.200
bonds (distance) P-C4' energy: -45.335
flat angles C4'-P-C4' energy: -40.944
flat angles P-C4'-P energy: -29.306
tors. eta vs tors. theta energy: -29.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -316.389767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.389767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.389767 (E_RNA)
where:
Base-Base interactions energy: -171.824
where: short stacking energy: -92.271
Base-Backbone interact. energy: 1.568
local terms energy: -146.133631
where:
bonds (distance) C4'-P energy: -40.043
bonds (distance) P-C4' energy: -45.244
flat angles C4'-P-C4' energy: -40.571
flat angles P-C4'-P energy: -21.113
tors. eta vs tors. theta energy: 0.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -208.446569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.446569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.446569 (E_RNA)
where:
Base-Base interactions energy: -86.441
where: short stacking energy: -52.913
Base-Backbone interact. energy: -2.455
local terms energy: -119.550255
where:
bonds (distance) C4'-P energy: -35.855
bonds (distance) P-C4' energy: -40.888
flat angles C4'-P-C4' energy: -33.391
flat angles P-C4'-P energy: -19.992
tors. eta vs tors. theta energy: 10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -850.875429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.875429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.875429 (E_RNA)
where:
Base-Base interactions energy: -605.680
where: short stacking energy: -229.744
Base-Backbone interact. energy: -1.729
local terms energy: -243.466849
where:
bonds (distance) C4'-P energy: -46.333
bonds (distance) P-C4' energy: -47.229
flat angles C4'-P-C4' energy: -55.709
flat angles P-C4'-P energy: -36.908
tors. eta vs tors. theta energy: -57.287
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: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -839.191291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.191291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.191291 (E_RNA)
where:
Base-Base interactions energy: -585.631
where: short stacking energy: -268.889
Base-Backbone interact. energy: -0.462
local terms energy: -253.098169
where:
bonds (distance) C4'-P energy: -43.335
bonds (distance) P-C4' energy: -44.175
flat angles C4'-P-C4' energy: -56.832
flat angles P-C4'-P energy: -33.435
tors. eta vs tors. theta energy: -75.321
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: 3, replica: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -792.523690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.523690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.523690 (E_RNA)
where:
Base-Base interactions energy: -553.081
where: short stacking energy: -244.588
Base-Backbone interact. energy: -0.326
local terms energy: -239.117093
where:
bonds (distance) C4'-P energy: -47.082
bonds (distance) P-C4' energy: -47.502
flat angles C4'-P-C4' energy: -56.495
flat angles P-C4'-P energy: -25.627
tors. eta vs tors. theta energy: -62.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -748.057106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.057106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.057106 (E_RNA)
where:
Base-Base interactions energy: -513.226
where: short stacking energy: -223.608
Base-Backbone interact. energy: -0.883
local terms energy: -233.948270
where:
bonds (distance) C4'-P energy: -41.522
bonds (distance) P-C4' energy: -44.447
flat angles C4'-P-C4' energy: -51.655
flat angles P-C4'-P energy: -41.332
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: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -687.105207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.105207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.105207 (E_RNA)
where:
Base-Base interactions energy: -452.147
where: short stacking energy: -201.451
Base-Backbone interact. energy: -0.620
local terms energy: -234.338807
where:
bonds (distance) C4'-P energy: -42.082
bonds (distance) P-C4' energy: -52.971
flat angles C4'-P-C4' energy: -45.388
flat angles P-C4'-P energy: -30.809
tors. eta vs tors. theta energy: -63.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -635.274326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.274326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.274326 (E_RNA)
where:
Base-Base interactions energy: -406.553
where: short stacking energy: -174.130
Base-Backbone interact. energy: 5.106
local terms energy: -233.827567
where:
bonds (distance) C4'-P energy: -53.109
bonds (distance) P-C4' energy: -54.921
flat angles C4'-P-C4' energy: -49.209
flat angles P-C4'-P energy: -31.466
tors. eta vs tors. theta energy: -45.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -601.028082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.028082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.028082 (E_RNA)
where:
Base-Base interactions energy: -381.389
where: short stacking energy: -191.049
Base-Backbone interact. energy: -0.799
local terms energy: -218.839660
where:
bonds (distance) C4'-P energy: -40.994
bonds (distance) P-C4' energy: -46.712
flat angles C4'-P-C4' energy: -44.996
flat angles P-C4'-P energy: -31.010
tors. eta vs tors. theta energy: -55.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -433.294408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.294408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.294408 (E_RNA)
where:
Base-Base interactions energy: -261.444
where: short stacking energy: -129.385
Base-Backbone interact. energy: -2.291
local terms energy: -169.558827
where:
bonds (distance) C4'-P energy: -36.196
bonds (distance) P-C4' energy: -41.293
flat angles C4'-P-C4' energy: -29.309
flat angles P-C4'-P energy: -36.643
tors. eta vs tors. theta energy: -26.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -351.046819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.046819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.046819 (E_RNA)
where:
Base-Base interactions energy: -208.060
where: short stacking energy: -96.148
Base-Backbone interact. energy: -0.314
local terms energy: -142.673283
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -40.143
flat angles C4'-P-C4' energy: -40.775
flat angles P-C4'-P energy: -29.373
tors. eta vs tors. theta energy: -9.668
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: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -206.484843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.484843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.484843 (E_RNA)
where:
Base-Base interactions energy: -66.967
where: short stacking energy: -54.415
Base-Backbone interact. energy: -0.632
local terms energy: -138.886093
where:
bonds (distance) C4'-P energy: -40.240
bonds (distance) P-C4' energy: -51.274
flat angles C4'-P-C4' energy: -34.640
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: 4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -859.643421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.643421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.643421 (E_RNA)
where:
Base-Base interactions energy: -611.013
where: short stacking energy: -246.753
Base-Backbone interact. energy: -1.496
local terms energy: -247.134409
where:
bonds (distance) C4'-P energy: -51.866
bonds (distance) P-C4' energy: -42.309
flat angles C4'-P-C4' energy: -55.824
flat angles P-C4'-P energy: -36.135
tors. eta vs tors. theta energy: -61.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -813.036097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.036097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.036097 (E_RNA)
where:
Base-Base interactions energy: -553.079
where: short stacking energy: -255.359
Base-Backbone interact. energy: -0.314
local terms energy: -259.642703
where:
bonds (distance) C4'-P energy: -39.103
bonds (distance) P-C4' energy: -46.821
flat angles C4'-P-C4' energy: -58.690
flat angles P-C4'-P energy: -39.722
tors. eta vs tors. theta energy: -75.307
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: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -775.433313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.433313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.433313 (E_RNA)
where:
Base-Base interactions energy: -546.829
where: short stacking energy: -232.883
Base-Backbone interact. energy: 1.895
local terms energy: -230.499813
where:
bonds (distance) C4'-P energy: -38.010
bonds (distance) P-C4' energy: -42.066
flat angles C4'-P-C4' energy: -57.057
flat angles P-C4'-P energy: -34.063
tors. eta vs tors. theta energy: -59.302
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: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -702.909996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.909996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.909996 (E_RNA)
where:
Base-Base interactions energy: -480.990
where: short stacking energy: -228.586
Base-Backbone interact. energy: -0.564
local terms energy: -221.356555
where:
bonds (distance) C4'-P energy: -43.066
bonds (distance) P-C4' energy: -47.673
flat angles C4'-P-C4' energy: -47.260
flat angles P-C4'-P energy: -26.812
tors. eta vs tors. theta energy: -56.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -678.933539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.933539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.933539 (E_RNA)
where:
Base-Base interactions energy: -457.113
where: short stacking energy: -199.592
Base-Backbone interact. energy: 0.165
local terms energy: -221.985319
where:
bonds (distance) C4'-P energy: -46.389
bonds (distance) P-C4' energy: -41.341
flat angles C4'-P-C4' energy: -45.291
flat angles P-C4'-P energy: -35.342
tors. eta vs tors. theta energy: -53.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -642.360274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.360274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.360274 (E_RNA)
where:
Base-Base interactions energy: -429.024
where: short stacking energy: -203.120
Base-Backbone interact. energy: 1.336
local terms energy: -214.671865
where:
bonds (distance) C4'-P energy: -34.563
bonds (distance) P-C4' energy: -54.422
flat angles C4'-P-C4' energy: -52.544
flat angles P-C4'-P energy: -20.900
tors. eta vs tors. theta energy: -52.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -576.787652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.787652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.787652 (E_RNA)
where:
Base-Base interactions energy: -383.965
where: short stacking energy: -184.510
Base-Backbone interact. energy: -1.795
local terms energy: -191.027691
where:
bonds (distance) C4'-P energy: -39.811
bonds (distance) P-C4' energy: -39.269
flat angles C4'-P-C4' energy: -42.554
flat angles P-C4'-P energy: -29.682
tors. eta vs tors. theta energy: -39.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -434.818928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.818928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.818928 (E_RNA)
where:
Base-Base interactions energy: -259.433
where: short stacking energy: -129.207
Base-Backbone interact. energy: -1.607
local terms energy: -173.779157
where:
bonds (distance) C4'-P energy: -35.111
bonds (distance) P-C4' energy: -39.126
flat angles C4'-P-C4' energy: -44.281
flat angles P-C4'-P energy: -26.223
tors. eta vs tors. theta energy: -29.039
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: 3
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -370.331257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.331257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.331257 (E_RNA)
where:
Base-Base interactions energy: -228.120
where: short stacking energy: -108.974
Base-Backbone interact. energy: 4.267
local terms energy: -146.478899
where:
bonds (distance) C4'-P energy: -41.936
bonds (distance) P-C4' energy: -45.198
flat angles C4'-P-C4' energy: -31.920
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: -5.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -221.266040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.266040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.266040 (E_RNA)
where:
Base-Base interactions energy: -81.726
where: short stacking energy: -64.292
Base-Backbone interact. energy: -1.837
local terms energy: -137.703751
where:
bonds (distance) C4'-P energy: -35.878
bonds (distance) P-C4' energy: -49.288
flat angles C4'-P-C4' energy: -33.662
flat angles P-C4'-P energy: -23.096
tors. eta vs tors. theta energy: 4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -867.095598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.095598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.095598 (E_RNA)
where:
Base-Base interactions energy: -624.006
where: short stacking energy: -232.690
Base-Backbone interact. energy: -1.637
local terms energy: -241.451981
where:
bonds (distance) C4'-P energy: -42.260
bonds (distance) P-C4' energy: -49.698
flat angles C4'-P-C4' energy: -57.590
flat angles P-C4'-P energy: -33.026
tors. eta vs tors. theta energy: -58.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -815.224999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.224999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.224999 (E_RNA)
where:
Base-Base interactions energy: -561.120
where: short stacking energy: -243.143
Base-Backbone interact. energy: -0.527
local terms energy: -253.578336
where:
bonds (distance) C4'-P energy: -46.452
bonds (distance) P-C4' energy: -50.009
flat angles C4'-P-C4' energy: -50.569
flat angles P-C4'-P energy: -39.199
tors. eta vs tors. theta energy: -67.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -772.249275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.249275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.249275 (E_RNA)
where:
Base-Base interactions energy: -548.539
where: short stacking energy: -232.131
Base-Backbone interact. energy: 2.053
local terms energy: -225.763312
where:
bonds (distance) C4'-P energy: -45.391
bonds (distance) P-C4' energy: -49.106
flat angles C4'-P-C4' energy: -50.026
flat angles P-C4'-P energy: -24.811
tors. eta vs tors. theta energy: -56.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -711.666658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.666658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.666658 (E_RNA)
where:
Base-Base interactions energy: -490.486
where: short stacking energy: -217.593
Base-Backbone interact. energy: -1.318
local terms energy: -219.863176
where:
bonds (distance) C4'-P energy: -39.643
bonds (distance) P-C4' energy: -44.181
flat angles C4'-P-C4' energy: -47.007
flat angles P-C4'-P energy: -32.337
tors. eta vs tors. theta energy: -56.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -669.526759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.526759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.526759 (E_RNA)
where:
Base-Base interactions energy: -458.663
where: short stacking energy: -196.235
Base-Backbone interact. energy: -2.533
local terms energy: -208.331456
where:
bonds (distance) C4'-P energy: -38.624
bonds (distance) P-C4' energy: -44.132
flat angles C4'-P-C4' energy: -42.112
flat angles P-C4'-P energy: -32.363
tors. eta vs tors. theta energy: -51.101
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: 6, replica: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -635.833875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.833875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.833875 (E_RNA)
where:
Base-Base interactions energy: -439.134
where: short stacking energy: -206.731
Base-Backbone interact. energy: -0.120
local terms energy: -196.579502
where:
bonds (distance) C4'-P energy: -37.290
bonds (distance) P-C4' energy: -44.362
flat angles C4'-P-C4' energy: -43.443
flat angles P-C4'-P energy: -24.569
tors. eta vs tors. theta energy: -46.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -576.889998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.889998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.889998 (E_RNA)
where:
Base-Base interactions energy: -369.832
where: short stacking energy: -159.288
Base-Backbone interact. energy: -0.983
local terms energy: -206.074827
where:
bonds (distance) C4'-P energy: -43.947
bonds (distance) P-C4' energy: -43.122
flat angles C4'-P-C4' energy: -39.896
flat angles P-C4'-P energy: -38.292
tors. eta vs tors. theta energy: -40.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -424.157508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.157508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.157508 (E_RNA)
where:
Base-Base interactions energy: -262.350
where: short stacking energy: -141.075
Base-Backbone interact. energy: 0.647
local terms energy: -162.455100
where:
bonds (distance) C4'-P energy: -45.661
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -43.372
flat angles P-C4'-P energy: -25.835
tors. eta vs tors. theta energy: -21.977
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: 3
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -295.709132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.709132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.709132 (E_RNA)
where:
Base-Base interactions energy: -144.126
where: short stacking energy: -94.949
Base-Backbone interact. energy: -0.371
local terms energy: -151.212142
where:
bonds (distance) C4'-P energy: -42.276
bonds (distance) P-C4' energy: -41.633
flat angles C4'-P-C4' energy: -32.795
flat angles P-C4'-P energy: -23.046
tors. eta vs tors. theta energy: -11.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -211.892566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.892566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.892566 (E_RNA)
where:
Base-Base interactions energy: -73.381
where: short stacking energy: -43.622
Base-Backbone interact. energy: 0.448
local terms energy: -138.959530
where:
bonds (distance) C4'-P energy: -42.965
bonds (distance) P-C4' energy: -48.048
flat angles C4'-P-C4' energy: -28.225
flat angles P-C4'-P energy: -28.323
tors. eta vs tors. theta energy: 8.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -860.686263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.686263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.686263 (E_RNA)
where:
Base-Base interactions energy: -609.442
where: short stacking energy: -245.429
Base-Backbone interact. energy: -1.956
local terms energy: -249.287701
where:
bonds (distance) C4'-P energy: -47.671
bonds (distance) P-C4' energy: -46.892
flat angles C4'-P-C4' energy: -58.263
flat angles P-C4'-P energy: -37.005
tors. eta vs tors. theta energy: -59.457
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: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -826.953056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.953056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.953056 (E_RNA)
where:
Base-Base interactions energy: -566.930
where: short stacking energy: -253.776
Base-Backbone interact. energy: -0.525
local terms energy: -259.497431
where:
bonds (distance) C4'-P energy: -42.771
bonds (distance) P-C4' energy: -45.486
flat angles C4'-P-C4' energy: -59.769
flat angles P-C4'-P energy: -35.336
tors. eta vs tors. theta energy: -76.135
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: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -772.414955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.414955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.414955 (E_RNA)
where:
Base-Base interactions energy: -538.580
where: short stacking energy: -225.273
Base-Backbone interact. energy: 2.753
local terms energy: -236.588182
where:
bonds (distance) C4'-P energy: -39.586
bonds (distance) P-C4' energy: -47.963
flat angles C4'-P-C4' energy: -55.297
flat angles P-C4'-P energy: -32.307
tors. eta vs tors. theta energy: -61.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -708.077386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.077386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.077386 (E_RNA)
where:
Base-Base interactions energy: -470.440
where: short stacking energy: -226.906
Base-Backbone interact. energy: 2.632
local terms energy: -240.269554
where:
bonds (distance) C4'-P energy: -41.263
bonds (distance) P-C4' energy: -49.391
flat angles C4'-P-C4' energy: -47.301
flat angles P-C4'-P energy: -35.087
tors. eta vs tors. theta energy: -67.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -681.192159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.192159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.192159 (E_RNA)
where:
Base-Base interactions energy: -454.703
where: short stacking energy: -211.909
Base-Backbone interact. energy: -1.412
local terms energy: -225.076791
where:
bonds (distance) C4'-P energy: -43.594
bonds (distance) P-C4' energy: -40.586
flat angles C4'-P-C4' energy: -49.086
flat angles P-C4'-P energy: -31.829
tors. eta vs tors. theta energy: -59.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -634.178160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.178160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.178160 (E_RNA)
where:
Base-Base interactions energy: -420.774
where: short stacking energy: -185.971
Base-Backbone interact. energy: -0.939
local terms energy: -212.464856
where:
bonds (distance) C4'-P energy: -41.609
bonds (distance) P-C4' energy: -43.110
flat angles C4'-P-C4' energy: -50.904
flat angles P-C4'-P energy: -33.098
tors. eta vs tors. theta energy: -43.744
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: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -570.590500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.590500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.590500 (E_RNA)
where:
Base-Base interactions energy: -377.176
where: short stacking energy: -169.689
Base-Backbone interact. energy: 1.272
local terms energy: -194.686221
where:
bonds (distance) C4'-P energy: -40.703
bonds (distance) P-C4' energy: -39.901
flat angles C4'-P-C4' energy: -47.034
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: -40.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -422.097149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.097149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.097149 (E_RNA)
where:
Base-Base interactions energy: -266.024
where: short stacking energy: -120.619
Base-Backbone interact. energy: -0.336
local terms energy: -155.737224
where:
bonds (distance) C4'-P energy: -33.785
bonds (distance) P-C4' energy: -45.764
flat angles C4'-P-C4' energy: -33.765
flat angles P-C4'-P energy: -26.557
tors. eta vs tors. theta energy: -15.867
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: 3
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -238.064513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.064513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.064513 (E_RNA)
where:
Base-Base interactions energy: -111.257
where: short stacking energy: -72.132
Base-Backbone interact. energy: 4.353
local terms energy: -131.160617
where:
bonds (distance) C4'-P energy: -28.436
bonds (distance) P-C4' energy: -48.113
flat angles C4'-P-C4' energy: -25.965
flat angles P-C4'-P energy: -26.920
tors. eta vs tors. theta energy: -1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -210.448517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.448517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.448517 (E_RNA)
where:
Base-Base interactions energy: -83.098
where: short stacking energy: -70.559
Base-Backbone interact. energy: 1.655
local terms energy: -129.006052
where:
bonds (distance) C4'-P energy: -29.745
bonds (distance) P-C4' energy: -45.987
flat angles C4'-P-C4' energy: -35.517
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -4.304
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: 162
Temperature: 0.900000
Total energy: -858.666933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.666933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.666933 (E_RNA)
where:
Base-Base interactions energy: -624.326
where: short stacking energy: -251.011
Base-Backbone interact. energy: -1.790
local terms energy: -232.550917
where:
bonds (distance) C4'-P energy: -40.439
bonds (distance) P-C4' energy: -43.629
flat angles C4'-P-C4' energy: -48.936
flat angles P-C4'-P energy: -35.510
tors. eta vs tors. theta energy: -64.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -822.305992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.305992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.305992 (E_RNA)
where:
Base-Base interactions energy: -577.741
where: short stacking energy: -246.475
Base-Backbone interact. energy: -0.549
local terms energy: -244.016249
where:
bonds (distance) C4'-P energy: -42.636
bonds (distance) P-C4' energy: -46.321
flat angles C4'-P-C4' energy: -50.309
flat angles P-C4'-P energy: -36.034
tors. eta vs tors. theta energy: -68.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -771.176833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.176833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.176833 (E_RNA)
where:
Base-Base interactions energy: -520.722
where: short stacking energy: -224.034
Base-Backbone interact. energy: -0.223
local terms energy: -250.232021
where:
bonds (distance) C4'-P energy: -49.662
bonds (distance) P-C4' energy: -53.199
flat angles C4'-P-C4' energy: -53.874
flat angles P-C4'-P energy: -37.224
tors. eta vs tors. theta energy: -56.274
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: 4, replica: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -695.090732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.090732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.090732 (E_RNA)
where:
Base-Base interactions energy: -472.976
where: short stacking energy: -202.529
Base-Backbone interact. energy: 0.010
local terms energy: -222.125603
where:
bonds (distance) C4'-P energy: -47.468
bonds (distance) P-C4' energy: -38.229
flat angles C4'-P-C4' energy: -43.873
flat angles P-C4'-P energy: -36.756
tors. eta vs tors. theta energy: -55.799
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: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -656.667912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.667912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.667912 (E_RNA)
where:
Base-Base interactions energy: -433.162
where: short stacking energy: -192.590
Base-Backbone interact. energy: 0.195
local terms energy: -223.701349
where:
bonds (distance) C4'-P energy: -47.143
bonds (distance) P-C4' energy: -43.732
flat angles C4'-P-C4' energy: -50.818
flat angles P-C4'-P energy: -30.834
tors. eta vs tors. theta energy: -51.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -644.391968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.391968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.391968 (E_RNA)
where:
Base-Base interactions energy: -428.493
where: short stacking energy: -199.173
Base-Backbone interact. energy: -1.003
local terms energy: -214.896701
where:
bonds (distance) C4'-P energy: -44.650
bonds (distance) P-C4' energy: -43.624
flat angles C4'-P-C4' energy: -45.943
flat angles P-C4'-P energy: -26.857
tors. eta vs tors. theta energy: -53.822
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: 9
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -606.000775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.000775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.000775 (E_RNA)
where:
Base-Base interactions energy: -406.844
where: short stacking energy: -193.728
Base-Backbone interact. energy: -0.226
local terms energy: -198.930333
where:
bonds (distance) C4'-P energy: -34.747
bonds (distance) P-C4' energy: -42.727
flat angles C4'-P-C4' energy: -41.574
flat angles P-C4'-P energy: -34.146
tors. eta vs tors. theta energy: -45.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -410.061593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.061593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.061593 (E_RNA)
where:
Base-Base interactions energy: -245.532
where: short stacking energy: -120.585
Base-Backbone interact. energy: -0.039
local terms energy: -164.490638
where:
bonds (distance) C4'-P energy: -32.415
bonds (distance) P-C4' energy: -47.182
flat angles C4'-P-C4' energy: -39.583
flat angles P-C4'-P energy: -29.981
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -218.769122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.769122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.769122 (E_RNA)
where:
Base-Base interactions energy: -73.868
where: short stacking energy: -66.233
Base-Backbone interact. energy: -0.895
local terms energy: -144.005354
where:
bonds (distance) C4'-P energy: -30.683
bonds (distance) P-C4' energy: -34.170
flat angles C4'-P-C4' energy: -48.451
flat angles P-C4'-P energy: -19.516
tors. eta vs tors. theta energy: -11.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -221.152996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.152996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.152996 (E_RNA)
where:
Base-Base interactions energy: -79.682
where: short stacking energy: -71.790
Base-Backbone interact. energy: 0.325
local terms energy: -141.796419
where:
bonds (distance) C4'-P energy: -40.243
bonds (distance) P-C4' energy: -37.509
flat angles C4'-P-C4' energy: -41.458
flat angles P-C4'-P energy: -19.341
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -856.235610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.235610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.235610 (E_RNA)
where:
Base-Base interactions energy: -604.002
where: short stacking energy: -246.769
Base-Backbone interact. energy: -0.998
local terms energy: -251.235357
where:
bonds (distance) C4'-P energy: -50.540
bonds (distance) P-C4' energy: -50.120
flat angles C4'-P-C4' energy: -53.059
flat angles P-C4'-P energy: -36.021
tors. eta vs tors. theta energy: -61.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -808.073395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.073395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.073395 (E_RNA)
where:
Base-Base interactions energy: -564.567
where: short stacking energy: -262.621
Base-Backbone interact. energy: 0.612
local terms energy: -244.118141
where:
bonds (distance) C4'-P energy: -37.965
bonds (distance) P-C4' energy: -46.992
flat angles C4'-P-C4' energy: -54.238
flat angles P-C4'-P energy: -33.237
tors. eta vs tors. theta energy: -71.687
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: 4
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -804.852241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.852241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.852241 (E_RNA)
where:
Base-Base interactions energy: -570.499
where: short stacking energy: -234.347
Base-Backbone interact. energy: -1.102
local terms energy: -233.251356
where:
bonds (distance) C4'-P energy: -39.322
bonds (distance) P-C4' energy: -41.875
flat angles C4'-P-C4' energy: -55.634
flat angles P-C4'-P energy: -37.835
tors. eta vs tors. theta energy: -58.585
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: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -672.740270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.740270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.740270 (E_RNA)
where:
Base-Base interactions energy: -447.434
where: short stacking energy: -193.094
Base-Backbone interact. energy: -1.810
local terms energy: -223.496109
where:
bonds (distance) C4'-P energy: -40.397
bonds (distance) P-C4' energy: -55.553
flat angles C4'-P-C4' energy: -49.306
flat angles P-C4'-P energy: -28.812
tors. eta vs tors. theta energy: -49.427
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: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -651.002726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.002726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.002726 (E_RNA)
where:
Base-Base interactions energy: -452.460
where: short stacking energy: -194.137
Base-Backbone interact. energy: 1.374
local terms energy: -199.916598
where:
bonds (distance) C4'-P energy: -40.914
bonds (distance) P-C4' energy: -48.767
flat angles C4'-P-C4' energy: -43.081
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -42.352
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: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -658.882352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.882352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.882352 (E_RNA)
where:
Base-Base interactions energy: -449.451
where: short stacking energy: -199.017
Base-Backbone interact. energy: -0.066
local terms energy: -209.365778
where:
bonds (distance) C4'-P energy: -37.788
bonds (distance) P-C4' energy: -36.402
flat angles C4'-P-C4' energy: -54.727
flat angles P-C4'-P energy: -31.479
tors. eta vs tors. theta energy: -48.970
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: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -616.636065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.636065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.636065 (E_RNA)
where:
Base-Base interactions energy: -404.280
where: short stacking energy: -190.490
Base-Backbone interact. energy: 2.007
local terms energy: -214.362730
where:
bonds (distance) C4'-P energy: -45.174
bonds (distance) P-C4' energy: -46.393
flat angles C4'-P-C4' energy: -48.849
flat angles P-C4'-P energy: -30.969
tors. eta vs tors. theta energy: -42.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -414.012611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.012611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.012611 (E_RNA)
where:
Base-Base interactions energy: -246.777
where: short stacking energy: -130.582
Base-Backbone interact. energy: -0.745
local terms energy: -166.489772
where:
bonds (distance) C4'-P energy: -37.068
bonds (distance) P-C4' energy: -40.847
flat angles C4'-P-C4' energy: -36.496
flat angles P-C4'-P energy: -31.866
tors. eta vs tors. theta energy: -20.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -234.786410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.786410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.786410 (E_RNA)
where:
Base-Base interactions energy: -91.061
where: short stacking energy: -77.566
Base-Backbone interact. energy: 0.916
local terms energy: -144.640898
where:
bonds (distance) C4'-P energy: -43.513
bonds (distance) P-C4' energy: -47.320
flat angles C4'-P-C4' energy: -39.392
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: 5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -217.648388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.648388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.648388 (E_RNA)
where:
Base-Base interactions energy: -82.576
where: short stacking energy: -78.437
Base-Backbone interact. energy: 1.114
local terms energy: -136.186460
where:
bonds (distance) C4'-P energy: -28.699
bonds (distance) P-C4' energy: -41.967
flat angles C4'-P-C4' energy: -37.607
flat angles P-C4'-P energy: -21.653
tors. eta vs tors. theta energy: -6.260
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: 164
Temperature: 0.900000
Total energy: -853.803310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.803310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.803310 (E_RNA)
where:
Base-Base interactions energy: -605.710
where: short stacking energy: -236.393
Base-Backbone interact. energy: -0.522
local terms energy: -247.570768
where:
bonds (distance) C4'-P energy: -46.609
bonds (distance) P-C4' energy: -46.945
flat angles C4'-P-C4' energy: -53.918
flat angles P-C4'-P energy: -43.080
tors. eta vs tors. theta energy: -57.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -828.292931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.292931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.292931 (E_RNA)
where:
Base-Base interactions energy: -564.601
where: short stacking energy: -245.641
Base-Backbone interact. energy: -0.891
local terms energy: -262.800944
where:
bonds (distance) C4'-P energy: -46.188
bonds (distance) P-C4' energy: -45.080
flat angles C4'-P-C4' energy: -57.462
flat angles P-C4'-P energy: -40.877
tors. eta vs tors. theta energy: -73.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -787.106807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.106807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.106807 (E_RNA)
where:
Base-Base interactions energy: -559.552
where: short stacking energy: -233.842
Base-Backbone interact. energy: 2.068
local terms energy: -229.622705
where:
bonds (distance) C4'-P energy: -44.536
bonds (distance) P-C4' energy: -41.060
flat angles C4'-P-C4' energy: -51.721
flat angles P-C4'-P energy: -35.704
tors. eta vs tors. theta energy: -56.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -672.197690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.197690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.197690 (E_RNA)
where:
Base-Base interactions energy: -461.807
where: short stacking energy: -182.905
Base-Backbone interact. energy: 1.582
local terms energy: -211.971953
where:
bonds (distance) C4'-P energy: -45.926
bonds (distance) P-C4' energy: -44.025
flat angles C4'-P-C4' energy: -46.023
flat angles P-C4'-P energy: -29.787
tors. eta vs tors. theta energy: -46.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -676.930580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.930580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.930580 (E_RNA)
where:
Base-Base interactions energy: -450.805
where: short stacking energy: -205.832
Base-Backbone interact. energy: 0.041
local terms energy: -226.166218
where:
bonds (distance) C4'-P energy: -40.398
bonds (distance) P-C4' energy: -45.110
flat angles C4'-P-C4' energy: -54.414
flat angles P-C4'-P energy: -34.817
tors. eta vs tors. theta energy: -51.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -640.241203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.241203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.241203 (E_RNA)
where:
Base-Base interactions energy: -423.740
where: short stacking energy: -178.851
Base-Backbone interact. energy: 5.928
local terms energy: -222.429538
where:
bonds (distance) C4'-P energy: -45.364
bonds (distance) P-C4' energy: -47.542
flat angles C4'-P-C4' energy: -43.829
flat angles P-C4'-P energy: -35.828
tors. eta vs tors. theta energy: -49.868
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: 9
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -579.867510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.867510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.867510 (E_RNA)
where:
Base-Base interactions energy: -378.497
where: short stacking energy: -166.649
Base-Backbone interact. energy: -0.990
local terms energy: -200.380626
where:
bonds (distance) C4'-P energy: -43.804
bonds (distance) P-C4' energy: -50.106
flat angles C4'-P-C4' energy: -40.448
flat angles P-C4'-P energy: -25.582
tors. eta vs tors. theta energy: -40.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -423.372377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.372377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.372377 (E_RNA)
where:
Base-Base interactions energy: -255.710
where: short stacking energy: -119.020
Base-Backbone interact. energy: -2.317
local terms energy: -165.344767
where:
bonds (distance) C4'-P energy: -42.839
bonds (distance) P-C4' energy: -49.023
flat angles C4'-P-C4' energy: -33.040
flat angles P-C4'-P energy: -19.557
tors. eta vs tors. theta energy: -20.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -223.920686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.920686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.920686 (E_RNA)
where:
Base-Base interactions energy: -86.913
where: short stacking energy: -80.724
Base-Backbone interact. energy: 0.899
local terms energy: -137.906516
where:
bonds (distance) C4'-P energy: -43.230
bonds (distance) P-C4' energy: -39.611
flat angles C4'-P-C4' energy: -29.013
flat angles P-C4'-P energy: -22.664
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -211.750342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.750342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.750342 (E_RNA)
where:
Base-Base interactions energy: -95.569
where: short stacking energy: -79.572
Base-Backbone interact. energy: 2.913
local terms energy: -119.094597
where:
bonds (distance) C4'-P energy: -35.036
bonds (distance) P-C4' energy: -36.202
flat angles C4'-P-C4' energy: -25.500
flat angles P-C4'-P energy: -24.526
tors. eta vs tors. theta energy: 2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -826.169628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.169628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.169628 (E_RNA)
where:
Base-Base interactions energy: -572.814
where: short stacking energy: -243.240
Base-Backbone interact. energy: -1.263
local terms energy: -252.093102
where:
bonds (distance) C4'-P energy: -51.131
bonds (distance) P-C4' energy: -49.621
flat angles C4'-P-C4' energy: -55.942
flat angles P-C4'-P energy: -39.404
tors. eta vs tors. theta energy: -55.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -838.834293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.834293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.834293 (E_RNA)
where:
Base-Base interactions energy: -586.745
where: short stacking energy: -257.217
Base-Backbone interact. energy: -1.348
local terms energy: -250.741312
where:
bonds (distance) C4'-P energy: -52.577
bonds (distance) P-C4' energy: -36.876
flat angles C4'-P-C4' energy: -50.570
flat angles P-C4'-P energy: -39.995
tors. eta vs tors. theta energy: -70.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -781.473714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.473714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.473714 (E_RNA)
where:
Base-Base interactions energy: -555.917
where: short stacking energy: -222.589
Base-Backbone interact. energy: -0.361
local terms energy: -225.196321
where:
bonds (distance) C4'-P energy: -46.615
bonds (distance) P-C4' energy: -43.231
flat angles C4'-P-C4' energy: -45.953
flat angles P-C4'-P energy: -35.142
tors. eta vs tors. theta energy: -54.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -724.786541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.786541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.786541 (E_RNA)
where:
Base-Base interactions energy: -486.049
where: short stacking energy: -223.358
Base-Backbone interact. energy: -1.400
local terms energy: -237.337902
where:
bonds (distance) C4'-P energy: -47.904
bonds (distance) P-C4' energy: -47.723
flat angles C4'-P-C4' energy: -49.306
flat angles P-C4'-P energy: -37.250
tors. eta vs tors. theta energy: -55.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -656.948314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.948314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.948314 (E_RNA)
where:
Base-Base interactions energy: -440.152
where: short stacking energy: -187.341
Base-Backbone interact. energy: -0.727
local terms energy: -216.069037
where:
bonds (distance) C4'-P energy: -40.113
bonds (distance) P-C4' energy: -46.199
flat angles C4'-P-C4' energy: -49.994
flat angles P-C4'-P energy: -33.819
tors. eta vs tors. theta energy: -45.945
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: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -641.129746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.129746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.129746 (E_RNA)
where:
Base-Base interactions energy: -426.648
where: short stacking energy: -209.048
Base-Backbone interact. energy: -0.969
local terms energy: -213.512971
where:
bonds (distance) C4'-P energy: -42.761
bonds (distance) P-C4' energy: -44.522
flat angles C4'-P-C4' energy: -44.126
flat angles P-C4'-P energy: -34.025
tors. eta vs tors. theta energy: -48.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -610.561152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.561152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.561152 (E_RNA)
where:
Base-Base interactions energy: -409.444
where: short stacking energy: -189.203
Base-Backbone interact. energy: -0.921
local terms energy: -200.195528
where:
bonds (distance) C4'-P energy: -46.067
bonds (distance) P-C4' energy: -45.707
flat angles C4'-P-C4' energy: -36.736
flat angles P-C4'-P energy: -28.463
tors. eta vs tors. theta energy: -43.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -438.686335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.686335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.686335 (E_RNA)
where:
Base-Base interactions energy: -279.189
where: short stacking energy: -150.502
Base-Backbone interact. energy: -0.375
local terms energy: -159.121896
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -43.218
flat angles C4'-P-C4' energy: -43.721
flat angles P-C4'-P energy: -24.553
tors. eta vs tors. theta energy: -25.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -228.072709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.072709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.072709 (E_RNA)
where:
Base-Base interactions energy: -100.932
where: short stacking energy: -89.031
Base-Backbone interact. energy: -0.137
local terms energy: -127.003111
where:
bonds (distance) C4'-P energy: -30.476
bonds (distance) P-C4' energy: -35.198
flat angles C4'-P-C4' energy: -29.322
flat angles P-C4'-P energy: -29.487
tors. eta vs tors. theta energy: -2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -209.372352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.372352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.372352 (E_RNA)
where:
Base-Base interactions energy: -90.089
where: short stacking energy: -84.460
Base-Backbone interact. energy: -0.556
local terms energy: -118.727099
where:
bonds (distance) C4'-P energy: -28.579
bonds (distance) P-C4' energy: -40.609
flat angles C4'-P-C4' energy: -29.319
flat angles P-C4'-P energy: -18.910
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -840.603768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.603768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.603768 (E_RNA)
where:
Base-Base interactions energy: -566.544
where: short stacking energy: -257.373
Base-Backbone interact. energy: -0.894
local terms energy: -273.166130
where:
bonds (distance) C4'-P energy: -48.276
bonds (distance) P-C4' energy: -50.126
flat angles C4'-P-C4' energy: -57.934
flat angles P-C4'-P energy: -41.623
tors. eta vs tors. theta energy: -75.208
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: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -823.175128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.175128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.175128 (E_RNA)
where:
Base-Base interactions energy: -578.714
where: short stacking energy: -228.086
Base-Backbone interact. energy: 1.674
local terms energy: -246.135258
where:
bonds (distance) C4'-P energy: -49.159
bonds (distance) P-C4' energy: -44.837
flat angles C4'-P-C4' energy: -52.691
flat angles P-C4'-P energy: -38.725
tors. eta vs tors. theta energy: -60.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -770.644366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.644366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.644366 (E_RNA)
where:
Base-Base interactions energy: -545.799
where: short stacking energy: -218.292
Base-Backbone interact. energy: -0.651
local terms energy: -224.194988
where:
bonds (distance) C4'-P energy: -45.380
bonds (distance) P-C4' energy: -47.290
flat angles C4'-P-C4' energy: -47.804
flat angles P-C4'-P energy: -30.635
tors. eta vs tors. theta energy: -53.086
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: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -707.078391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.078391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.078391 (E_RNA)
where:
Base-Base interactions energy: -473.631
where: short stacking energy: -219.250
Base-Backbone interact. energy: -0.939
local terms energy: -232.508667
where:
bonds (distance) C4'-P energy: -41.855
bonds (distance) P-C4' energy: -43.438
flat angles C4'-P-C4' energy: -53.424
flat angles P-C4'-P energy: -38.594
tors. eta vs tors. theta energy: -55.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -657.286329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.286329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.286329 (E_RNA)
where:
Base-Base interactions energy: -428.074
where: short stacking energy: -196.085
Base-Backbone interact. energy: -1.378
local terms energy: -227.834304
where:
bonds (distance) C4'-P energy: -42.834
bonds (distance) P-C4' energy: -39.148
flat angles C4'-P-C4' energy: -58.315
flat angles P-C4'-P energy: -35.016
tors. eta vs tors. theta energy: -52.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -648.853710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.853710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.853710 (E_RNA)
where:
Base-Base interactions energy: -435.491
where: short stacking energy: -167.139
Base-Backbone interact. energy: -1.991
local terms energy: -211.372519
where:
bonds (distance) C4'-P energy: -41.874
bonds (distance) P-C4' energy: -39.361
flat angles C4'-P-C4' energy: -54.501
flat angles P-C4'-P energy: -26.901
tors. eta vs tors. theta energy: -48.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -611.810216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.810216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.810216 (E_RNA)
where:
Base-Base interactions energy: -397.688
where: short stacking energy: -173.729
Base-Backbone interact. energy: -2.256
local terms energy: -211.865744
where:
bonds (distance) C4'-P energy: -40.729
bonds (distance) P-C4' energy: -43.660
flat angles C4'-P-C4' energy: -51.268
flat angles P-C4'-P energy: -35.665
tors. eta vs tors. theta energy: -40.543
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: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -507.029210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.029210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.029210 (E_RNA)
where:
Base-Base interactions energy: -337.927
where: short stacking energy: -150.590
Base-Backbone interact. energy: -0.968
local terms energy: -168.134475
where:
bonds (distance) C4'-P energy: -39.060
bonds (distance) P-C4' energy: -51.175
flat angles C4'-P-C4' energy: -31.157
flat angles P-C4'-P energy: -21.347
tors. eta vs tors. theta energy: -25.395
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: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -232.147485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.147485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.147485 (E_RNA)
where:
Base-Base interactions energy: -98.133
where: short stacking energy: -94.867
Base-Backbone interact. energy: -0.837
local terms energy: -133.178162
where:
bonds (distance) C4'-P energy: -27.929
bonds (distance) P-C4' energy: -45.350
flat angles C4'-P-C4' energy: -31.318
flat angles P-C4'-P energy: -19.687
tors. eta vs tors. theta energy: -8.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -233.631663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.631663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.631663 (E_RNA)
where:
Base-Base interactions energy: -103.249
where: short stacking energy: -81.254
Base-Backbone interact. energy: 1.799
local terms energy: -132.181609
where:
bonds (distance) C4'-P energy: -34.878
bonds (distance) P-C4' energy: -35.136
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -24.161
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -842.181878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.181878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.181878 (E_RNA)
where:
Base-Base interactions energy: -585.550
where: short stacking energy: -272.218
Base-Backbone interact. energy: -0.408
local terms energy: -256.223506
where:
bonds (distance) C4'-P energy: -45.787
bonds (distance) P-C4' energy: -45.701
flat angles C4'-P-C4' energy: -54.759
flat angles P-C4'-P energy: -38.628
tors. eta vs tors. theta energy: -71.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -823.097503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.097503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.097503 (E_RNA)
where:
Base-Base interactions energy: -582.502
where: short stacking energy: -234.314
Base-Backbone interact. energy: -1.618
local terms energy: -238.977614
where:
bonds (distance) C4'-P energy: -40.865
bonds (distance) P-C4' energy: -54.125
flat angles C4'-P-C4' energy: -52.869
flat angles P-C4'-P energy: -35.130
tors. eta vs tors. theta energy: -55.989
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: 4
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -778.151510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.151510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.151510 (E_RNA)
where:
Base-Base interactions energy: -549.364
where: short stacking energy: -236.815
Base-Backbone interact. energy: -1.258
local terms energy: -227.528950
where:
bonds (distance) C4'-P energy: -39.778
bonds (distance) P-C4' energy: -37.948
flat angles C4'-P-C4' energy: -51.344
flat angles P-C4'-P energy: -35.091
tors. eta vs tors. theta energy: -63.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -688.237331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.237331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.237331 (E_RNA)
where:
Base-Base interactions energy: -463.198
where: short stacking energy: -210.345
Base-Backbone interact. energy: 0.679
local terms energy: -225.718302
where:
bonds (distance) C4'-P energy: -44.561
bonds (distance) P-C4' energy: -44.431
flat angles C4'-P-C4' energy: -52.056
flat angles P-C4'-P energy: -35.524
tors. eta vs tors. theta energy: -49.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -682.451772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.451772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.451772 (E_RNA)
where:
Base-Base interactions energy: -449.652
where: short stacking energy: -205.806
Base-Backbone interact. energy: -0.732
local terms energy: -232.067001
where:
bonds (distance) C4'-P energy: -38.495
bonds (distance) P-C4' energy: -46.896
flat angles C4'-P-C4' energy: -58.856
flat angles P-C4'-P energy: -30.409
tors. eta vs tors. theta energy: -57.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -632.987362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.987362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.987362 (E_RNA)
where:
Base-Base interactions energy: -411.392
where: short stacking energy: -187.498
Base-Backbone interact. energy: 3.599
local terms energy: -225.194200
where:
bonds (distance) C4'-P energy: -50.923
bonds (distance) P-C4' energy: -42.070
flat angles C4'-P-C4' energy: -55.530
flat angles P-C4'-P energy: -35.353
tors. eta vs tors. theta energy: -41.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -603.462417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.462417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.462417 (E_RNA)
where:
Base-Base interactions energy: -408.993
where: short stacking energy: -184.791
Base-Backbone interact. energy: -1.376
local terms energy: -193.093685
where:
bonds (distance) C4'-P energy: -33.926
bonds (distance) P-C4' energy: -36.823
flat angles C4'-P-C4' energy: -43.554
flat angles P-C4'-P energy: -33.788
tors. eta vs tors. theta energy: -45.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -506.811381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.811381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.811381 (E_RNA)
where:
Base-Base interactions energy: -344.370
where: short stacking energy: -163.231
Base-Backbone interact. energy: 0.918
local terms energy: -163.359172
where:
bonds (distance) C4'-P energy: -37.654
bonds (distance) P-C4' energy: -35.438
flat angles C4'-P-C4' energy: -38.469
flat angles P-C4'-P energy: -24.268
tors. eta vs tors. theta energy: -27.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -281.806218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.806218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.806218 (E_RNA)
where:
Base-Base interactions energy: -131.768
where: short stacking energy: -86.767
Base-Backbone interact. energy: -1.293
local terms energy: -148.745177
where:
bonds (distance) C4'-P energy: -36.396
bonds (distance) P-C4' energy: -45.425
flat angles C4'-P-C4' energy: -47.422
flat angles P-C4'-P energy: -19.230
tors. eta vs tors. theta energy: -0.272
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: 10, replica: 3
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -215.700393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.700393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.700393 (E_RNA)
where:
Base-Base interactions energy: -81.061
where: short stacking energy: -64.189
Base-Backbone interact. energy: -0.397
local terms energy: -134.241856
where:
bonds (distance) C4'-P energy: -39.646
bonds (distance) P-C4' energy: -44.648
flat angles C4'-P-C4' energy: -30.278
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: 2.834
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: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -838.086846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.086846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.086846 (E_RNA)
where:
Base-Base interactions energy: -573.002
where: short stacking energy: -256.430
Base-Backbone interact. energy: -2.206
local terms energy: -262.879615
where:
bonds (distance) C4'-P energy: -49.449
bonds (distance) P-C4' energy: -43.469
flat angles C4'-P-C4' energy: -51.055
flat angles P-C4'-P energy: -42.991
tors. eta vs tors. theta energy: -75.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -834.822515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.822515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.822515 (E_RNA)
where:
Base-Base interactions energy: -584.513
where: short stacking energy: -242.721
Base-Backbone interact. energy: -1.277
local terms energy: -249.032910
where:
bonds (distance) C4'-P energy: -48.331
bonds (distance) P-C4' energy: -45.793
flat angles C4'-P-C4' energy: -51.724
flat angles P-C4'-P energy: -36.882
tors. eta vs tors. theta energy: -66.302
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: 4
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -787.443208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.443208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.443208 (E_RNA)
where:
Base-Base interactions energy: -549.071
where: short stacking energy: -239.761
Base-Backbone interact. energy: -0.349
local terms energy: -238.023317
where:
bonds (distance) C4'-P energy: -41.503
bonds (distance) P-C4' energy: -45.306
flat angles C4'-P-C4' energy: -54.679
flat angles P-C4'-P energy: -30.263
tors. eta vs tors. theta energy: -66.272
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: 168
Temperature: 1.050000
Total energy: -694.182998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.182998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.182998 (E_RNA)
where:
Base-Base interactions energy: -473.213
where: short stacking energy: -209.570
Base-Backbone interact. energy: -0.161
local terms energy: -220.809002
where:
bonds (distance) C4'-P energy: -44.517
bonds (distance) P-C4' energy: -47.091
flat angles C4'-P-C4' energy: -39.231
flat angles P-C4'-P energy: -33.805
tors. eta vs tors. theta energy: -56.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -677.726389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.726389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.726389 (E_RNA)
where:
Base-Base interactions energy: -464.448
where: short stacking energy: -211.198
Base-Backbone interact. energy: -0.711
local terms energy: -212.567549
where:
bonds (distance) C4'-P energy: -43.993
bonds (distance) P-C4' energy: -38.676
flat angles C4'-P-C4' energy: -54.934
flat angles P-C4'-P energy: -21.022
tors. eta vs tors. theta energy: -53.942
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: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -656.653053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.653053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.653053 (E_RNA)
where:
Base-Base interactions energy: -455.227
where: short stacking energy: -185.444
Base-Backbone interact. energy: 0.884
local terms energy: -202.310215
where:
bonds (distance) C4'-P energy: -31.681
bonds (distance) P-C4' energy: -46.718
flat angles C4'-P-C4' energy: -45.104
flat angles P-C4'-P energy: -29.203
tors. eta vs tors. theta energy: -49.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -594.861819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.861819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.861819 (E_RNA)
where:
Base-Base interactions energy: -386.979
where: short stacking energy: -173.447
Base-Backbone interact. energy: 1.172
local terms energy: -209.055095
where:
bonds (distance) C4'-P energy: -46.045
bonds (distance) P-C4' energy: -48.799
flat angles C4'-P-C4' energy: -48.484
flat angles P-C4'-P energy: -26.546
tors. eta vs tors. theta energy: -39.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -517.681323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.681323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.681323 (E_RNA)
where:
Base-Base interactions energy: -326.394
where: short stacking energy: -153.316
Base-Backbone interact. energy: -1.998
local terms energy: -189.289218
where:
bonds (distance) C4'-P energy: -38.837
bonds (distance) P-C4' energy: -49.979
flat angles C4'-P-C4' energy: -51.081
flat angles P-C4'-P energy: -25.256
tors. eta vs tors. theta energy: -24.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -309.693900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.693900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.693900 (E_RNA)
where:
Base-Base interactions energy: -156.987
where: short stacking energy: -100.381
Base-Backbone interact. energy: 0.098
local terms energy: -152.804622
where:
bonds (distance) C4'-P energy: -34.005
bonds (distance) P-C4' energy: -50.778
flat angles C4'-P-C4' energy: -40.204
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -209.370009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.370009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.370009 (E_RNA)
where:
Base-Base interactions energy: -64.518
where: short stacking energy: -59.465
Base-Backbone interact. energy: 0.287
local terms energy: -145.139603
where:
bonds (distance) C4'-P energy: -39.130
bonds (distance) P-C4' energy: -50.997
flat angles C4'-P-C4' energy: -33.925
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -845.545220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.545220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.545220 (E_RNA)
where:
Base-Base interactions energy: -573.957
where: short stacking energy: -259.078
Base-Backbone interact. energy: -0.726
local terms energy: -270.861799
where:
bonds (distance) C4'-P energy: -42.756
bonds (distance) P-C4' energy: -51.470
flat angles C4'-P-C4' energy: -53.582
flat angles P-C4'-P energy: -42.208
tors. eta vs tors. theta energy: -80.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -827.371446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.371446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.371446 (E_RNA)
where:
Base-Base interactions energy: -583.238
where: short stacking energy: -245.541
Base-Backbone interact. energy: -1.973
local terms energy: -242.161065
where:
bonds (distance) C4'-P energy: -44.268
bonds (distance) P-C4' energy: -46.543
flat angles C4'-P-C4' energy: -53.335
flat angles P-C4'-P energy: -36.387
tors. eta vs tors. theta energy: -61.628
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: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -780.836721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.836721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.836721 (E_RNA)
where:
Base-Base interactions energy: -532.640
where: short stacking energy: -213.164
Base-Backbone interact. energy: 0.244
local terms energy: -248.440690
where:
bonds (distance) C4'-P energy: -46.623
bonds (distance) P-C4' energy: -50.396
flat angles C4'-P-C4' energy: -55.338
flat angles P-C4'-P energy: -35.537
tors. eta vs tors. theta energy: -60.546
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: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -714.722253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.722253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.722253 (E_RNA)
where:
Base-Base interactions energy: -488.854
where: short stacking energy: -210.111
Base-Backbone interact. energy: -0.898
local terms energy: -224.970253
where:
bonds (distance) C4'-P energy: -40.103
bonds (distance) P-C4' energy: -41.491
flat angles C4'-P-C4' energy: -48.674
flat angles P-C4'-P energy: -36.938
tors. eta vs tors. theta energy: -57.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -705.856254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.856254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.856254 (E_RNA)
where:
Base-Base interactions energy: -481.778
where: short stacking energy: -219.071
Base-Backbone interact. energy: 2.147
local terms energy: -226.225273
where:
bonds (distance) C4'-P energy: -41.326
bonds (distance) P-C4' energy: -46.602
flat angles C4'-P-C4' energy: -51.489
flat angles P-C4'-P energy: -25.730
tors. eta vs tors. theta energy: -61.079
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: 6, replica: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -656.056587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.056587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.056587 (E_RNA)
where:
Base-Base interactions energy: -446.648
where: short stacking energy: -187.460
Base-Backbone interact. energy: -0.840
local terms energy: -208.568264
where:
bonds (distance) C4'-P energy: -39.952
bonds (distance) P-C4' energy: -44.718
flat angles C4'-P-C4' energy: -41.179
flat angles P-C4'-P energy: -30.476
tors. eta vs tors. theta energy: -52.244
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: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -614.503204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.503204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.503204 (E_RNA)
where:
Base-Base interactions energy: -424.595
where: short stacking energy: -186.037
Base-Backbone interact. energy: 3.426
local terms energy: -193.334444
where:
bonds (distance) C4'-P energy: -32.410
bonds (distance) P-C4' energy: -42.999
flat angles C4'-P-C4' energy: -47.354
flat angles P-C4'-P energy: -22.838
tors. eta vs tors. theta energy: -47.733
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: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -501.518439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.518439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.518439 (E_RNA)
where:
Base-Base interactions energy: -327.046
where: short stacking energy: -153.732
Base-Backbone interact. energy: -0.931
local terms energy: -173.542235
where:
bonds (distance) C4'-P energy: -33.712
bonds (distance) P-C4' energy: -43.682
flat angles C4'-P-C4' energy: -36.687
flat angles P-C4'-P energy: -25.008
tors. eta vs tors. theta energy: -34.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -336.283803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.283803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.283803 (E_RNA)
where:
Base-Base interactions energy: -194.371
where: short stacking energy: -99.351
Base-Backbone interact. energy: -0.253
local terms energy: -141.659765
where:
bonds (distance) C4'-P energy: -35.053
bonds (distance) P-C4' energy: -45.987
flat angles C4'-P-C4' energy: -34.051
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -221.147288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.147288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.147288 (E_RNA)
where:
Base-Base interactions energy: -79.750
where: short stacking energy: -79.714
Base-Backbone interact. energy: -0.904
local terms energy: -140.493103
where:
bonds (distance) C4'-P energy: -35.556
bonds (distance) P-C4' energy: -47.941
flat angles C4'-P-C4' energy: -40.555
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -855.036401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.036401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.036401 (E_RNA)
where:
Base-Base interactions energy: -601.991
where: short stacking energy: -249.453
Base-Backbone interact. energy: -1.390
local terms energy: -251.655033
where:
bonds (distance) C4'-P energy: -48.085
bonds (distance) P-C4' energy: -55.363
flat angles C4'-P-C4' energy: -57.095
flat angles P-C4'-P energy: -29.600
tors. eta vs tors. theta energy: -61.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -841.369041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.369041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.369041 (E_RNA)
where:
Base-Base interactions energy: -581.749
where: short stacking energy: -254.677
Base-Backbone interact. energy: -0.812
local terms energy: -258.808036
where:
bonds (distance) C4'-P energy: -45.939
bonds (distance) P-C4' energy: -46.727
flat angles C4'-P-C4' energy: -54.675
flat angles P-C4'-P energy: -37.453
tors. eta vs tors. theta energy: -74.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -786.091123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.091123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.091123 (E_RNA)
where:
Base-Base interactions energy: -564.562
where: short stacking energy: -237.229
Base-Backbone interact. energy: -0.756
local terms energy: -220.773653
where:
bonds (distance) C4'-P energy: -38.223
bonds (distance) P-C4' energy: -42.045
flat angles C4'-P-C4' energy: -53.684
flat angles P-C4'-P energy: -23.415
tors. eta vs tors. theta energy: -63.406
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: 170
Temperature: 1.050000
Total energy: -700.979930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.979930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.979930 (E_RNA)
where:
Base-Base interactions energy: -470.819
where: short stacking energy: -222.231
Base-Backbone interact. energy: -0.691
local terms energy: -229.470284
where:
bonds (distance) C4'-P energy: -44.177
bonds (distance) P-C4' energy: -50.890
flat angles C4'-P-C4' energy: -48.881
flat angles P-C4'-P energy: -28.105
tors. eta vs tors. theta energy: -57.418
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: 170
Temperature: 1.100000
Total energy: -723.340317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.340317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.340317 (E_RNA)
where:
Base-Base interactions energy: -494.225
where: short stacking energy: -213.087
Base-Backbone interact. energy: -0.710
local terms energy: -228.404774
where:
bonds (distance) C4'-P energy: -45.049
bonds (distance) P-C4' energy: -45.805
flat angles C4'-P-C4' energy: -48.701
flat angles P-C4'-P energy: -28.783
tors. eta vs tors. theta energy: -60.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -656.911291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.911291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.911291 (E_RNA)
where:
Base-Base interactions energy: -443.686
where: short stacking energy: -203.945
Base-Backbone interact. energy: -0.882
local terms energy: -212.343562
where:
bonds (distance) C4'-P energy: -36.211
bonds (distance) P-C4' energy: -42.325
flat angles C4'-P-C4' energy: -47.045
flat angles P-C4'-P energy: -37.431
tors. eta vs tors. theta energy: -49.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -603.903658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.903658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.903658 (E_RNA)
where:
Base-Base interactions energy: -407.072
where: short stacking energy: -169.231
Base-Backbone interact. energy: -0.509
local terms energy: -196.322442
where:
bonds (distance) C4'-P energy: -47.850
bonds (distance) P-C4' energy: -32.399
flat angles C4'-P-C4' energy: -44.182
flat angles P-C4'-P energy: -30.577
tors. eta vs tors. theta energy: -41.315
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: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -501.862671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.862671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.862671 (E_RNA)
where:
Base-Base interactions energy: -314.325
where: short stacking energy: -139.888
Base-Backbone interact. energy: 0.153
local terms energy: -187.690402
where:
bonds (distance) C4'-P energy: -35.971
bonds (distance) P-C4' energy: -43.162
flat angles C4'-P-C4' energy: -42.095
flat angles P-C4'-P energy: -35.482
tors. eta vs tors. theta energy: -30.981
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: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -337.920236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.920236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.920236 (E_RNA)
where:
Base-Base interactions energy: -187.856
where: short stacking energy: -99.775
Base-Backbone interact. energy: 0.977
local terms energy: -151.041128
where:
bonds (distance) C4'-P energy: -36.230
bonds (distance) P-C4' energy: -50.024
flat angles C4'-P-C4' energy: -34.376
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -215.612799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.612799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.612799 (E_RNA)
where:
Base-Base interactions energy: -85.984
where: short stacking energy: -81.361
Base-Backbone interact. energy: -0.217
local terms energy: -129.411816
where:
bonds (distance) C4'-P energy: -38.240
bonds (distance) P-C4' energy: -39.842
flat angles C4'-P-C4' energy: -31.022
flat angles P-C4'-P energy: -20.006
tors. eta vs tors. theta energy: -0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -854.904307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.904307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.904307 (E_RNA)
where:
Base-Base interactions energy: -591.451
where: short stacking energy: -250.514
Base-Backbone interact. energy: -3.636
local terms energy: -259.817340
where:
bonds (distance) C4'-P energy: -49.960
bonds (distance) P-C4' energy: -50.871
flat angles C4'-P-C4' energy: -53.017
flat angles P-C4'-P energy: -40.269
tors. eta vs tors. theta energy: -65.700
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: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -816.953238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.953238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.953238 (E_RNA)
where:
Base-Base interactions energy: -570.370
where: short stacking energy: -259.881
Base-Backbone interact. energy: 0.794
local terms energy: -247.376679
where:
bonds (distance) C4'-P energy: -43.294
bonds (distance) P-C4' energy: -50.898
flat angles C4'-P-C4' energy: -54.619
flat angles P-C4'-P energy: -28.948
tors. eta vs tors. theta energy: -69.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -753.718523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.718523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.718523 (E_RNA)
where:
Base-Base interactions energy: -533.058
where: short stacking energy: -223.763
Base-Backbone interact. energy: 4.684
local terms energy: -225.344920
where:
bonds (distance) C4'-P energy: -43.988
bonds (distance) P-C4' energy: -49.545
flat angles C4'-P-C4' energy: -43.525
flat angles P-C4'-P energy: -35.856
tors. eta vs tors. theta energy: -52.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -721.713940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.713940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.713940 (E_RNA)
where:
Base-Base interactions energy: -482.686
where: short stacking energy: -223.564
Base-Backbone interact. energy: -1.951
local terms energy: -237.076718
where:
bonds (distance) C4'-P energy: -39.934
bonds (distance) P-C4' energy: -48.408
flat angles C4'-P-C4' energy: -53.736
flat angles P-C4'-P energy: -33.359
tors. eta vs tors. theta energy: -61.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -649.847294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.847294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.847294 (E_RNA)
where:
Base-Base interactions energy: -447.917
where: short stacking energy: -200.616
Base-Backbone interact. energy: -0.962
local terms energy: -200.968104
where:
bonds (distance) C4'-P energy: -31.026
bonds (distance) P-C4' energy: -41.758
flat angles C4'-P-C4' energy: -41.812
flat angles P-C4'-P energy: -39.573
tors. eta vs tors. theta energy: -46.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -637.328361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.328361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.328361 (E_RNA)
where:
Base-Base interactions energy: -434.366
where: short stacking energy: -187.975
Base-Backbone interact. energy: -0.499
local terms energy: -202.462704
where:
bonds (distance) C4'-P energy: -43.558
bonds (distance) P-C4' energy: -42.100
flat angles C4'-P-C4' energy: -38.822
flat angles P-C4'-P energy: -27.396
tors. eta vs tors. theta energy: -50.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -613.688348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.688348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.688348 (E_RNA)
where:
Base-Base interactions energy: -413.790
where: short stacking energy: -183.224
Base-Backbone interact. energy: -1.021
local terms energy: -198.877364
where:
bonds (distance) C4'-P energy: -39.203
bonds (distance) P-C4' energy: -44.645
flat angles C4'-P-C4' energy: -45.339
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: -48.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -510.092515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.092515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.092515 (E_RNA)
where:
Base-Base interactions energy: -322.585
where: short stacking energy: -151.246
Base-Backbone interact. energy: 1.036
local terms energy: -188.543912
where:
bonds (distance) C4'-P energy: -39.393
bonds (distance) P-C4' energy: -48.444
flat angles C4'-P-C4' energy: -43.538
flat angles P-C4'-P energy: -27.816
tors. eta vs tors. theta energy: -29.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -350.329364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.329364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.329364 (E_RNA)
where:
Base-Base interactions energy: -181.133
where: short stacking energy: -98.291
Base-Backbone interact. energy: -0.118
local terms energy: -169.078587
where:
bonds (distance) C4'-P energy: -35.296
bonds (distance) P-C4' energy: -47.933
flat angles C4'-P-C4' energy: -43.614
flat angles P-C4'-P energy: -26.463
tors. eta vs tors. theta energy: -15.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -219.439835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.439835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.439835 (E_RNA)
where:
Base-Base interactions energy: -85.819
where: short stacking energy: -83.443
Base-Backbone interact. energy: -0.395
local terms energy: -133.225700
where:
bonds (distance) C4'-P energy: -41.300
bonds (distance) P-C4' energy: -36.860
flat angles C4'-P-C4' energy: -25.785
flat angles P-C4'-P energy: -21.627
tors. eta vs tors. theta energy: -7.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -855.833650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.833650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.833650 (E_RNA)
where:
Base-Base interactions energy: -595.916
where: short stacking energy: -242.926
Base-Backbone interact. energy: -1.673
local terms energy: -258.244403
where:
bonds (distance) C4'-P energy: -43.970
bonds (distance) P-C4' energy: -51.527
flat angles C4'-P-C4' energy: -56.548
flat angles P-C4'-P energy: -42.196
tors. eta vs tors. theta energy: -64.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -842.400591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.400591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.400591 (E_RNA)
where:
Base-Base interactions energy: -569.555
where: short stacking energy: -254.676
Base-Backbone interact. energy: -0.743
local terms energy: -272.102232
where:
bonds (distance) C4'-P energy: -45.231
bonds (distance) P-C4' energy: -45.716
flat angles C4'-P-C4' energy: -56.755
flat angles P-C4'-P energy: -41.015
tors. eta vs tors. theta energy: -83.385
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: 172
Temperature: 1.000000
Total energy: -740.467883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.467883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.467883 (E_RNA)
where:
Base-Base interactions energy: -498.859
where: short stacking energy: -214.539
Base-Backbone interact. energy: -0.842
local terms energy: -240.766764
where:
bonds (distance) C4'-P energy: -47.978
bonds (distance) P-C4' energy: -44.404
flat angles C4'-P-C4' energy: -55.779
flat angles P-C4'-P energy: -35.186
tors. eta vs tors. theta energy: -57.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -758.985928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.985928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.985928 (E_RNA)
where:
Base-Base interactions energy: -542.882
where: short stacking energy: -226.897
Base-Backbone interact. energy: -0.222
local terms energy: -215.882403
where:
bonds (distance) C4'-P energy: -45.793
bonds (distance) P-C4' energy: -39.313
flat angles C4'-P-C4' energy: -53.236
flat angles P-C4'-P energy: -26.858
tors. eta vs tors. theta energy: -50.683
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: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -686.129034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.129034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.129034 (E_RNA)
where:
Base-Base interactions energy: -478.685
where: short stacking energy: -201.342
Base-Backbone interact. energy: -1.005
local terms energy: -206.439015
where:
bonds (distance) C4'-P energy: -35.854
bonds (distance) P-C4' energy: -40.093
flat angles C4'-P-C4' energy: -46.416
flat angles P-C4'-P energy: -33.519
tors. eta vs tors. theta energy: -50.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -655.984688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.984688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.984688 (E_RNA)
where:
Base-Base interactions energy: -451.089
where: short stacking energy: -203.796
Base-Backbone interact. energy: -2.683
local terms energy: -202.212824
where:
bonds (distance) C4'-P energy: -38.246
bonds (distance) P-C4' energy: -43.280
flat angles C4'-P-C4' energy: -44.329
flat angles P-C4'-P energy: -22.668
tors. eta vs tors. theta energy: -53.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -569.958526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.958526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.958526 (E_RNA)
where:
Base-Base interactions energy: -385.141
where: short stacking energy: -157.922
Base-Backbone interact. energy: 3.067
local terms energy: -187.884273
where:
bonds (distance) C4'-P energy: -39.704
bonds (distance) P-C4' energy: -43.113
flat angles C4'-P-C4' energy: -43.174
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -36.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -494.070178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.070178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.070178 (E_RNA)
where:
Base-Base interactions energy: -320.656
where: short stacking energy: -143.010
Base-Backbone interact. energy: -0.441
local terms energy: -172.972804
where:
bonds (distance) C4'-P energy: -36.810
bonds (distance) P-C4' energy: -42.864
flat angles C4'-P-C4' energy: -44.668
flat angles P-C4'-P energy: -23.651
tors. eta vs tors. theta energy: -24.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -340.922963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.922963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.922963 (E_RNA)
where:
Base-Base interactions energy: -163.267
where: short stacking energy: -103.563
Base-Backbone interact. energy: -0.382
local terms energy: -177.273145
where:
bonds (distance) C4'-P energy: -30.613
bonds (distance) P-C4' energy: -46.293
flat angles C4'-P-C4' energy: -51.065
flat angles P-C4'-P energy: -24.841
tors. eta vs tors. theta energy: -24.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -198.898656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.898656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.898656 (E_RNA)
where:
Base-Base interactions energy: -65.950
where: short stacking energy: -66.790
Base-Backbone interact. energy: -1.607
local terms energy: -131.341642
where:
bonds (distance) C4'-P energy: -47.068
bonds (distance) P-C4' energy: -37.176
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -31.966
tors. eta vs tors. theta energy: 5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -846.075417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.075417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.075417 (E_RNA)
where:
Base-Base interactions energy: -584.421
where: short stacking energy: -241.950
Base-Backbone interact. energy: 0.048
local terms energy: -261.702185
where:
bonds (distance) C4'-P energy: -43.086
bonds (distance) P-C4' energy: -51.857
flat angles C4'-P-C4' energy: -59.107
flat angles P-C4'-P energy: -45.815
tors. eta vs tors. theta energy: -61.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -842.297133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.297133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.297133 (E_RNA)
where:
Base-Base interactions energy: -580.990
where: short stacking energy: -271.792
Base-Backbone interact. energy: 0.779
local terms energy: -262.085810
where:
bonds (distance) C4'-P energy: -46.414
bonds (distance) P-C4' energy: -46.203
flat angles C4'-P-C4' energy: -57.349
flat angles P-C4'-P energy: -38.183
tors. eta vs tors. theta energy: -73.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -752.514515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.514515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.514515 (E_RNA)
where:
Base-Base interactions energy: -504.229
where: short stacking energy: -210.142
Base-Backbone interact. energy: -1.059
local terms energy: -247.226364
where:
bonds (distance) C4'-P energy: -47.922
bonds (distance) P-C4' energy: -48.877
flat angles C4'-P-C4' energy: -50.231
flat angles P-C4'-P energy: -34.891
tors. eta vs tors. theta energy: -65.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -734.789608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.789608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.789608 (E_RNA)
where:
Base-Base interactions energy: -528.906
where: short stacking energy: -214.925
Base-Backbone interact. energy: 0.451
local terms energy: -206.334740
where:
bonds (distance) C4'-P energy: -40.350
bonds (distance) P-C4' energy: -40.816
flat angles C4'-P-C4' energy: -45.138
flat angles P-C4'-P energy: -33.353
tors. eta vs tors. theta energy: -46.678
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: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -677.630298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.630298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.630298 (E_RNA)
where:
Base-Base interactions energy: -474.855
where: short stacking energy: -195.501
Base-Backbone interact. energy: 0.682
local terms energy: -203.456479
where:
bonds (distance) C4'-P energy: -43.715
bonds (distance) P-C4' energy: -46.945
flat angles C4'-P-C4' energy: -40.475
flat angles P-C4'-P energy: -24.784
tors. eta vs tors. theta energy: -47.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -715.702845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.702845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.702845 (E_RNA)
where:
Base-Base interactions energy: -491.375
where: short stacking energy: -227.035
Base-Backbone interact. energy: -1.202
local terms energy: -223.125964
where:
bonds (distance) C4'-P energy: -44.721
bonds (distance) P-C4' energy: -38.081
flat angles C4'-P-C4' energy: -51.659
flat angles P-C4'-P energy: -31.386
tors. eta vs tors. theta energy: -57.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -596.333643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.333643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.333643 (E_RNA)
where:
Base-Base interactions energy: -382.179
where: short stacking energy: -185.097
Base-Backbone interact. energy: -0.394
local terms energy: -213.761267
where:
bonds (distance) C4'-P energy: -40.328
bonds (distance) P-C4' energy: -41.112
flat angles C4'-P-C4' energy: -45.391
flat angles P-C4'-P energy: -34.398
tors. eta vs tors. theta energy: -52.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -518.988297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.988297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.988297 (E_RNA)
where:
Base-Base interactions energy: -329.166
where: short stacking energy: -166.439
Base-Backbone interact. energy: -1.316
local terms energy: -188.505638
where:
bonds (distance) C4'-P energy: -36.846
bonds (distance) P-C4' energy: -47.963
flat angles C4'-P-C4' energy: -40.119
flat angles P-C4'-P energy: -32.493
tors. eta vs tors. theta energy: -31.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -322.922445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.922445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.922445 (E_RNA)
where:
Base-Base interactions energy: -174.994
where: short stacking energy: -104.078
Base-Backbone interact. energy: -0.686
local terms energy: -147.241771
where:
bonds (distance) C4'-P energy: -38.704
bonds (distance) P-C4' energy: -38.408
flat angles C4'-P-C4' energy: -43.360
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -15.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -210.051923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.051923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.051923 (E_RNA)
where:
Base-Base interactions energy: -82.218
where: short stacking energy: -60.330
Base-Backbone interact. energy: 5.189
local terms energy: -133.023187
where:
bonds (distance) C4'-P energy: -46.686
bonds (distance) P-C4' energy: -39.060
flat angles C4'-P-C4' energy: -36.069
flat angles P-C4'-P energy: -21.422
tors. eta vs tors. theta energy: 10.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -845.934117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.934117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.934117 (E_RNA)
where:
Base-Base interactions energy: -580.091
where: short stacking energy: -263.080
Base-Backbone interact. energy: -0.366
local terms energy: -265.476956
where:
bonds (distance) C4'-P energy: -47.761
bonds (distance) P-C4' energy: -50.344
flat angles C4'-P-C4' energy: -54.624
flat angles P-C4'-P energy: -39.167
tors. eta vs tors. theta energy: -73.581
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: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -833.986411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.986411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.986411 (E_RNA)
where:
Base-Base interactions energy: -591.344
where: short stacking energy: -243.897
Base-Backbone interact. energy: -1.976
local terms energy: -240.666484
where:
bonds (distance) C4'-P energy: -49.328
bonds (distance) P-C4' energy: -46.287
flat angles C4'-P-C4' energy: -54.896
flat angles P-C4'-P energy: -31.348
tors. eta vs tors. theta energy: -58.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -748.199050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.199050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.199050 (E_RNA)
where:
Base-Base interactions energy: -511.152
where: short stacking energy: -234.974
Base-Backbone interact. energy: -0.663
local terms energy: -236.384201
where:
bonds (distance) C4'-P energy: -37.106
bonds (distance) P-C4' energy: -51.388
flat angles C4'-P-C4' energy: -45.308
flat angles P-C4'-P energy: -36.623
tors. eta vs tors. theta energy: -65.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -787.796047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.796047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.796047 (E_RNA)
where:
Base-Base interactions energy: -545.227
where: short stacking energy: -214.250
Base-Backbone interact. energy: -0.919
local terms energy: -241.650283
where:
bonds (distance) C4'-P energy: -50.759
bonds (distance) P-C4' energy: -53.986
flat angles C4'-P-C4' energy: -52.023
flat angles P-C4'-P energy: -35.034
tors. eta vs tors. theta energy: -49.849
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: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -695.246827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.246827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.246827 (E_RNA)
where:
Base-Base interactions energy: -483.009
where: short stacking energy: -205.607
Base-Backbone interact. energy: -1.578
local terms energy: -210.659387
where:
bonds (distance) C4'-P energy: -44.814
bonds (distance) P-C4' energy: -39.267
flat angles C4'-P-C4' energy: -45.289
flat angles P-C4'-P energy: -26.072
tors. eta vs tors. theta energy: -55.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -674.039971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.039971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.039971 (E_RNA)
where:
Base-Base interactions energy: -471.379
where: short stacking energy: -197.589
Base-Backbone interact. energy: -1.689
local terms energy: -200.972191
where:
bonds (distance) C4'-P energy: -35.521
bonds (distance) P-C4' energy: -43.213
flat angles C4'-P-C4' energy: -45.881
flat angles P-C4'-P energy: -24.403
tors. eta vs tors. theta energy: -51.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -561.290705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.290705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.290705 (E_RNA)
where:
Base-Base interactions energy: -361.629
where: short stacking energy: -177.281
Base-Backbone interact. energy: -0.137
local terms energy: -199.524898
where:
bonds (distance) C4'-P energy: -37.286
bonds (distance) P-C4' energy: -38.911
flat angles C4'-P-C4' energy: -46.300
flat angles P-C4'-P energy: -39.587
tors. eta vs tors. theta energy: -37.441
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: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -514.610443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.610443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.610443 (E_RNA)
where:
Base-Base interactions energy: -336.762
where: short stacking energy: -161.746
Base-Backbone interact. energy: -1.731
local terms energy: -176.117577
where:
bonds (distance) C4'-P energy: -35.461
bonds (distance) P-C4' energy: -40.679
flat angles C4'-P-C4' energy: -36.081
flat angles P-C4'-P energy: -33.766
tors. eta vs tors. theta energy: -30.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -225.450395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.450395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.450395 (E_RNA)
where:
Base-Base interactions energy: -84.851
where: short stacking energy: -69.415
Base-Backbone interact. energy: 0.505
local terms energy: -141.103774
where:
bonds (distance) C4'-P energy: -31.950
bonds (distance) P-C4' energy: -51.487
flat angles C4'-P-C4' energy: -33.805
flat angles P-C4'-P energy: -20.655
tors. eta vs tors. theta energy: -3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -338.039107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.039107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.039107 (E_RNA)
where:
Base-Base interactions energy: -196.091
where: short stacking energy: -109.959
Base-Backbone interact. energy: 10.222
local terms energy: -152.170282
where:
bonds (distance) C4'-P energy: -29.916
bonds (distance) P-C4' energy: -44.660
flat angles C4'-P-C4' energy: -40.074
flat angles P-C4'-P energy: -21.613
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -850.508574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.508574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.508574 (E_RNA)
where:
Base-Base interactions energy: -577.784
where: short stacking energy: -275.725
Base-Backbone interact. energy: -0.351
local terms energy: -272.373625
where:
bonds (distance) C4'-P energy: -50.320
bonds (distance) P-C4' energy: -49.460
flat angles C4'-P-C4' energy: -53.695
flat angles P-C4'-P energy: -40.018
tors. eta vs tors. theta energy: -78.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -826.749730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.749730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.749730 (E_RNA)
where:
Base-Base interactions energy: -589.837
where: short stacking energy: -223.760
Base-Backbone interact. energy: -0.030
local terms energy: -236.882893
where:
bonds (distance) C4'-P energy: -49.073
bonds (distance) P-C4' energy: -44.175
flat angles C4'-P-C4' energy: -56.592
flat angles P-C4'-P energy: -28.368
tors. eta vs tors. theta energy: -58.674
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: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -770.791289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.791289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.791289 (E_RNA)
where:
Base-Base interactions energy: -524.215
where: short stacking energy: -236.862
Base-Backbone interact. energy: -0.943
local terms energy: -245.633614
where:
bonds (distance) C4'-P energy: -48.100
bonds (distance) P-C4' energy: -43.969
flat angles C4'-P-C4' energy: -51.722
flat angles P-C4'-P energy: -39.607
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: 4, replica: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -735.223003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.223003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.223003 (E_RNA)
where:
Base-Base interactions energy: -520.788
where: short stacking energy: -215.189
Base-Backbone interact. energy: -1.160
local terms energy: -213.274908
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -47.884
flat angles C4'-P-C4' energy: -46.361
flat angles P-C4'-P energy: -37.586
tors. eta vs tors. theta energy: -38.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -663.306009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.306009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.306009 (E_RNA)
where:
Base-Base interactions energy: -440.856
where: short stacking energy: -177.271
Base-Backbone interact. energy: 0.749
local terms energy: -223.199624
where:
bonds (distance) C4'-P energy: -48.610
bonds (distance) P-C4' energy: -45.006
flat angles C4'-P-C4' energy: -46.067
flat angles P-C4'-P energy: -41.597
tors. eta vs tors. theta energy: -41.919
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: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -655.650219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.650219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.650219 (E_RNA)
where:
Base-Base interactions energy: -439.341
where: short stacking energy: -204.893
Base-Backbone interact. energy: -0.165
local terms energy: -216.143481
where:
bonds (distance) C4'-P energy: -48.280
bonds (distance) P-C4' energy: -42.449
flat angles C4'-P-C4' energy: -45.521
flat angles P-C4'-P energy: -32.159
tors. eta vs tors. theta energy: -47.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -582.840410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.840410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.840410 (E_RNA)
where:
Base-Base interactions energy: -395.724
where: short stacking energy: -176.570
Base-Backbone interact. energy: -0.819
local terms energy: -186.296749
where:
bonds (distance) C4'-P energy: -39.876
bonds (distance) P-C4' energy: -42.677
flat angles C4'-P-C4' energy: -42.704
flat angles P-C4'-P energy: -18.015
tors. eta vs tors. theta energy: -43.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -493.964457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.964457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.964457 (E_RNA)
where:
Base-Base interactions energy: -324.308
where: short stacking energy: -150.034
Base-Backbone interact. energy: -0.644
local terms energy: -169.011869
where:
bonds (distance) C4'-P energy: -42.478
bonds (distance) P-C4' energy: -45.969
flat angles C4'-P-C4' energy: -29.490
flat angles P-C4'-P energy: -27.056
tors. eta vs tors. theta energy: -24.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -268.597305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.597305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.597305 (E_RNA)
where:
Base-Base interactions energy: -117.763
where: short stacking energy: -85.488
Base-Backbone interact. energy: 1.770
local terms energy: -152.604223
where:
bonds (distance) C4'-P energy: -46.514
bonds (distance) P-C4' energy: -41.551
flat angles C4'-P-C4' energy: -40.064
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: -4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -324.504588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.504588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.504588 (E_RNA)
where:
Base-Base interactions energy: -169.099
where: short stacking energy: -91.640
Base-Backbone interact. energy: -0.422
local terms energy: -154.983668
where:
bonds (distance) C4'-P energy: -38.515
bonds (distance) P-C4' energy: -33.437
flat angles C4'-P-C4' energy: -41.471
flat angles P-C4'-P energy: -29.916
tors. eta vs tors. theta energy: -11.644
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: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -855.330782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.330782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.330782 (E_RNA)
where:
Base-Base interactions energy: -578.160
where: short stacking energy: -272.516
Base-Backbone interact. energy: -0.350
local terms energy: -276.821489
where:
bonds (distance) C4'-P energy: -46.083
bonds (distance) P-C4' energy: -42.658
flat angles C4'-P-C4' energy: -60.339
flat angles P-C4'-P energy: -42.429
tors. eta vs tors. theta energy: -85.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -809.084231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.084231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.084231 (E_RNA)
where:
Base-Base interactions energy: -571.796
where: short stacking energy: -242.043
Base-Backbone interact. energy: -0.538
local terms energy: -236.750173
where:
bonds (distance) C4'-P energy: -40.953
bonds (distance) P-C4' energy: -47.265
flat angles C4'-P-C4' energy: -52.654
flat angles P-C4'-P energy: -35.499
tors. eta vs tors. theta energy: -60.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -786.622848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.622848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.622848 (E_RNA)
where:
Base-Base interactions energy: -558.738
where: short stacking energy: -223.926
Base-Backbone interact. energy: -0.730
local terms energy: -227.154823
where:
bonds (distance) C4'-P energy: -44.457
bonds (distance) P-C4' energy: -45.869
flat angles C4'-P-C4' energy: -54.819
flat angles P-C4'-P energy: -31.895
tors. eta vs tors. theta energy: -50.116
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: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -747.679933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.679933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.679933 (E_RNA)
where:
Base-Base interactions energy: -510.562
where: short stacking energy: -230.887
Base-Backbone interact. energy: 0.070
local terms energy: -237.188076
where:
bonds (distance) C4'-P energy: -40.133
bonds (distance) P-C4' energy: -43.401
flat angles C4'-P-C4' energy: -53.364
flat angles P-C4'-P energy: -31.589
tors. eta vs tors. theta energy: -68.701
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: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -668.281337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.281337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.281337 (E_RNA)
where:
Base-Base interactions energy: -454.219
where: short stacking energy: -186.176
Base-Backbone interact. energy: -0.674
local terms energy: -213.388683
where:
bonds (distance) C4'-P energy: -50.425
bonds (distance) P-C4' energy: -40.604
flat angles C4'-P-C4' energy: -46.313
flat angles P-C4'-P energy: -32.794
tors. eta vs tors. theta energy: -43.252
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: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -659.426279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.426279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.426279 (E_RNA)
where:
Base-Base interactions energy: -451.160
where: short stacking energy: -189.929
Base-Backbone interact. energy: 2.331
local terms energy: -210.596712
where:
bonds (distance) C4'-P energy: -43.612
bonds (distance) P-C4' energy: -46.303
flat angles C4'-P-C4' energy: -42.144
flat angles P-C4'-P energy: -32.910
tors. eta vs tors. theta energy: -45.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -541.466580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.466580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.466580 (E_RNA)
where:
Base-Base interactions energy: -338.274
where: short stacking energy: -156.181
Base-Backbone interact. energy: -0.879
local terms energy: -202.313395
where:
bonds (distance) C4'-P energy: -45.033
bonds (distance) P-C4' energy: -52.349
flat angles C4'-P-C4' energy: -42.252
flat angles P-C4'-P energy: -30.706
tors. eta vs tors. theta energy: -31.973
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: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -497.946235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.946235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.946235 (E_RNA)
where:
Base-Base interactions energy: -316.631
where: short stacking energy: -157.525
Base-Backbone interact. energy: 4.455
local terms energy: -185.769914
where:
bonds (distance) C4'-P energy: -25.446
bonds (distance) P-C4' energy: -46.702
flat angles C4'-P-C4' energy: -47.649
flat angles P-C4'-P energy: -28.005
tors. eta vs tors. theta energy: -37.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -367.728620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.728620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.728620 (E_RNA)
where:
Base-Base interactions energy: -209.595
where: short stacking energy: -108.025
Base-Backbone interact. energy: -1.312
local terms energy: -156.821417
where:
bonds (distance) C4'-P energy: -26.347
bonds (distance) P-C4' energy: -39.458
flat angles C4'-P-C4' energy: -44.234
flat angles P-C4'-P energy: -28.965
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -213.390959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.390959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.390959 (E_RNA)
where:
Base-Base interactions energy: -52.659
where: short stacking energy: -52.859
Base-Backbone interact. energy: -0.606
local terms energy: -160.126147
where:
bonds (distance) C4'-P energy: -39.850
bonds (distance) P-C4' energy: -52.088
flat angles C4'-P-C4' energy: -42.591
flat angles P-C4'-P energy: -25.431
tors. eta vs tors. theta energy: -0.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -850.755117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.755117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.755117 (E_RNA)
where:
Base-Base interactions energy: -586.065
where: short stacking energy: -268.547
Base-Backbone interact. energy: -0.750
local terms energy: -263.940137
where:
bonds (distance) C4'-P energy: -49.743
bonds (distance) P-C4' energy: -47.524
flat angles C4'-P-C4' energy: -51.807
flat angles P-C4'-P energy: -39.549
tors. eta vs tors. theta energy: -75.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -810.131173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.131173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.131173 (E_RNA)
where:
Base-Base interactions energy: -574.303
where: short stacking energy: -228.806
Base-Backbone interact. energy: -1.871
local terms energy: -233.957722
where:
bonds (distance) C4'-P energy: -47.351
bonds (distance) P-C4' energy: -41.921
flat angles C4'-P-C4' energy: -52.135
flat angles P-C4'-P energy: -34.437
tors. eta vs tors. theta energy: -58.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -786.578878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.578878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.578878 (E_RNA)
where:
Base-Base interactions energy: -536.557
where: short stacking energy: -222.370
Base-Backbone interact. energy: -0.497
local terms energy: -249.524775
where:
bonds (distance) C4'-P energy: -44.308
bonds (distance) P-C4' energy: -53.313
flat angles C4'-P-C4' energy: -54.134
flat angles P-C4'-P energy: -39.512
tors. eta vs tors. theta energy: -58.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -693.315110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.315110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.315110 (E_RNA)
where:
Base-Base interactions energy: -479.861
where: short stacking energy: -209.077
Base-Backbone interact. energy: 2.536
local terms energy: -215.990168
where:
bonds (distance) C4'-P energy: -46.172
bonds (distance) P-C4' energy: -44.816
flat angles C4'-P-C4' energy: -44.374
flat angles P-C4'-P energy: -32.742
tors. eta vs tors. theta energy: -47.886
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: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -729.985543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.985543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.985543 (E_RNA)
where:
Base-Base interactions energy: -485.245
where: short stacking energy: -214.981
Base-Backbone interact. energy: -0.392
local terms energy: -244.348817
where:
bonds (distance) C4'-P energy: -49.865
bonds (distance) P-C4' energy: -42.225
flat angles C4'-P-C4' energy: -50.720
flat angles P-C4'-P energy: -38.966
tors. eta vs tors. theta energy: -62.574
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: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -666.705089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.705089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.705089 (E_RNA)
where:
Base-Base interactions energy: -456.458
where: short stacking energy: -196.745
Base-Backbone interact. energy: 0.533
local terms energy: -210.780740
where:
bonds (distance) C4'-P energy: -41.817
bonds (distance) P-C4' energy: -47.396
flat angles C4'-P-C4' energy: -53.449
flat angles P-C4'-P energy: -18.232
tors. eta vs tors. theta energy: -49.887
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: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -569.633343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.633343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.633343 (E_RNA)
where:
Base-Base interactions energy: -376.392
where: short stacking energy: -180.948
Base-Backbone interact. energy: -0.473
local terms energy: -192.768401
where:
bonds (distance) C4'-P energy: -43.225
bonds (distance) P-C4' energy: -26.758
flat angles C4'-P-C4' energy: -50.168
flat angles P-C4'-P energy: -30.242
tors. eta vs tors. theta energy: -42.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -381.166143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.166143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.166143 (E_RNA)
where:
Base-Base interactions energy: -204.076
where: short stacking energy: -117.800
Base-Backbone interact. energy: -0.605
local terms energy: -176.484875
where:
bonds (distance) C4'-P energy: -37.281
bonds (distance) P-C4' energy: -39.585
flat angles C4'-P-C4' energy: -45.957
flat angles P-C4'-P energy: -30.001
tors. eta vs tors. theta energy: -23.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -471.792319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.792319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.792319 (E_RNA)
where:
Base-Base interactions energy: -298.058
where: short stacking energy: -143.084
Base-Backbone interact. energy: -0.416
local terms energy: -173.318857
where:
bonds (distance) C4'-P energy: -42.845
bonds (distance) P-C4' energy: -41.172
flat angles C4'-P-C4' energy: -41.153
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: -30.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -271.000453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.000453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.000453 (E_RNA)
where:
Base-Base interactions energy: -124.115
where: short stacking energy: -77.472
Base-Backbone interact. energy: -1.792
local terms energy: -145.093620
where:
bonds (distance) C4'-P energy: -43.234
bonds (distance) P-C4' energy: -41.004
flat angles C4'-P-C4' energy: -41.510
flat angles P-C4'-P energy: -25.884
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: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -849.215424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.215424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.215424 (E_RNA)
where:
Base-Base interactions energy: -574.457
where: short stacking energy: -256.988
Base-Backbone interact. energy: -0.048
local terms energy: -274.710924
where:
bonds (distance) C4'-P energy: -51.343
bonds (distance) P-C4' energy: -57.868
flat angles C4'-P-C4' energy: -47.609
flat angles P-C4'-P energy: -42.511
tors. eta vs tors. theta energy: -75.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -813.469245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.469245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.469245 (E_RNA)
where:
Base-Base interactions energy: -579.827
where: short stacking energy: -232.329
Base-Backbone interact. energy: -2.196
local terms energy: -231.446490
where:
bonds (distance) C4'-P energy: -44.669
bonds (distance) P-C4' energy: -50.004
flat angles C4'-P-C4' energy: -53.767
flat angles P-C4'-P energy: -26.958
tors. eta vs tors. theta energy: -56.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -808.352332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.352332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.352332 (E_RNA)
where:
Base-Base interactions energy: -569.904
where: short stacking energy: -227.621
Base-Backbone interact. energy: 3.388
local terms energy: -241.836712
where:
bonds (distance) C4'-P energy: -43.848
bonds (distance) P-C4' energy: -45.843
flat angles C4'-P-C4' energy: -53.175
flat angles P-C4'-P energy: -41.106
tors. eta vs tors. theta energy: -57.865
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: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -695.952907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.952907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.952907 (E_RNA)
where:
Base-Base interactions energy: -483.585
where: short stacking energy: -196.029
Base-Backbone interact. energy: 2.744
local terms energy: -215.112496
where:
bonds (distance) C4'-P energy: -41.174
bonds (distance) P-C4' energy: -47.619
flat angles C4'-P-C4' energy: -47.667
flat angles P-C4'-P energy: -31.218
tors. eta vs tors. theta energy: -47.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -715.248949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.248949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.248949 (E_RNA)
where:
Base-Base interactions energy: -489.849
where: short stacking energy: -212.957
Base-Backbone interact. energy: 0.575
local terms energy: -225.975366
where:
bonds (distance) C4'-P energy: -47.727
bonds (distance) P-C4' energy: -38.707
flat angles C4'-P-C4' energy: -45.556
flat angles P-C4'-P energy: -32.942
tors. eta vs tors. theta energy: -61.043
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: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -634.698430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.698430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.698430 (E_RNA)
where:
Base-Base interactions energy: -426.216
where: short stacking energy: -185.689
Base-Backbone interact. energy: -0.907
local terms energy: -207.575046
where:
bonds (distance) C4'-P energy: -35.183
bonds (distance) P-C4' energy: -49.413
flat angles C4'-P-C4' energy: -48.830
flat angles P-C4'-P energy: -30.924
tors. eta vs tors. theta energy: -43.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -512.320878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.320878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.320878 (E_RNA)
where:
Base-Base interactions energy: -305.436
where: short stacking energy: -142.393
Base-Backbone interact. energy: -1.188
local terms energy: -205.697286
where:
bonds (distance) C4'-P energy: -50.680
bonds (distance) P-C4' energy: -49.473
flat angles C4'-P-C4' energy: -44.192
flat angles P-C4'-P energy: -31.567
tors. eta vs tors. theta energy: -29.785
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: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -377.572155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.572155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.572155 (E_RNA)
where:
Base-Base interactions energy: -194.070
where: short stacking energy: -111.707
Base-Backbone interact. energy: -0.688
local terms energy: -182.813562
where:
bonds (distance) C4'-P energy: -43.227
bonds (distance) P-C4' energy: -52.200
flat angles C4'-P-C4' energy: -46.171
flat angles P-C4'-P energy: -22.738
tors. eta vs tors. theta energy: -18.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -400.979463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.979463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.979463 (E_RNA)
where:
Base-Base interactions energy: -231.286
where: short stacking energy: -108.150
Base-Backbone interact. energy: -0.967
local terms energy: -168.727214
where:
bonds (distance) C4'-P energy: -45.024
bonds (distance) P-C4' energy: -35.957
flat angles C4'-P-C4' energy: -42.054
flat angles P-C4'-P energy: -31.860
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -289.945421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.945421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.945421 (E_RNA)
where:
Base-Base interactions energy: -163.585
where: short stacking energy: -82.775
Base-Backbone interact. energy: -2.092
local terms energy: -124.268283
where:
bonds (distance) C4'-P energy: -28.960
bonds (distance) P-C4' energy: -38.063
flat angles C4'-P-C4' energy: -34.453
flat angles P-C4'-P energy: -22.236
tors. eta vs tors. theta energy: -0.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -837.340048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.340048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.340048 (E_RNA)
where:
Base-Base interactions energy: -563.642
where: short stacking energy: -255.715
Base-Backbone interact. energy: -0.438
local terms energy: -273.260578
where:
bonds (distance) C4'-P energy: -50.552
bonds (distance) P-C4' energy: -49.630
flat angles C4'-P-C4' energy: -59.457
flat angles P-C4'-P energy: -40.898
tors. eta vs tors. theta energy: -72.723
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: 2, replica: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -805.104500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.104500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.104500 (E_RNA)
where:
Base-Base interactions energy: -565.997
where: short stacking energy: -224.241
Base-Backbone interact. energy: 0.287
local terms energy: -239.394307
where:
bonds (distance) C4'-P energy: -38.711
bonds (distance) P-C4' energy: -52.906
flat angles C4'-P-C4' energy: -51.452
flat angles P-C4'-P energy: -39.231
tors. eta vs tors. theta energy: -57.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -822.633719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.633719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.633719 (E_RNA)
where:
Base-Base interactions energy: -568.373
where: short stacking energy: -241.848
Base-Backbone interact. energy: -0.312
local terms energy: -253.948239
where:
bonds (distance) C4'-P energy: -47.231
bonds (distance) P-C4' energy: -49.244
flat angles C4'-P-C4' energy: -54.065
flat angles P-C4'-P energy: -39.244
tors. eta vs tors. theta energy: -64.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -722.810092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.810092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.810092 (E_RNA)
where:
Base-Base interactions energy: -483.455
where: short stacking energy: -211.399
Base-Backbone interact. energy: -2.576
local terms energy: -236.778955
where:
bonds (distance) C4'-P energy: -49.860
bonds (distance) P-C4' energy: -44.457
flat angles C4'-P-C4' energy: -53.454
flat angles P-C4'-P energy: -32.524
tors. eta vs tors. theta energy: -56.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -738.668104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.668104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.668104 (E_RNA)
where:
Base-Base interactions energy: -496.600
where: short stacking energy: -245.691
Base-Backbone interact. energy: -0.600
local terms energy: -241.467910
where:
bonds (distance) C4'-P energy: -36.771
bonds (distance) P-C4' energy: -48.112
flat angles C4'-P-C4' energy: -52.825
flat angles P-C4'-P energy: -31.213
tors. eta vs tors. theta energy: -72.547
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: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -628.522802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.522802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.522802 (E_RNA)
where:
Base-Base interactions energy: -404.337
where: short stacking energy: -177.274
Base-Backbone interact. energy: -1.048
local terms energy: -223.137368
where:
bonds (distance) C4'-P energy: -45.864
bonds (distance) P-C4' energy: -48.747
flat angles C4'-P-C4' energy: -54.241
flat angles P-C4'-P energy: -26.530
tors. eta vs tors. theta energy: -47.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -510.708404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.708404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.708404 (E_RNA)
where:
Base-Base interactions energy: -324.883
where: short stacking energy: -143.908
Base-Backbone interact. energy: 0.105
local terms energy: -185.929887
where:
bonds (distance) C4'-P energy: -40.357
bonds (distance) P-C4' energy: -40.710
flat angles C4'-P-C4' energy: -52.219
flat angles P-C4'-P energy: -25.096
tors. eta vs tors. theta energy: -27.548
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: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -449.289397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.289397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.289397 (E_RNA)
where:
Base-Base interactions energy: -268.864
where: short stacking energy: -149.018
Base-Backbone interact. energy: -0.284
local terms energy: -180.141022
where:
bonds (distance) C4'-P energy: -39.487
bonds (distance) P-C4' energy: -36.796
flat angles C4'-P-C4' energy: -46.171
flat angles P-C4'-P energy: -28.810
tors. eta vs tors. theta energy: -28.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -349.518273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.518273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.518273 (E_RNA)
where:
Base-Base interactions energy: -199.140
where: short stacking energy: -97.197
Base-Backbone interact. energy: -1.066
local terms energy: -149.312859
where:
bonds (distance) C4'-P energy: -42.247
bonds (distance) P-C4' energy: -36.587
flat angles C4'-P-C4' energy: -39.299
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -21.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -292.878195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.878195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.878195 (E_RNA)
where:
Base-Base interactions energy: -162.084
where: short stacking energy: -98.146
Base-Backbone interact. energy: 0.050
local terms energy: -130.843516
where:
bonds (distance) C4'-P energy: -37.429
bonds (distance) P-C4' energy: -33.258
flat angles C4'-P-C4' energy: -32.199
flat angles P-C4'-P energy: -20.529
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -844.273551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.273551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.273551 (E_RNA)
where:
Base-Base interactions energy: -590.037
where: short stacking energy: -258.425
Base-Backbone interact. energy: 1.646
local terms energy: -255.882309
where:
bonds (distance) C4'-P energy: -45.871
bonds (distance) P-C4' energy: -47.012
flat angles C4'-P-C4' energy: -54.984
flat angles P-C4'-P energy: -37.721
tors. eta vs tors. theta energy: -70.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -817.026198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.026198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.026198 (E_RNA)
where:
Base-Base interactions energy: -572.253
where: short stacking energy: -230.332
Base-Backbone interact. energy: -1.901
local terms energy: -242.872533
where:
bonds (distance) C4'-P energy: -52.135
bonds (distance) P-C4' energy: -41.919
flat angles C4'-P-C4' energy: -53.752
flat angles P-C4'-P energy: -30.989
tors. eta vs tors. theta energy: -64.078
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: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -795.671229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.671229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.671229 (E_RNA)
where:
Base-Base interactions energy: -563.441
where: short stacking energy: -233.879
Base-Backbone interact. energy: -0.662
local terms energy: -231.567656
where:
bonds (distance) C4'-P energy: -48.430
bonds (distance) P-C4' energy: -41.272
flat angles C4'-P-C4' energy: -49.815
flat angles P-C4'-P energy: -32.752
tors. eta vs tors. theta energy: -59.299
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: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -722.981288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.981288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.981288 (E_RNA)
where:
Base-Base interactions energy: -501.661
where: short stacking energy: -208.640
Base-Backbone interact. energy: -0.780
local terms energy: -220.540467
where:
bonds (distance) C4'-P energy: -41.783
bonds (distance) P-C4' energy: -44.706
flat angles C4'-P-C4' energy: -42.188
flat angles P-C4'-P energy: -31.063
tors. eta vs tors. theta energy: -60.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -704.594994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.594994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.594994 (E_RNA)
where:
Base-Base interactions energy: -479.446
where: short stacking energy: -221.898
Base-Backbone interact. energy: 0.262
local terms energy: -225.410590
where:
bonds (distance) C4'-P energy: -39.484
bonds (distance) P-C4' energy: -39.836
flat angles C4'-P-C4' energy: -53.468
flat angles P-C4'-P energy: -26.228
tors. eta vs tors. theta energy: -66.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -621.207967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.207967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.207967 (E_RNA)
where:
Base-Base interactions energy: -427.682
where: short stacking energy: -194.218
Base-Backbone interact. energy: -0.805
local terms energy: -192.721738
where:
bonds (distance) C4'-P energy: -39.199
bonds (distance) P-C4' energy: -41.322
flat angles C4'-P-C4' energy: -43.960
flat angles P-C4'-P energy: -24.164
tors. eta vs tors. theta energy: -44.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -518.951662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.951662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.951662 (E_RNA)
where:
Base-Base interactions energy: -330.773
where: short stacking energy: -147.071
Base-Backbone interact. energy: -1.042
local terms energy: -187.136630
where:
bonds (distance) C4'-P energy: -39.150
bonds (distance) P-C4' energy: -46.328
flat angles C4'-P-C4' energy: -43.989
flat angles P-C4'-P energy: -29.118
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: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -468.571290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.571290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.571290 (E_RNA)
where:
Base-Base interactions energy: -293.190
where: short stacking energy: -153.488
Base-Backbone interact. energy: -1.139
local terms energy: -174.241313
where:
bonds (distance) C4'-P energy: -50.711
bonds (distance) P-C4' energy: -35.464
flat angles C4'-P-C4' energy: -33.890
flat angles P-C4'-P energy: -25.467
tors. eta vs tors. theta energy: -28.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -302.568747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.568747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.568747 (E_RNA)
where:
Base-Base interactions energy: -161.049
where: short stacking energy: -92.219
Base-Backbone interact. energy: 1.519
local terms energy: -143.038664
where:
bonds (distance) C4'-P energy: -43.736
bonds (distance) P-C4' energy: -42.022
flat angles C4'-P-C4' energy: -37.468
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -7.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -364.742605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.742605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.742605 (E_RNA)
where:
Base-Base interactions energy: -212.996
where: short stacking energy: -123.837
Base-Backbone interact. energy: 1.236
local terms energy: -152.982176
where:
bonds (distance) C4'-P energy: -38.222
bonds (distance) P-C4' energy: -36.226
flat angles C4'-P-C4' energy: -35.896
flat angles P-C4'-P energy: -20.192
tors. eta vs tors. theta energy: -22.446
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: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -839.838806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.838806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.838806 (E_RNA)
where:
Base-Base interactions energy: -572.495
where: short stacking energy: -256.912
Base-Backbone interact. energy: -0.554
local terms energy: -266.789555
where:
bonds (distance) C4'-P energy: -54.854
bonds (distance) P-C4' energy: -47.516
flat angles C4'-P-C4' energy: -51.608
flat angles P-C4'-P energy: -38.605
tors. eta vs tors. theta energy: -74.207
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: 2, replica: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -819.932406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.932406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.932406 (E_RNA)
where:
Base-Base interactions energy: -567.554
where: short stacking energy: -216.008
Base-Backbone interact. energy: -1.111
local terms energy: -251.267178
where:
bonds (distance) C4'-P energy: -46.079
bonds (distance) P-C4' energy: -55.422
flat angles C4'-P-C4' energy: -53.915
flat angles P-C4'-P energy: -36.055
tors. eta vs tors. theta energy: -59.796
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: 181
Temperature: 1.000000
Total energy: -817.523102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.523102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.523102 (E_RNA)
where:
Base-Base interactions energy: -566.513
where: short stacking energy: -227.831
Base-Backbone interact. energy: 0.431
local terms energy: -251.441347
where:
bonds (distance) C4'-P energy: -44.388
bonds (distance) P-C4' energy: -47.796
flat angles C4'-P-C4' energy: -55.335
flat angles P-C4'-P energy: -43.396
tors. eta vs tors. theta energy: -60.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -760.761174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.761174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.761174 (E_RNA)
where:
Base-Base interactions energy: -509.480
where: short stacking energy: -242.696
Base-Backbone interact. energy: 2.058
local terms energy: -253.339281
where:
bonds (distance) C4'-P energy: -41.739
bonds (distance) P-C4' energy: -50.971
flat angles C4'-P-C4' energy: -54.091
flat angles P-C4'-P energy: -36.222
tors. eta vs tors. theta energy: -70.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -696.642521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.642521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.642521 (E_RNA)
where:
Base-Base interactions energy: -486.219
where: short stacking energy: -205.971
Base-Backbone interact. energy: -2.438
local terms energy: -207.985611
where:
bonds (distance) C4'-P energy: -40.615
bonds (distance) P-C4' energy: -36.896
flat angles C4'-P-C4' energy: -49.696
flat angles P-C4'-P energy: -28.871
tors. eta vs tors. theta energy: -51.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -624.939248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.939248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.939248 (E_RNA)
where:
Base-Base interactions energy: -430.814
where: short stacking energy: -190.823
Base-Backbone interact. energy: -0.775
local terms energy: -193.350647
where:
bonds (distance) C4'-P energy: -45.160
bonds (distance) P-C4' energy: -47.994
flat angles C4'-P-C4' energy: -40.133
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: -36.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -551.044751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.044751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.044751 (E_RNA)
where:
Base-Base interactions energy: -356.915
where: short stacking energy: -177.873
Base-Backbone interact. energy: 1.844
local terms energy: -195.973592
where:
bonds (distance) C4'-P energy: -38.217
bonds (distance) P-C4' energy: -41.020
flat angles C4'-P-C4' energy: -47.971
flat angles P-C4'-P energy: -28.836
tors. eta vs tors. theta energy: -39.930
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: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -504.444957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.444957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.444957 (E_RNA)
where:
Base-Base interactions energy: -332.639
where: short stacking energy: -166.842
Base-Backbone interact. energy: -0.628
local terms energy: -171.177887
where:
bonds (distance) C4'-P energy: -41.110
bonds (distance) P-C4' energy: -32.344
flat angles C4'-P-C4' energy: -38.984
flat angles P-C4'-P energy: -27.727
tors. eta vs tors. theta energy: -31.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -342.512543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.512543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.512543 (E_RNA)
where:
Base-Base interactions energy: -170.660
where: short stacking energy: -122.375
Base-Backbone interact. energy: -0.790
local terms energy: -171.062334
where:
bonds (distance) C4'-P energy: -50.088
bonds (distance) P-C4' energy: -46.237
flat angles C4'-P-C4' energy: -31.095
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -31.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -425.640710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.640710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.640710 (E_RNA)
where:
Base-Base interactions energy: -267.081
where: short stacking energy: -133.499
Base-Backbone interact. energy: -1.108
local terms energy: -157.451791
where:
bonds (distance) C4'-P energy: -40.368
bonds (distance) P-C4' energy: -42.460
flat angles C4'-P-C4' energy: -25.853
flat angles P-C4'-P energy: -26.166
tors. eta vs tors. theta energy: -22.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -842.872350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.872350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.872350 (E_RNA)
where:
Base-Base interactions energy: -601.761
where: short stacking energy: -227.116
Base-Backbone interact. energy: -1.495
local terms energy: -239.616405
where:
bonds (distance) C4'-P energy: -48.650
bonds (distance) P-C4' energy: -44.197
flat angles C4'-P-C4' energy: -53.967
flat angles P-C4'-P energy: -34.330
tors. eta vs tors. theta energy: -58.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -822.835761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.835761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.835761 (E_RNA)
where:
Base-Base interactions energy: -568.027
where: short stacking energy: -252.391
Base-Backbone interact. energy: -0.381
local terms energy: -254.427979
where:
bonds (distance) C4'-P energy: -47.054
bonds (distance) P-C4' energy: -48.627
flat angles C4'-P-C4' energy: -53.101
flat angles P-C4'-P energy: -36.164
tors. eta vs tors. theta energy: -69.481
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: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -765.852349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.852349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.852349 (E_RNA)
where:
Base-Base interactions energy: -509.696
where: short stacking energy: -242.670
Base-Backbone interact. energy: -0.597
local terms energy: -255.559596
where:
bonds (distance) C4'-P energy: -42.541
bonds (distance) P-C4' energy: -52.446
flat angles C4'-P-C4' energy: -50.108
flat angles P-C4'-P energy: -42.994
tors. eta vs tors. theta energy: -67.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -802.869814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.869814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.869814 (E_RNA)
where:
Base-Base interactions energy: -559.547
where: short stacking energy: -234.871
Base-Backbone interact. energy: -2.390
local terms energy: -240.933423
where:
bonds (distance) C4'-P energy: -49.093
bonds (distance) P-C4' energy: -49.048
flat angles C4'-P-C4' energy: -49.863
flat angles P-C4'-P energy: -28.638
tors. eta vs tors. theta energy: -64.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -689.435525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.435525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.435525 (E_RNA)
where:
Base-Base interactions energy: -470.539
where: short stacking energy: -212.063
Base-Backbone interact. energy: -1.246
local terms energy: -217.650866
where:
bonds (distance) C4'-P energy: -31.594
bonds (distance) P-C4' energy: -50.072
flat angles C4'-P-C4' energy: -43.543
flat angles P-C4'-P energy: -33.859
tors. eta vs tors. theta energy: -58.583
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: 2
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -638.140904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.140904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.140904 (E_RNA)
where:
Base-Base interactions energy: -429.942
where: short stacking energy: -184.195
Base-Backbone interact. energy: -1.262
local terms energy: -206.936671
where:
bonds (distance) C4'-P energy: -48.190
bonds (distance) P-C4' energy: -42.409
flat angles C4'-P-C4' energy: -46.046
flat angles P-C4'-P energy: -25.988
tors. eta vs tors. theta energy: -44.304
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: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -504.321439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.321439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.321439 (E_RNA)
where:
Base-Base interactions energy: -317.136
where: short stacking energy: -177.982
Base-Backbone interact. energy: -0.849
local terms energy: -186.336610
where:
bonds (distance) C4'-P energy: -34.999
bonds (distance) P-C4' energy: -50.524
flat angles C4'-P-C4' energy: -41.669
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -37.364
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: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -545.716597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.716597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.716597 (E_RNA)
where:
Base-Base interactions energy: -351.322
where: short stacking energy: -165.544
Base-Backbone interact. energy: -1.448
local terms energy: -192.946458
where:
bonds (distance) C4'-P energy: -37.673
bonds (distance) P-C4' energy: -39.279
flat angles C4'-P-C4' energy: -45.718
flat angles P-C4'-P energy: -33.055
tors. eta vs tors. theta energy: -37.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -458.603648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.603648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.603648 (E_RNA)
where:
Base-Base interactions energy: -286.860
where: short stacking energy: -139.967
Base-Backbone interact. energy: -0.989
local terms energy: -170.754284
where:
bonds (distance) C4'-P energy: -27.179
bonds (distance) P-C4' energy: -53.349
flat angles C4'-P-C4' energy: -37.687
flat angles P-C4'-P energy: -23.620
tors. eta vs tors. theta energy: -28.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -301.380554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.380554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.380554 (E_RNA)
where:
Base-Base interactions energy: -145.892
where: short stacking energy: -76.493
Base-Backbone interact. energy: -0.558
local terms energy: -154.930382
where:
bonds (distance) C4'-P energy: -42.977
bonds (distance) P-C4' energy: -44.869
flat angles C4'-P-C4' energy: -34.360
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -12.581
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: 4
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -836.750411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.750411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.750411 (E_RNA)
where:
Base-Base interactions energy: -587.951
where: short stacking energy: -227.034
Base-Backbone interact. energy: 0.522
local terms energy: -249.321554
where:
bonds (distance) C4'-P energy: -45.855
bonds (distance) P-C4' energy: -53.680
flat angles C4'-P-C4' energy: -54.122
flat angles P-C4'-P energy: -33.048
tors. eta vs tors. theta energy: -62.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -810.421294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.421294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.421294 (E_RNA)
where:
Base-Base interactions energy: -550.510
where: short stacking energy: -246.661
Base-Backbone interact. energy: -0.511
local terms energy: -259.400381
where:
bonds (distance) C4'-P energy: -48.328
bonds (distance) P-C4' energy: -49.778
flat angles C4'-P-C4' energy: -53.846
flat angles P-C4'-P energy: -37.063
tors. eta vs tors. theta energy: -70.385
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: 183
Temperature: 1.000000
Total energy: -772.242289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.242289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.242289 (E_RNA)
where:
Base-Base interactions energy: -523.364
where: short stacking energy: -235.823
Base-Backbone interact. energy: -2.164
local terms energy: -246.714149
where:
bonds (distance) C4'-P energy: -50.170
bonds (distance) P-C4' energy: -52.862
flat angles C4'-P-C4' energy: -43.759
flat angles P-C4'-P energy: -41.025
tors. eta vs tors. theta energy: -58.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -806.452176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.452176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.452176 (E_RNA)
where:
Base-Base interactions energy: -563.321
where: short stacking energy: -227.459
Base-Backbone interact. energy: -4.456
local terms energy: -238.675628
where:
bonds (distance) C4'-P energy: -44.023
bonds (distance) P-C4' energy: -47.167
flat angles C4'-P-C4' energy: -51.157
flat angles P-C4'-P energy: -38.884
tors. eta vs tors. theta energy: -57.445
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: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -693.646622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.646622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.646622 (E_RNA)
where:
Base-Base interactions energy: -475.213
where: short stacking energy: -208.380
Base-Backbone interact. energy: 2.057
local terms energy: -220.490920
where:
bonds (distance) C4'-P energy: -51.081
bonds (distance) P-C4' energy: -38.987
flat angles C4'-P-C4' energy: -49.529
flat angles P-C4'-P energy: -28.485
tors. eta vs tors. theta energy: -52.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -548.907783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.907783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.907783 (E_RNA)
where:
Base-Base interactions energy: -345.903
where: short stacking energy: -150.761
Base-Backbone interact. energy: -1.822
local terms energy: -201.183482
where:
bonds (distance) C4'-P energy: -38.966
bonds (distance) P-C4' energy: -50.932
flat angles C4'-P-C4' energy: -44.564
flat angles P-C4'-P energy: -31.035
tors. eta vs tors. theta energy: -35.686
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: 7, replica: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -614.173136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.173136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.173136 (E_RNA)
where:
Base-Base interactions energy: -420.111
where: short stacking energy: -175.019
Base-Backbone interact. energy: -2.286
local terms energy: -191.775379
where:
bonds (distance) C4'-P energy: -40.616
bonds (distance) P-C4' energy: -38.811
flat angles C4'-P-C4' energy: -40.212
flat angles P-C4'-P energy: -32.730
tors. eta vs tors. theta energy: -39.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -529.202323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.202323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.202323 (E_RNA)
where:
Base-Base interactions energy: -344.985
where: short stacking energy: -167.909
Base-Backbone interact. energy: 0.155
local terms energy: -184.372219
where:
bonds (distance) C4'-P energy: -39.794
bonds (distance) P-C4' energy: -27.508
flat angles C4'-P-C4' energy: -45.850
flat angles P-C4'-P energy: -31.057
tors. eta vs tors. theta energy: -40.163
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: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -415.033381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.033381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.033381 (E_RNA)
where:
Base-Base interactions energy: -249.202
where: short stacking energy: -111.424
Base-Backbone interact. energy: -1.415
local terms energy: -164.416190
where:
bonds (distance) C4'-P energy: -36.983
bonds (distance) P-C4' energy: -39.356
flat angles C4'-P-C4' energy: -41.320
flat angles P-C4'-P energy: -28.936
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -307.645272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.645272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.645272 (E_RNA)
where:
Base-Base interactions energy: -147.276
where: short stacking energy: -80.482
Base-Backbone interact. energy: -1.234
local terms energy: -159.135073
where:
bonds (distance) C4'-P energy: -41.231
bonds (distance) P-C4' energy: -49.887
flat angles C4'-P-C4' energy: -43.855
flat angles P-C4'-P energy: -28.073
tors. eta vs tors. theta energy: 3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -827.860401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.860401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.860401 (E_RNA)
where:
Base-Base interactions energy: -572.548
where: short stacking energy: -266.393
Base-Backbone interact. energy: -0.929
local terms energy: -254.383481
where:
bonds (distance) C4'-P energy: -46.579
bonds (distance) P-C4' energy: -41.583
flat angles C4'-P-C4' energy: -57.913
flat angles P-C4'-P energy: -34.826
tors. eta vs tors. theta energy: -73.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -823.067401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.067401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.067401 (E_RNA)
where:
Base-Base interactions energy: -579.176
where: short stacking energy: -240.310
Base-Backbone interact. energy: -1.480
local terms energy: -242.411071
where:
bonds (distance) C4'-P energy: -40.548
bonds (distance) P-C4' energy: -50.585
flat angles C4'-P-C4' energy: -52.589
flat angles P-C4'-P energy: -32.353
tors. eta vs tors. theta energy: -66.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -797.272157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.272157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.272157 (E_RNA)
where:
Base-Base interactions energy: -564.901
where: short stacking energy: -236.554
Base-Backbone interact. energy: 2.293
local terms energy: -234.664840
where:
bonds (distance) C4'-P energy: -41.211
bonds (distance) P-C4' energy: -49.065
flat angles C4'-P-C4' energy: -54.754
flat angles P-C4'-P energy: -34.782
tors. eta vs tors. theta energy: -54.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -738.455481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.455481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.455481 (E_RNA)
where:
Base-Base interactions energy: -490.982
where: short stacking energy: -244.770
Base-Backbone interact. energy: -0.920
local terms energy: -246.554212
where:
bonds (distance) C4'-P energy: -46.902
bonds (distance) P-C4' energy: -48.328
flat angles C4'-P-C4' energy: -47.656
flat angles P-C4'-P energy: -37.590
tors. eta vs tors. theta energy: -66.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -685.469880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.469880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.469880 (E_RNA)
where:
Base-Base interactions energy: -482.437
where: short stacking energy: -191.497
Base-Backbone interact. energy: -0.670
local terms energy: -202.362948
where:
bonds (distance) C4'-P energy: -43.007
bonds (distance) P-C4' energy: -42.772
flat angles C4'-P-C4' energy: -40.387
flat angles P-C4'-P energy: -34.793
tors. eta vs tors. theta energy: -41.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -542.924446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.924446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.924446 (E_RNA)
where:
Base-Base interactions energy: -348.478
where: short stacking energy: -177.374
Base-Backbone interact. energy: 0.505
local terms energy: -194.951520
where:
bonds (distance) C4'-P energy: -44.983
bonds (distance) P-C4' energy: -39.148
flat angles C4'-P-C4' energy: -39.500
flat angles P-C4'-P energy: -29.767
tors. eta vs tors. theta energy: -41.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -581.118573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.118573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.118573 (E_RNA)
where:
Base-Base interactions energy: -376.309
where: short stacking energy: -157.341
Base-Backbone interact. energy: -0.711
local terms energy: -204.099250
where:
bonds (distance) C4'-P energy: -40.512
bonds (distance) P-C4' energy: -50.353
flat angles C4'-P-C4' energy: -47.950
flat angles P-C4'-P energy: -35.372
tors. eta vs tors. theta energy: -29.912
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: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -514.579364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.579364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.579364 (E_RNA)
where:
Base-Base interactions energy: -332.685
where: short stacking energy: -157.955
Base-Backbone interact. energy: -0.835
local terms energy: -181.059190
where:
bonds (distance) C4'-P energy: -40.913
bonds (distance) P-C4' energy: -38.435
flat angles C4'-P-C4' energy: -43.473
flat angles P-C4'-P energy: -20.810
tors. eta vs tors. theta energy: -37.428
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: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -396.516597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.516597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.516597 (E_RNA)
where:
Base-Base interactions energy: -229.198
where: short stacking energy: -109.728
Base-Backbone interact. energy: 1.292
local terms energy: -168.610941
where:
bonds (distance) C4'-P energy: -39.041
bonds (distance) P-C4' energy: -46.235
flat angles C4'-P-C4' energy: -39.372
flat angles P-C4'-P energy: -21.839
tors. eta vs tors. theta energy: -22.124
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: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -309.000048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.000048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.000048 (E_RNA)
where:
Base-Base interactions energy: -155.659
where: short stacking energy: -92.089
Base-Backbone interact. energy: 1.942
local terms energy: -155.282622
where:
bonds (distance) C4'-P energy: -38.952
bonds (distance) P-C4' energy: -42.502
flat angles C4'-P-C4' energy: -40.123
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -6.829
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: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -828.806049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.806049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.806049 (E_RNA)
where:
Base-Base interactions energy: -561.499
where: short stacking energy: -260.948
Base-Backbone interact. energy: -0.025
local terms energy: -267.281908
where:
bonds (distance) C4'-P energy: -49.318
bonds (distance) P-C4' energy: -50.437
flat angles C4'-P-C4' energy: -55.631
flat angles P-C4'-P energy: -39.211
tors. eta vs tors. theta energy: -72.685
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: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -825.098556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.098556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.098556 (E_RNA)
where:
Base-Base interactions energy: -581.628
where: short stacking energy: -233.229
Base-Backbone interact. energy: -1.352
local terms energy: -242.118640
where:
bonds (distance) C4'-P energy: -43.812
bonds (distance) P-C4' energy: -52.902
flat angles C4'-P-C4' energy: -50.387
flat angles P-C4'-P energy: -33.305
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: 3, replica: 10
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -798.480689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.480689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.480689 (E_RNA)
where:
Base-Base interactions energy: -558.505
where: short stacking energy: -235.215
Base-Backbone interact. energy: -4.947
local terms energy: -235.029312
where:
bonds (distance) C4'-P energy: -39.165
bonds (distance) P-C4' energy: -46.332
flat angles C4'-P-C4' energy: -51.731
flat angles P-C4'-P energy: -38.920
tors. eta vs tors. theta energy: -58.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -756.476093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.476093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.476093 (E_RNA)
where:
Base-Base interactions energy: -509.874
where: short stacking energy: -241.388
Base-Backbone interact. energy: 0.265
local terms energy: -246.867595
where:
bonds (distance) C4'-P energy: -46.396
bonds (distance) P-C4' energy: -40.281
flat angles C4'-P-C4' energy: -55.078
flat angles P-C4'-P energy: -33.268
tors. eta vs tors. theta energy: -71.845
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: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -686.094987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.094987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.094987 (E_RNA)
where:
Base-Base interactions energy: -479.774
where: short stacking energy: -199.667
Base-Backbone interact. energy: 5.114
local terms energy: -211.434864
where:
bonds (distance) C4'-P energy: -48.977
bonds (distance) P-C4' energy: -50.802
flat angles C4'-P-C4' energy: -37.290
flat angles P-C4'-P energy: -26.772
tors. eta vs tors. theta energy: -47.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -552.335951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.335951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.335951 (E_RNA)
where:
Base-Base interactions energy: -351.918
where: short stacking energy: -157.264
Base-Backbone interact. energy: -3.788
local terms energy: -196.630597
where:
bonds (distance) C4'-P energy: -43.605
bonds (distance) P-C4' energy: -45.238
flat angles C4'-P-C4' energy: -44.918
flat angles P-C4'-P energy: -23.252
tors. eta vs tors. theta energy: -39.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -545.461123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.461123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.461123 (E_RNA)
where:
Base-Base interactions energy: -349.163
where: short stacking energy: -169.684
Base-Backbone interact. energy: 1.879
local terms energy: -198.177879
where:
bonds (distance) C4'-P energy: -41.169
bonds (distance) P-C4' energy: -40.969
flat angles C4'-P-C4' energy: -49.803
flat angles P-C4'-P energy: -22.091
tors. eta vs tors. theta energy: -44.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -515.802267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.802267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.802267 (E_RNA)
where:
Base-Base interactions energy: -347.883
where: short stacking energy: -153.469
Base-Backbone interact. energy: -0.029
local terms energy: -167.890739
where:
bonds (distance) C4'-P energy: -38.505
bonds (distance) P-C4' energy: -35.361
flat angles C4'-P-C4' energy: -40.935
flat angles P-C4'-P energy: -27.794
tors. eta vs tors. theta energy: -25.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -346.640912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.640912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.640912 (E_RNA)
where:
Base-Base interactions energy: -195.625
where: short stacking energy: -102.104
Base-Backbone interact. energy: 4.646
local terms energy: -155.661228
where:
bonds (distance) C4'-P energy: -42.791
bonds (distance) P-C4' energy: -50.327
flat angles C4'-P-C4' energy: -31.506
flat angles P-C4'-P energy: -26.419
tors. eta vs tors. theta energy: -4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -298.895130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.895130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.895130 (E_RNA)
where:
Base-Base interactions energy: -159.161
where: short stacking energy: -93.817
Base-Backbone interact. energy: 0.940
local terms energy: -140.674592
where:
bonds (distance) C4'-P energy: -42.773
bonds (distance) P-C4' energy: -41.041
flat angles C4'-P-C4' energy: -30.070
flat angles P-C4'-P energy: -22.293
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -845.467458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.467458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.467458 (E_RNA)
where:
Base-Base interactions energy: -570.043
where: short stacking energy: -265.002
Base-Backbone interact. energy: -1.139
local terms energy: -274.285157
where:
bonds (distance) C4'-P energy: -55.160
bonds (distance) P-C4' energy: -53.931
flat angles C4'-P-C4' energy: -55.396
flat angles P-C4'-P energy: -33.513
tors. eta vs tors. theta energy: -76.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -834.892231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.892231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.892231 (E_RNA)
where:
Base-Base interactions energy: -590.513
where: short stacking energy: -235.026
Base-Backbone interact. energy: -0.752
local terms energy: -243.627422
where:
bonds (distance) C4'-P energy: -49.757
bonds (distance) P-C4' energy: -46.600
flat angles C4'-P-C4' energy: -45.113
flat angles P-C4'-P energy: -39.823
tors. eta vs tors. theta energy: -62.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -781.649522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.649522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.649522 (E_RNA)
where:
Base-Base interactions energy: -524.018
where: short stacking energy: -240.360
Base-Backbone interact. energy: -0.285
local terms energy: -257.346581
where:
bonds (distance) C4'-P energy: -48.296
bonds (distance) P-C4' energy: -50.585
flat angles C4'-P-C4' energy: -50.152
flat angles P-C4'-P energy: -33.177
tors. eta vs tors. theta energy: -75.137
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: 10
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -769.101330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.101330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.101330 (E_RNA)
where:
Base-Base interactions energy: -548.901
where: short stacking energy: -213.032
Base-Backbone interact. energy: -2.318
local terms energy: -217.882397
where:
bonds (distance) C4'-P energy: -44.193
bonds (distance) P-C4' energy: -44.576
flat angles C4'-P-C4' energy: -52.657
flat angles P-C4'-P energy: -27.579
tors. eta vs tors. theta energy: -48.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -691.256821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.256821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.256821 (E_RNA)
where:
Base-Base interactions energy: -472.569
where: short stacking energy: -210.726
Base-Backbone interact. energy: 1.816
local terms energy: -220.503922
where:
bonds (distance) C4'-P energy: -45.672
bonds (distance) P-C4' energy: -40.520
flat angles C4'-P-C4' energy: -44.475
flat angles P-C4'-P energy: -33.277
tors. eta vs tors. theta energy: -56.560
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: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -609.749445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.749445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.749445 (E_RNA)
where:
Base-Base interactions energy: -404.816
where: short stacking energy: -195.514
Base-Backbone interact. energy: 1.850
local terms energy: -206.783210
where:
bonds (distance) C4'-P energy: -31.964
bonds (distance) P-C4' energy: -48.667
flat angles C4'-P-C4' energy: -46.677
flat angles P-C4'-P energy: -32.368
tors. eta vs tors. theta energy: -47.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -542.911868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.911868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.911868 (E_RNA)
where:
Base-Base interactions energy: -350.063
where: short stacking energy: -167.675
Base-Backbone interact. energy: 5.377
local terms energy: -198.226346
where:
bonds (distance) C4'-P energy: -37.531
bonds (distance) P-C4' energy: -39.045
flat angles C4'-P-C4' energy: -43.131
flat angles P-C4'-P energy: -36.062
tors. eta vs tors. theta energy: -42.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -471.706729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.706729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.706729 (E_RNA)
where:
Base-Base interactions energy: -302.992
where: short stacking energy: -140.861
Base-Backbone interact. energy: 1.441
local terms energy: -170.154949
where:
bonds (distance) C4'-P energy: -31.742
bonds (distance) P-C4' energy: -45.101
flat angles C4'-P-C4' energy: -39.283
flat angles P-C4'-P energy: -25.727
tors. eta vs tors. theta energy: -28.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -379.559017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.559017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.559017 (E_RNA)
where:
Base-Base interactions energy: -233.989
where: short stacking energy: -110.038
Base-Backbone interact. energy: -0.779
local terms energy: -144.791353
where:
bonds (distance) C4'-P energy: -44.441
bonds (distance) P-C4' energy: -41.102
flat angles C4'-P-C4' energy: -30.585
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -329.831685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.831685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.831685 (E_RNA)
where:
Base-Base interactions energy: -176.276
where: short stacking energy: -101.434
Base-Backbone interact. energy: -2.222
local terms energy: -151.334217
where:
bonds (distance) C4'-P energy: -35.861
bonds (distance) P-C4' energy: -39.523
flat angles C4'-P-C4' energy: -34.653
flat angles P-C4'-P energy: -28.823
tors. eta vs tors. theta energy: -12.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -831.696726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.696726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.696726 (E_RNA)
where:
Base-Base interactions energy: -564.950
where: short stacking energy: -241.874
Base-Backbone interact. energy: -1.540
local terms energy: -265.206554
where:
bonds (distance) C4'-P energy: -44.686
bonds (distance) P-C4' energy: -52.566
flat angles C4'-P-C4' energy: -56.369
flat angles P-C4'-P energy: -43.377
tors. eta vs tors. theta energy: -68.209
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: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -837.198247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.198247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.198247 (E_RNA)
where:
Base-Base interactions energy: -588.058
where: short stacking energy: -243.563
Base-Backbone interact. energy: -2.716
local terms energy: -246.423819
where:
bonds (distance) C4'-P energy: -45.878
bonds (distance) P-C4' energy: -46.018
flat angles C4'-P-C4' energy: -49.156
flat angles P-C4'-P energy: -38.876
tors. eta vs tors. theta energy: -66.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -748.621093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.621093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.621093 (E_RNA)
where:
Base-Base interactions energy: -493.349
where: short stacking energy: -231.025
Base-Backbone interact. energy: -0.427
local terms energy: -254.844747
where:
bonds (distance) C4'-P energy: -41.427
bonds (distance) P-C4' energy: -48.364
flat angles C4'-P-C4' energy: -55.313
flat angles P-C4'-P energy: -43.157
tors. eta vs tors. theta energy: -66.584
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: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -806.554834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.554834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.554834 (E_RNA)
where:
Base-Base interactions energy: -592.614
where: short stacking energy: -239.926
Base-Backbone interact. energy: 2.567
local terms energy: -216.507474
where:
bonds (distance) C4'-P energy: -33.124
bonds (distance) P-C4' energy: -48.028
flat angles C4'-P-C4' energy: -52.157
flat angles P-C4'-P energy: -28.899
tors. eta vs tors. theta energy: -54.299
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: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -673.259808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.259808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.259808 (E_RNA)
where:
Base-Base interactions energy: -457.757
where: short stacking energy: -177.600
Base-Backbone interact. energy: -1.680
local terms energy: -213.822320
where:
bonds (distance) C4'-P energy: -41.327
bonds (distance) P-C4' energy: -45.255
flat angles C4'-P-C4' energy: -46.629
flat angles P-C4'-P energy: -31.363
tors. eta vs tors. theta energy: -49.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -527.091153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.091153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.091153 (E_RNA)
where:
Base-Base interactions energy: -323.660
where: short stacking energy: -158.747
Base-Backbone interact. energy: -0.349
local terms energy: -203.082084
where:
bonds (distance) C4'-P energy: -49.367
bonds (distance) P-C4' energy: -44.960
flat angles C4'-P-C4' energy: -50.591
flat angles P-C4'-P energy: -27.088
tors. eta vs tors. theta energy: -31.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -582.507644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.507644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.507644 (E_RNA)
where:
Base-Base interactions energy: -384.606
where: short stacking energy: -184.871
Base-Backbone interact. energy: -0.575
local terms energy: -197.326475
where:
bonds (distance) C4'-P energy: -29.244
bonds (distance) P-C4' energy: -43.695
flat angles C4'-P-C4' energy: -48.084
flat angles P-C4'-P energy: -27.921
tors. eta vs tors. theta energy: -48.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -423.149559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.149559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.149559 (E_RNA)
where:
Base-Base interactions energy: -266.628
where: short stacking energy: -134.300
Base-Backbone interact. energy: -1.944
local terms energy: -154.578296
where:
bonds (distance) C4'-P energy: -36.174
bonds (distance) P-C4' energy: -42.202
flat angles C4'-P-C4' energy: -31.888
flat angles P-C4'-P energy: -21.629
tors. eta vs tors. theta energy: -22.684
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: 187
Temperature: 1.300000
Total energy: -460.113208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.113208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.113208 (E_RNA)
where:
Base-Base interactions energy: -297.431
where: short stacking energy: -131.016
Base-Backbone interact. energy: 1.562
local terms energy: -164.243448
where:
bonds (distance) C4'-P energy: -47.826
bonds (distance) P-C4' energy: -32.548
flat angles C4'-P-C4' energy: -40.083
flat angles P-C4'-P energy: -22.687
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -327.493541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.493541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.493541 (E_RNA)
where:
Base-Base interactions energy: -186.055
where: short stacking energy: -89.485
Base-Backbone interact. energy: -0.686
local terms energy: -140.752336
where:
bonds (distance) C4'-P energy: -42.535
bonds (distance) P-C4' energy: -27.664
flat angles C4'-P-C4' energy: -38.118
flat angles P-C4'-P energy: -32.920
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: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -837.989194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.989194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.989194 (E_RNA)
where:
Base-Base interactions energy: -592.226
where: short stacking energy: -225.902
Base-Backbone interact. energy: -0.323
local terms energy: -245.440539
where:
bonds (distance) C4'-P energy: -53.471
bonds (distance) P-C4' energy: -49.418
flat angles C4'-P-C4' energy: -50.514
flat angles P-C4'-P energy: -36.269
tors. eta vs tors. theta energy: -55.769
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: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -814.241723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.241723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.241723 (E_RNA)
where:
Base-Base interactions energy: -568.094
where: short stacking energy: -256.882
Base-Backbone interact. energy: -0.561
local terms energy: -245.586124
where:
bonds (distance) C4'-P energy: -43.778
bonds (distance) P-C4' energy: -48.509
flat angles C4'-P-C4' energy: -51.318
flat angles P-C4'-P energy: -28.880
tors. eta vs tors. theta energy: -73.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -826.066544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.066544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.066544 (E_RNA)
where:
Base-Base interactions energy: -581.689
where: short stacking energy: -246.334
Base-Backbone interact. energy: -2.972
local terms energy: -241.405187
where:
bonds (distance) C4'-P energy: -44.478
bonds (distance) P-C4' energy: -48.503
flat angles C4'-P-C4' energy: -53.008
flat angles P-C4'-P energy: -38.314
tors. eta vs tors. theta energy: -57.101
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: 188
Temperature: 1.050000
Total energy: -731.708657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.708657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.708657 (E_RNA)
where:
Base-Base interactions energy: -494.586
where: short stacking energy: -240.031
Base-Backbone interact. energy: -0.077
local terms energy: -237.046360
where:
bonds (distance) C4'-P energy: -41.434
bonds (distance) P-C4' energy: -42.343
flat angles C4'-P-C4' energy: -57.966
flat angles P-C4'-P energy: -26.024
tors. eta vs tors. theta energy: -69.280
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: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -675.896899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.896899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.896899 (E_RNA)
where:
Base-Base interactions energy: -460.181
where: short stacking energy: -211.690
Base-Backbone interact. energy: -2.057
local terms energy: -213.658369
where:
bonds (distance) C4'-P energy: -38.087
bonds (distance) P-C4' energy: -47.011
flat angles C4'-P-C4' energy: -51.527
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: -54.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -556.899577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.899577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.899577 (E_RNA)
where:
Base-Base interactions energy: -351.038
where: short stacking energy: -171.045
Base-Backbone interact. energy: -0.148
local terms energy: -205.713443
where:
bonds (distance) C4'-P energy: -39.841
bonds (distance) P-C4' energy: -42.566
flat angles C4'-P-C4' energy: -42.727
flat angles P-C4'-P energy: -41.482
tors. eta vs tors. theta energy: -39.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -599.069556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.069556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.069556 (E_RNA)
where:
Base-Base interactions energy: -399.289
where: short stacking energy: -192.101
Base-Backbone interact. energy: -0.750
local terms energy: -199.031281
where:
bonds (distance) C4'-P energy: -41.795
bonds (distance) P-C4' energy: -40.171
flat angles C4'-P-C4' energy: -55.882
flat angles P-C4'-P energy: -22.940
tors. eta vs tors. theta energy: -38.244
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: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -425.754425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.754425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.754425 (E_RNA)
where:
Base-Base interactions energy: -243.029
where: short stacking energy: -133.194
Base-Backbone interact. energy: -1.914
local terms energy: -180.811454
where:
bonds (distance) C4'-P energy: -43.679
bonds (distance) P-C4' energy: -40.328
flat angles C4'-P-C4' energy: -39.125
flat angles P-C4'-P energy: -35.323
tors. eta vs tors. theta energy: -22.357
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: 188
Temperature: 1.300000
Total energy: -468.047297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.047297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.047297 (E_RNA)
where:
Base-Base interactions energy: -301.786
where: short stacking energy: -126.021
Base-Backbone interact. energy: -1.048
local terms energy: -165.213302
where:
bonds (distance) C4'-P energy: -41.060
bonds (distance) P-C4' energy: -41.778
flat angles C4'-P-C4' energy: -35.970
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -22.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -320.492007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.492007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.492007 (E_RNA)
where:
Base-Base interactions energy: -162.998
where: short stacking energy: -87.626
Base-Backbone interact. energy: 1.911
local terms energy: -159.404685
where:
bonds (distance) C4'-P energy: -36.077
bonds (distance) P-C4' energy: -45.683
flat angles C4'-P-C4' energy: -41.727
flat angles P-C4'-P energy: -25.712
tors. eta vs tors. theta energy: -10.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -854.334166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.334166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.334166 (E_RNA)
where:
Base-Base interactions energy: -596.443
where: short stacking energy: -238.678
Base-Backbone interact. energy: -0.872
local terms energy: -257.019134
where:
bonds (distance) C4'-P energy: -56.770
bonds (distance) P-C4' energy: -46.737
flat angles C4'-P-C4' energy: -51.163
flat angles P-C4'-P energy: -40.328
tors. eta vs tors. theta energy: -62.021
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: 10
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -820.122286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.122286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.122286 (E_RNA)
where:
Base-Base interactions energy: -570.553
where: short stacking energy: -245.752
Base-Backbone interact. energy: -1.494
local terms energy: -248.075258
where:
bonds (distance) C4'-P energy: -48.097
bonds (distance) P-C4' energy: -52.051
flat angles C4'-P-C4' energy: -51.252
flat angles P-C4'-P energy: -32.300
tors. eta vs tors. theta energy: -64.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -816.068861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.068861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.068861 (E_RNA)
where:
Base-Base interactions energy: -560.659
where: short stacking energy: -236.418
Base-Backbone interact. energy: -0.356
local terms energy: -255.053351
where:
bonds (distance) C4'-P energy: -46.812
bonds (distance) P-C4' energy: -47.134
flat angles C4'-P-C4' energy: -52.777
flat angles P-C4'-P energy: -38.191
tors. eta vs tors. theta energy: -70.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -746.691261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.691261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.691261 (E_RNA)
where:
Base-Base interactions energy: -494.831
where: short stacking energy: -236.161
Base-Backbone interact. energy: -0.624
local terms energy: -251.236339
where:
bonds (distance) C4'-P energy: -45.304
bonds (distance) P-C4' energy: -49.649
flat angles C4'-P-C4' energy: -54.306
flat angles P-C4'-P energy: -30.370
tors. eta vs tors. theta energy: -71.606
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: 189
Temperature: 1.100000
Total energy: -678.274286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.274286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.274286 (E_RNA)
where:
Base-Base interactions energy: -449.679
where: short stacking energy: -186.143
Base-Backbone interact. energy: -1.434
local terms energy: -227.162053
where:
bonds (distance) C4'-P energy: -41.935
bonds (distance) P-C4' energy: -53.895
flat angles C4'-P-C4' energy: -47.486
flat angles P-C4'-P energy: -38.440
tors. eta vs tors. theta energy: -45.406
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: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -619.278457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.278457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.278457 (E_RNA)
where:
Base-Base interactions energy: -401.867
where: short stacking energy: -186.090
Base-Backbone interact. energy: -0.706
local terms energy: -216.705277
where:
bonds (distance) C4'-P energy: -40.956
bonds (distance) P-C4' energy: -41.730
flat angles C4'-P-C4' energy: -46.165
flat angles P-C4'-P energy: -31.210
tors. eta vs tors. theta energy: -56.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -528.563110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.563110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.563110 (E_RNA)
where:
Base-Base interactions energy: -341.411
where: short stacking energy: -163.353
Base-Backbone interact. energy: 2.001
local terms energy: -189.153229
where:
bonds (distance) C4'-P energy: -40.442
bonds (distance) P-C4' energy: -50.402
flat angles C4'-P-C4' energy: -34.011
flat angles P-C4'-P energy: -31.769
tors. eta vs tors. theta energy: -32.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -527.090618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.090618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.090618 (E_RNA)
where:
Base-Base interactions energy: -331.825
where: short stacking energy: -163.613
Base-Backbone interact. energy: -0.228
local terms energy: -195.037540
where:
bonds (distance) C4'-P energy: -43.409
bonds (distance) P-C4' energy: -49.270
flat angles C4'-P-C4' energy: -42.661
flat angles P-C4'-P energy: -26.058
tors. eta vs tors. theta energy: -33.639
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: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -446.292833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.292833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.292833 (E_RNA)
where:
Base-Base interactions energy: -281.662
where: short stacking energy: -141.203
Base-Backbone interact. energy: 1.368
local terms energy: -165.999015
where:
bonds (distance) C4'-P energy: -30.401
bonds (distance) P-C4' energy: -44.610
flat angles C4'-P-C4' energy: -48.470
flat angles P-C4'-P energy: -27.638
tors. eta vs tors. theta energy: -14.880
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: 3
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -278.020418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.020418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.020418 (E_RNA)
where:
Base-Base interactions energy: -145.565
where: short stacking energy: -91.153
Base-Backbone interact. energy: -0.608
local terms energy: -131.846756
where:
bonds (distance) C4'-P energy: -38.059
bonds (distance) P-C4' energy: -38.999
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -27.139
tors. eta vs tors. theta energy: -5.925
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: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -842.939160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.939160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.939160 (E_RNA)
where:
Base-Base interactions energy: -610.732
where: short stacking energy: -246.810
Base-Backbone interact. energy: 3.435
local terms energy: -235.642738
where:
bonds (distance) C4'-P energy: -45.640
bonds (distance) P-C4' energy: -50.933
flat angles C4'-P-C4' energy: -49.437
flat angles P-C4'-P energy: -26.564
tors. eta vs tors. theta energy: -63.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -814.017629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.017629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.017629 (E_RNA)
where:
Base-Base interactions energy: -566.557
where: short stacking energy: -236.324
Base-Backbone interact. energy: -2.690
local terms energy: -244.770397
where:
bonds (distance) C4'-P energy: -45.965
bonds (distance) P-C4' energy: -49.850
flat angles C4'-P-C4' energy: -53.103
flat angles P-C4'-P energy: -37.131
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: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -804.925320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.925320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.925320 (E_RNA)
where:
Base-Base interactions energy: -546.395
where: short stacking energy: -251.556
Base-Backbone interact. energy: -1.460
local terms energy: -257.069984
where:
bonds (distance) C4'-P energy: -47.105
bonds (distance) P-C4' energy: -42.064
flat angles C4'-P-C4' energy: -47.838
flat angles P-C4'-P energy: -40.845
tors. eta vs tors. theta energy: -79.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -743.391638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.391638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.391638 (E_RNA)
where:
Base-Base interactions energy: -492.278
where: short stacking energy: -229.244
Base-Backbone interact. energy: -1.446
local terms energy: -249.667883
where:
bonds (distance) C4'-P energy: -31.141
bonds (distance) P-C4' energy: -56.697
flat angles C4'-P-C4' energy: -49.859
flat angles P-C4'-P energy: -42.280
tors. eta vs tors. theta energy: -69.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -642.600322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.600322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.600322 (E_RNA)
where:
Base-Base interactions energy: -429.263
where: short stacking energy: -186.572
Base-Backbone interact. energy: -0.457
local terms energy: -212.880241
where:
bonds (distance) C4'-P energy: -42.514
bonds (distance) P-C4' energy: -47.966
flat angles C4'-P-C4' energy: -46.073
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: -54.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -658.678936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.678936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.678936 (E_RNA)
where:
Base-Base interactions energy: -449.920
where: short stacking energy: -189.129
Base-Backbone interact. energy: -1.038
local terms energy: -207.721439
where:
bonds (distance) C4'-P energy: -37.265
bonds (distance) P-C4' energy: -44.053
flat angles C4'-P-C4' energy: -52.081
flat angles P-C4'-P energy: -29.358
tors. eta vs tors. theta energy: -44.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -552.235794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.235794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.235794 (E_RNA)
where:
Base-Base interactions energy: -361.750
where: short stacking energy: -163.752
Base-Backbone interact. energy: -1.143
local terms energy: -189.342793
where:
bonds (distance) C4'-P energy: -43.513
bonds (distance) P-C4' energy: -39.597
flat angles C4'-P-C4' energy: -42.060
flat angles P-C4'-P energy: -27.635
tors. eta vs tors. theta energy: -36.537
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: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -492.255484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.255484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.255484 (E_RNA)
where:
Base-Base interactions energy: -306.026
where: short stacking energy: -152.867
Base-Backbone interact. energy: 2.196
local terms energy: -188.424829
where:
bonds (distance) C4'-P energy: -38.432
bonds (distance) P-C4' energy: -45.217
flat angles C4'-P-C4' energy: -42.520
flat angles P-C4'-P energy: -34.927
tors. eta vs tors. theta energy: -27.328
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: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -456.057354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.057354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.057354 (E_RNA)
where:
Base-Base interactions energy: -276.270
where: short stacking energy: -120.503
Base-Backbone interact. energy: -2.212
local terms energy: -177.574643
where:
bonds (distance) C4'-P energy: -45.789
bonds (distance) P-C4' energy: -42.128
flat angles C4'-P-C4' energy: -42.665
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: -25.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -266.333309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.333309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.333309 (E_RNA)
where:
Base-Base interactions energy: -135.935
where: short stacking energy: -82.149
Base-Backbone interact. energy: -1.409
local terms energy: -128.988681
where:
bonds (distance) C4'-P energy: -36.813
bonds (distance) P-C4' energy: -36.652
flat angles C4'-P-C4' energy: -36.157
flat angles P-C4'-P energy: -28.893
tors. eta vs tors. theta energy: 9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -838.280170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.280170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.280170 (E_RNA)
where:
Base-Base interactions energy: -591.692
where: short stacking energy: -229.419
Base-Backbone interact. energy: -1.667
local terms energy: -244.921096
where:
bonds (distance) C4'-P energy: -43.315
bonds (distance) P-C4' energy: -53.846
flat angles C4'-P-C4' energy: -53.705
flat angles P-C4'-P energy: -33.858
tors. eta vs tors. theta energy: -60.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -835.775083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.775083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.775083 (E_RNA)
where:
Base-Base interactions energy: -587.944
where: short stacking energy: -254.331
Base-Backbone interact. energy: -2.541
local terms energy: -245.290318
where:
bonds (distance) C4'-P energy: -46.311
bonds (distance) P-C4' energy: -47.241
flat angles C4'-P-C4' energy: -55.370
flat angles P-C4'-P energy: -33.387
tors. eta vs tors. theta energy: -62.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -807.369509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.369509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.369509 (E_RNA)
where:
Base-Base interactions energy: -557.199
where: short stacking energy: -248.784
Base-Backbone interact. energy: -1.363
local terms energy: -248.807021
where:
bonds (distance) C4'-P energy: -43.421
bonds (distance) P-C4' energy: -46.839
flat angles C4'-P-C4' energy: -45.891
flat angles P-C4'-P energy: -41.442
tors. eta vs tors. theta energy: -71.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -760.980798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.980798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.980798 (E_RNA)
where:
Base-Base interactions energy: -507.871
where: short stacking energy: -240.511
Base-Backbone interact. energy: -0.982
local terms energy: -252.127477
where:
bonds (distance) C4'-P energy: -36.645
bonds (distance) P-C4' energy: -48.190
flat angles C4'-P-C4' energy: -52.126
flat angles P-C4'-P energy: -38.954
tors. eta vs tors. theta energy: -76.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -626.925089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.925089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.925089 (E_RNA)
where:
Base-Base interactions energy: -398.341
where: short stacking energy: -191.287
Base-Backbone interact. energy: -0.730
local terms energy: -227.854630
where:
bonds (distance) C4'-P energy: -47.945
bonds (distance) P-C4' energy: -47.313
flat angles C4'-P-C4' energy: -48.705
flat angles P-C4'-P energy: -26.101
tors. eta vs tors. theta energy: -57.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -655.961055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.961055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.961055 (E_RNA)
where:
Base-Base interactions energy: -465.745
where: short stacking energy: -185.529
Base-Backbone interact. energy: -0.124
local terms energy: -190.091747
where:
bonds (distance) C4'-P energy: -41.648
bonds (distance) P-C4' energy: -45.408
flat angles C4'-P-C4' energy: -40.990
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -39.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -522.320826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.320826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.320826 (E_RNA)
where:
Base-Base interactions energy: -324.701
where: short stacking energy: -156.675
Base-Backbone interact. energy: -0.776
local terms energy: -196.843677
where:
bonds (distance) C4'-P energy: -42.383
bonds (distance) P-C4' energy: -41.933
flat angles C4'-P-C4' energy: -41.860
flat angles P-C4'-P energy: -34.025
tors. eta vs tors. theta energy: -36.644
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: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -516.267422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.267422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.267422 (E_RNA)
where:
Base-Base interactions energy: -331.668
where: short stacking energy: -142.003
Base-Backbone interact. energy: -2.087
local terms energy: -182.512596
where:
bonds (distance) C4'-P energy: -42.775
bonds (distance) P-C4' energy: -37.617
flat angles C4'-P-C4' energy: -39.044
flat angles P-C4'-P energy: -33.528
tors. eta vs tors. theta energy: -29.547
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: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -484.810082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.810082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.810082 (E_RNA)
where:
Base-Base interactions energy: -305.494
where: short stacking energy: -143.348
Base-Backbone interact. energy: 3.662
local terms energy: -182.978145
where:
bonds (distance) C4'-P energy: -28.868
bonds (distance) P-C4' energy: -47.094
flat angles C4'-P-C4' energy: -42.426
flat angles P-C4'-P energy: -28.741
tors. eta vs tors. theta energy: -35.849
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: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -325.954869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.954869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.954869 (E_RNA)
where:
Base-Base interactions energy: -180.902
where: short stacking energy: -97.384
Base-Backbone interact. energy: 2.891
local terms energy: -147.944099
where:
bonds (distance) C4'-P energy: -29.889
bonds (distance) P-C4' energy: -38.534
flat angles C4'-P-C4' energy: -44.024
flat angles P-C4'-P energy: -19.999
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -853.148368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.148368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.148368 (E_RNA)
where:
Base-Base interactions energy: -602.946
where: short stacking energy: -245.131
Base-Backbone interact. energy: -2.098
local terms energy: -248.104084
where:
bonds (distance) C4'-P energy: -45.541
bonds (distance) P-C4' energy: -49.199
flat angles C4'-P-C4' energy: -57.319
flat angles P-C4'-P energy: -35.523
tors. eta vs tors. theta energy: -60.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -825.480943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.480943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.480943 (E_RNA)
where:
Base-Base interactions energy: -580.457
where: short stacking energy: -236.670
Base-Backbone interact. energy: -1.203
local terms energy: -243.820174
where:
bonds (distance) C4'-P energy: -49.075
bonds (distance) P-C4' energy: -50.948
flat angles C4'-P-C4' energy: -51.708
flat angles P-C4'-P energy: -31.520
tors. eta vs tors. theta energy: -60.569
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: 3, replica: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -797.737964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.737964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.737964 (E_RNA)
where:
Base-Base interactions energy: -540.813
where: short stacking energy: -251.395
Base-Backbone interact. energy: -0.310
local terms energy: -256.615550
where:
bonds (distance) C4'-P energy: -46.607
bonds (distance) P-C4' energy: -47.658
flat angles C4'-P-C4' energy: -55.751
flat angles P-C4'-P energy: -35.860
tors. eta vs tors. theta energy: -70.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -771.449817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.449817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.449817 (E_RNA)
where:
Base-Base interactions energy: -519.069
where: short stacking energy: -237.237
Base-Backbone interact. energy: -0.444
local terms energy: -251.936754
where:
bonds (distance) C4'-P energy: -42.695
bonds (distance) P-C4' energy: -51.329
flat angles C4'-P-C4' energy: -52.489
flat angles P-C4'-P energy: -37.664
tors. eta vs tors. theta energy: -67.760
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: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -666.904306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.904306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.904306 (E_RNA)
where:
Base-Base interactions energy: -444.178
where: short stacking energy: -203.889
Base-Backbone interact. energy: -0.834
local terms energy: -221.892921
where:
bonds (distance) C4'-P energy: -40.997
bonds (distance) P-C4' energy: -38.473
flat angles C4'-P-C4' energy: -51.470
flat angles P-C4'-P energy: -38.735
tors. eta vs tors. theta energy: -52.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -643.649189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.649189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.649189 (E_RNA)
where:
Base-Base interactions energy: -427.649
where: short stacking energy: -198.710
Base-Backbone interact. energy: -0.227
local terms energy: -215.773175
where:
bonds (distance) C4'-P energy: -49.897
bonds (distance) P-C4' energy: -44.029
flat angles C4'-P-C4' energy: -45.199
flat angles P-C4'-P energy: -29.990
tors. eta vs tors. theta energy: -46.658
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: 192
Temperature: 1.200000
Total energy: -516.518419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.518419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.518419 (E_RNA)
where:
Base-Base interactions energy: -307.539
where: short stacking energy: -151.830
Base-Backbone interact. energy: -1.650
local terms energy: -207.329540
where:
bonds (distance) C4'-P energy: -48.442
bonds (distance) P-C4' energy: -43.401
flat angles C4'-P-C4' energy: -48.576
flat angles P-C4'-P energy: -25.501
tors. eta vs tors. theta energy: -41.409
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: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -522.721913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.721913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.721913 (E_RNA)
where:
Base-Base interactions energy: -349.818
where: short stacking energy: -160.457
Base-Backbone interact. energy: 0.159
local terms energy: -173.062444
where:
bonds (distance) C4'-P energy: -38.462
bonds (distance) P-C4' energy: -44.042
flat angles C4'-P-C4' energy: -37.532
flat angles P-C4'-P energy: -22.391
tors. eta vs tors. theta energy: -30.636
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: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -433.284420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.284420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.284420 (E_RNA)
where:
Base-Base interactions energy: -263.952
where: short stacking energy: -118.066
Base-Backbone interact. energy: 1.586
local terms energy: -170.918624
where:
bonds (distance) C4'-P energy: -41.717
bonds (distance) P-C4' energy: -40.978
flat angles C4'-P-C4' energy: -42.667
flat angles P-C4'-P energy: -24.317
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -354.839173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.839173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.839173 (E_RNA)
where:
Base-Base interactions energy: -200.434
where: short stacking energy: -93.503
Base-Backbone interact. energy: -0.740
local terms energy: -153.665562
where:
bonds (distance) C4'-P energy: -40.219
bonds (distance) P-C4' energy: -45.262
flat angles C4'-P-C4' energy: -36.264
flat angles P-C4'-P energy: -22.850
tors. eta vs tors. theta energy: -9.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -847.111992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.111992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.111992 (E_RNA)
where:
Base-Base interactions energy: -590.006
where: short stacking energy: -239.503
Base-Backbone interact. energy: -1.660
local terms energy: -255.446496
where:
bonds (distance) C4'-P energy: -48.687
bonds (distance) P-C4' energy: -53.546
flat angles C4'-P-C4' energy: -51.910
flat angles P-C4'-P energy: -38.167
tors. eta vs tors. theta energy: -63.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -824.196243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.196243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.196243 (E_RNA)
where:
Base-Base interactions energy: -580.902
where: short stacking energy: -224.729
Base-Backbone interact. energy: 0.130
local terms energy: -243.424695
where:
bonds (distance) C4'-P energy: -47.565
bonds (distance) P-C4' energy: -49.203
flat angles C4'-P-C4' energy: -56.966
flat angles P-C4'-P energy: -33.398
tors. eta vs tors. theta energy: -56.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -791.105874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.105874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.105874 (E_RNA)
where:
Base-Base interactions energy: -539.800
where: short stacking energy: -249.345
Base-Backbone interact. energy: -1.658
local terms energy: -249.647921
where:
bonds (distance) C4'-P energy: -48.382
bonds (distance) P-C4' energy: -42.423
flat angles C4'-P-C4' energy: -51.243
flat angles P-C4'-P energy: -35.331
tors. eta vs tors. theta energy: -72.269
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: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -745.333530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.333530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.333530 (E_RNA)
where:
Base-Base interactions energy: -503.101
where: short stacking energy: -216.240
Base-Backbone interact. energy: -0.496
local terms energy: -241.736342
where:
bonds (distance) C4'-P energy: -43.180
bonds (distance) P-C4' energy: -42.871
flat angles C4'-P-C4' energy: -54.107
flat angles P-C4'-P energy: -30.873
tors. eta vs tors. theta energy: -70.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -680.472466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.472466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.472466 (E_RNA)
where:
Base-Base interactions energy: -459.146
where: short stacking energy: -201.448
Base-Backbone interact. energy: -1.730
local terms energy: -219.596593
where:
bonds (distance) C4'-P energy: -36.990
bonds (distance) P-C4' energy: -44.879
flat angles C4'-P-C4' energy: -50.615
flat angles P-C4'-P energy: -35.097
tors. eta vs tors. theta energy: -52.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -666.089719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.089719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.089719 (E_RNA)
where:
Base-Base interactions energy: -461.246
where: short stacking energy: -196.295
Base-Backbone interact. energy: -0.187
local terms energy: -204.657462
where:
bonds (distance) C4'-P energy: -41.825
bonds (distance) P-C4' energy: -28.748
flat angles C4'-P-C4' energy: -54.471
flat angles P-C4'-P energy: -24.769
tors. eta vs tors. theta energy: -54.844
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: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -560.438628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.438628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.438628 (E_RNA)
where:
Base-Base interactions energy: -351.946
where: short stacking energy: -158.883
Base-Backbone interact. energy: 1.783
local terms energy: -210.276430
where:
bonds (distance) C4'-P energy: -56.331
bonds (distance) P-C4' energy: -41.733
flat angles C4'-P-C4' energy: -43.406
flat angles P-C4'-P energy: -29.445
tors. eta vs tors. theta energy: -39.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -527.463727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.463727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.463727 (E_RNA)
where:
Base-Base interactions energy: -340.611
where: short stacking energy: -150.752
Base-Backbone interact. energy: -1.586
local terms energy: -185.266707
where:
bonds (distance) C4'-P energy: -36.437
bonds (distance) P-C4' energy: -38.972
flat angles C4'-P-C4' energy: -41.058
flat angles P-C4'-P energy: -33.677
tors. eta vs tors. theta energy: -35.123
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: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -451.510509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.510509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.510509 (E_RNA)
where:
Base-Base interactions energy: -272.122
where: short stacking energy: -128.140
Base-Backbone interact. energy: -0.011
local terms energy: -179.377257
where:
bonds (distance) C4'-P energy: -33.656
bonds (distance) P-C4' energy: -41.723
flat angles C4'-P-C4' energy: -44.633
flat angles P-C4'-P energy: -32.178
tors. eta vs tors. theta energy: -27.187
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: 10, replica: 3
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -324.628008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.628008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.628008 (E_RNA)
where:
Base-Base interactions energy: -179.501
where: short stacking energy: -104.340
Base-Backbone interact. energy: -0.738
local terms energy: -144.389276
where:
bonds (distance) C4'-P energy: -33.187
bonds (distance) P-C4' energy: -36.977
flat angles C4'-P-C4' energy: -38.824
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -830.700023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.700023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.700023 (E_RNA)
where:
Base-Base interactions energy: -596.479
where: short stacking energy: -235.441
Base-Backbone interact. energy: -1.948
local terms energy: -232.272996
where:
bonds (distance) C4'-P energy: -46.963
bonds (distance) P-C4' energy: -49.198
flat angles C4'-P-C4' energy: -48.680
flat angles P-C4'-P energy: -30.559
tors. eta vs tors. theta energy: -56.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -827.853627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.853627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.853627 (E_RNA)
where:
Base-Base interactions energy: -579.137
where: short stacking energy: -227.810
Base-Backbone interact. energy: -3.531
local terms energy: -245.185935
where:
bonds (distance) C4'-P energy: -47.641
bonds (distance) P-C4' energy: -42.898
flat angles C4'-P-C4' energy: -47.579
flat angles P-C4'-P energy: -42.261
tors. eta vs tors. theta energy: -64.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -816.633162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.633162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.633162 (E_RNA)
where:
Base-Base interactions energy: -568.814
where: short stacking energy: -244.273
Base-Backbone interact. energy: -1.537
local terms energy: -246.281477
where:
bonds (distance) C4'-P energy: -42.985
bonds (distance) P-C4' energy: -47.948
flat angles C4'-P-C4' energy: -51.978
flat angles P-C4'-P energy: -33.763
tors. eta vs tors. theta energy: -69.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -732.723702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.723702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.723702 (E_RNA)
where:
Base-Base interactions energy: -485.009
where: short stacking energy: -223.509
Base-Backbone interact. energy: -0.468
local terms energy: -247.246833
where:
bonds (distance) C4'-P energy: -44.979
bonds (distance) P-C4' energy: -46.369
flat angles C4'-P-C4' energy: -53.448
flat angles P-C4'-P energy: -32.260
tors. eta vs tors. theta energy: -70.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -700.586746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.586746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.586746 (E_RNA)
where:
Base-Base interactions energy: -448.375
where: short stacking energy: -189.280
Base-Backbone interact. energy: -2.619
local terms energy: -249.592547
where:
bonds (distance) C4'-P energy: -45.924
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -52.450
flat angles P-C4'-P energy: -40.118
tors. eta vs tors. theta energy: -55.633
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: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -649.747048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.747048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.747048 (E_RNA)
where:
Base-Base interactions energy: -432.819
where: short stacking energy: -199.670
Base-Backbone interact. energy: -0.042
local terms energy: -216.885669
where:
bonds (distance) C4'-P energy: -42.104
bonds (distance) P-C4' energy: -39.973
flat angles C4'-P-C4' energy: -47.201
flat angles P-C4'-P energy: -29.005
tors. eta vs tors. theta energy: -58.603
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: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -584.481780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.481780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.481780 (E_RNA)
where:
Base-Base interactions energy: -385.313
where: short stacking energy: -178.364
Base-Backbone interact. energy: 0.782
local terms energy: -199.950060
where:
bonds (distance) C4'-P energy: -29.905
bonds (distance) P-C4' energy: -46.112
flat angles C4'-P-C4' energy: -47.311
flat angles P-C4'-P energy: -29.280
tors. eta vs tors. theta energy: -47.341
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: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -481.237254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.237254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.237254 (E_RNA)
where:
Base-Base interactions energy: -291.125
where: short stacking energy: -145.094
Base-Backbone interact. energy: 1.867
local terms energy: -191.979560
where:
bonds (distance) C4'-P energy: -41.394
bonds (distance) P-C4' energy: -42.310
flat angles C4'-P-C4' energy: -42.720
flat angles P-C4'-P energy: -31.121
tors. eta vs tors. theta energy: -34.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -439.791746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.791746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.791746 (E_RNA)
where:
Base-Base interactions energy: -270.309
where: short stacking energy: -132.436
Base-Backbone interact. energy: -1.411
local terms energy: -168.071604
where:
bonds (distance) C4'-P energy: -33.424
bonds (distance) P-C4' energy: -42.546
flat angles C4'-P-C4' energy: -37.292
flat angles P-C4'-P energy: -30.264
tors. eta vs tors. theta energy: -24.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -373.847505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.847505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.847505 (E_RNA)
where:
Base-Base interactions energy: -215.883
where: short stacking energy: -92.062
Base-Backbone interact. energy: -0.671
local terms energy: -157.293412
where:
bonds (distance) C4'-P energy: -22.567
bonds (distance) P-C4' energy: -50.958
flat angles C4'-P-C4' energy: -44.448
flat angles P-C4'-P energy: -25.786
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -848.719536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.719536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.719536 (E_RNA)
where:
Base-Base interactions energy: -602.678
where: short stacking energy: -238.882
Base-Backbone interact. energy: -1.624
local terms energy: -244.417713
where:
bonds (distance) C4'-P energy: -48.975
bonds (distance) P-C4' energy: -56.481
flat angles C4'-P-C4' energy: -50.574
flat angles P-C4'-P energy: -27.116
tors. eta vs tors. theta energy: -61.272
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: 10
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -830.467932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.467932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.467932 (E_RNA)
where:
Base-Base interactions energy: -586.036
where: short stacking energy: -225.379
Base-Backbone interact. energy: 0.505
local terms energy: -244.937025
where:
bonds (distance) C4'-P energy: -49.684
bonds (distance) P-C4' energy: -48.382
flat angles C4'-P-C4' energy: -50.223
flat angles P-C4'-P energy: -41.027
tors. eta vs tors. theta energy: -55.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -795.916417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.916417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.916417 (E_RNA)
where:
Base-Base interactions energy: -534.688
where: short stacking energy: -224.875
Base-Backbone interact. energy: -0.875
local terms energy: -260.352571
where:
bonds (distance) C4'-P energy: -48.290
bonds (distance) P-C4' energy: -55.134
flat angles C4'-P-C4' energy: -52.764
flat angles P-C4'-P energy: -38.600
tors. eta vs tors. theta energy: -65.564
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: 195
Temperature: 1.050000
Total energy: -743.527824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.527824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.527824 (E_RNA)
where:
Base-Base interactions energy: -501.298
where: short stacking energy: -241.323
Base-Backbone interact. energy: 2.109
local terms energy: -244.338668
where:
bonds (distance) C4'-P energy: -39.621
bonds (distance) P-C4' energy: -49.573
flat angles C4'-P-C4' energy: -49.108
flat angles P-C4'-P energy: -33.064
tors. eta vs tors. theta energy: -72.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -687.152917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.152917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.152917 (E_RNA)
where:
Base-Base interactions energy: -453.507
where: short stacking energy: -206.738
Base-Backbone interact. energy: -1.764
local terms energy: -231.882553
where:
bonds (distance) C4'-P energy: -42.081
bonds (distance) P-C4' energy: -45.975
flat angles C4'-P-C4' energy: -48.585
flat angles P-C4'-P energy: -37.451
tors. eta vs tors. theta energy: -57.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -589.208758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.208758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.208758 (E_RNA)
where:
Base-Base interactions energy: -394.873
where: short stacking energy: -183.383
Base-Backbone interact. energy: -0.678
local terms energy: -193.657663
where:
bonds (distance) C4'-P energy: -49.287
bonds (distance) P-C4' energy: -43.100
flat angles C4'-P-C4' energy: -40.103
flat angles P-C4'-P energy: -22.054
tors. eta vs tors. theta energy: -39.113
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: 7, replica: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -660.642659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.642659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.642659 (E_RNA)
where:
Base-Base interactions energy: -438.689
where: short stacking energy: -204.727
Base-Backbone interact. energy: -0.806
local terms energy: -221.147932
where:
bonds (distance) C4'-P energy: -46.087
bonds (distance) P-C4' energy: -41.715
flat angles C4'-P-C4' energy: -43.494
flat angles P-C4'-P energy: -37.093
tors. eta vs tors. theta energy: -52.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -477.240728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.240728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.240728 (E_RNA)
where:
Base-Base interactions energy: -316.144
where: short stacking energy: -129.488
Base-Backbone interact. energy: -0.526
local terms energy: -160.570695
where:
bonds (distance) C4'-P energy: -38.703
bonds (distance) P-C4' energy: -38.091
flat angles C4'-P-C4' energy: -38.739
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: -24.847
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: 195
Temperature: 1.300000
Total energy: -476.238153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.238153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.238153 (E_RNA)
where:
Base-Base interactions energy: -305.191
where: short stacking energy: -121.162
Base-Backbone interact. energy: 2.727
local terms energy: -173.774836
where:
bonds (distance) C4'-P energy: -43.024
bonds (distance) P-C4' energy: -38.259
flat angles C4'-P-C4' energy: -42.894
flat angles P-C4'-P energy: -19.927
tors. eta vs tors. theta energy: -29.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -387.210471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.210471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.210471 (E_RNA)
where:
Base-Base interactions energy: -218.235
where: short stacking energy: -109.021
Base-Backbone interact. energy: -0.766
local terms energy: -168.209212
where:
bonds (distance) C4'-P energy: -45.546
bonds (distance) P-C4' energy: -42.346
flat angles C4'-P-C4' energy: -38.429
flat angles P-C4'-P energy: -25.782
tors. eta vs tors. theta energy: -16.106
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: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -858.088231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.088231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.088231 (E_RNA)
where:
Base-Base interactions energy: -618.148
where: short stacking energy: -249.028
Base-Backbone interact. energy: -0.920
local terms energy: -239.020881
where:
bonds (distance) C4'-P energy: -39.541
bonds (distance) P-C4' energy: -48.405
flat angles C4'-P-C4' energy: -48.644
flat angles P-C4'-P energy: -37.414
tors. eta vs tors. theta energy: -65.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -826.936736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.936736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.936736 (E_RNA)
where:
Base-Base interactions energy: -586.841
where: short stacking energy: -234.431
Base-Backbone interact. energy: -0.836
local terms energy: -239.259688
where:
bonds (distance) C4'-P energy: -48.042
bonds (distance) P-C4' energy: -49.736
flat angles C4'-P-C4' energy: -49.318
flat angles P-C4'-P energy: -34.289
tors. eta vs tors. theta energy: -57.875
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: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -789.194236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.194236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.194236 (E_RNA)
where:
Base-Base interactions energy: -553.070
where: short stacking energy: -243.196
Base-Backbone interact. energy: -1.219
local terms energy: -234.905432
where:
bonds (distance) C4'-P energy: -38.479
bonds (distance) P-C4' energy: -52.314
flat angles C4'-P-C4' energy: -50.784
flat angles P-C4'-P energy: -26.991
tors. eta vs tors. theta energy: -66.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -724.833124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.833124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.833124 (E_RNA)
where:
Base-Base interactions energy: -488.158
where: short stacking energy: -234.931
Base-Backbone interact. energy: -0.895
local terms energy: -235.780913
where:
bonds (distance) C4'-P energy: -52.141
bonds (distance) P-C4' energy: -45.992
flat angles C4'-P-C4' energy: -47.793
flat angles P-C4'-P energy: -20.733
tors. eta vs tors. theta energy: -69.123
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: 196
Temperature: 1.100000
Total energy: -672.909349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.909349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.909349 (E_RNA)
where:
Base-Base interactions energy: -452.804
where: short stacking energy: -201.185
Base-Backbone interact. energy: 0.617
local terms energy: -220.722805
where:
bonds (distance) C4'-P energy: -40.891
bonds (distance) P-C4' energy: -42.027
flat angles C4'-P-C4' energy: -49.512
flat angles P-C4'-P energy: -32.374
tors. eta vs tors. theta energy: -55.920
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: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -576.071422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.071422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.071422 (E_RNA)
where:
Base-Base interactions energy: -362.914
where: short stacking energy: -161.574
Base-Backbone interact. energy: -0.113
local terms energy: -213.044909
where:
bonds (distance) C4'-P energy: -49.524
bonds (distance) P-C4' energy: -53.245
flat angles C4'-P-C4' energy: -38.793
flat angles P-C4'-P energy: -31.041
tors. eta vs tors. theta energy: -40.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -665.745707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.745707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.745707 (E_RNA)
where:
Base-Base interactions energy: -452.093
where: short stacking energy: -194.022
Base-Backbone interact. energy: -0.773
local terms energy: -212.879535
where:
bonds (distance) C4'-P energy: -42.761
bonds (distance) P-C4' energy: -45.850
flat angles C4'-P-C4' energy: -36.413
flat angles P-C4'-P energy: -34.682
tors. eta vs tors. theta energy: -53.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -570.092290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.092290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.092290 (E_RNA)
where:
Base-Base interactions energy: -379.263
where: short stacking energy: -161.978
Base-Backbone interact. energy: -2.894
local terms energy: -187.935218
where:
bonds (distance) C4'-P energy: -45.228
bonds (distance) P-C4' energy: -35.050
flat angles C4'-P-C4' energy: -44.310
flat angles P-C4'-P energy: -28.745
tors. eta vs tors. theta energy: -34.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -449.508196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.508196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.508196 (E_RNA)
where:
Base-Base interactions energy: -279.871
where: short stacking energy: -136.392
Base-Backbone interact. energy: 0.177
local terms energy: -169.814106
where:
bonds (distance) C4'-P energy: -38.120
bonds (distance) P-C4' energy: -46.793
flat angles C4'-P-C4' energy: -36.006
flat angles P-C4'-P energy: -24.643
tors. eta vs tors. theta energy: -24.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -292.205211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.205211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.205211 (E_RNA)
where:
Base-Base interactions energy: -141.487
where: short stacking energy: -77.114
Base-Backbone interact. energy: 0.344
local terms energy: -151.062578
where:
bonds (distance) C4'-P energy: -25.707
bonds (distance) P-C4' energy: -52.428
flat angles C4'-P-C4' energy: -38.609
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: -10.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -867.375297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.375297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.375297 (E_RNA)
where:
Base-Base interactions energy: -614.231
where: short stacking energy: -241.192
Base-Backbone interact. energy: -2.132
local terms energy: -251.012379
where:
bonds (distance) C4'-P energy: -51.204
bonds (distance) P-C4' energy: -52.154
flat angles C4'-P-C4' energy: -55.418
flat angles P-C4'-P energy: -32.866
tors. eta vs tors. theta energy: -59.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -840.087016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.087016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.087016 (E_RNA)
where:
Base-Base interactions energy: -583.555
where: short stacking energy: -230.259
Base-Backbone interact. energy: -1.666
local terms energy: -254.866163
where:
bonds (distance) C4'-P energy: -43.801
bonds (distance) P-C4' energy: -51.537
flat angles C4'-P-C4' energy: -58.642
flat angles P-C4'-P energy: -35.265
tors. eta vs tors. theta energy: -65.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -787.448296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.448296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.448296 (E_RNA)
where:
Base-Base interactions energy: -543.343
where: short stacking energy: -251.380
Base-Backbone interact. energy: -1.003
local terms energy: -243.102369
where:
bonds (distance) C4'-P energy: -40.396
bonds (distance) P-C4' energy: -43.206
flat angles C4'-P-C4' energy: -51.536
flat angles P-C4'-P energy: -38.517
tors. eta vs tors. theta energy: -69.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -737.105607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.105607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.105607 (E_RNA)
where:
Base-Base interactions energy: -495.491
where: short stacking energy: -225.834
Base-Backbone interact. energy: -2.860
local terms energy: -238.754688
where:
bonds (distance) C4'-P energy: -43.452
bonds (distance) P-C4' energy: -43.716
flat angles C4'-P-C4' energy: -50.880
flat angles P-C4'-P energy: -34.766
tors. eta vs tors. theta energy: -65.941
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: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -664.596366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.596366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.596366 (E_RNA)
where:
Base-Base interactions energy: -452.519
where: short stacking energy: -186.097
Base-Backbone interact. energy: 0.811
local terms energy: -212.889099
where:
bonds (distance) C4'-P energy: -42.189
bonds (distance) P-C4' energy: -42.845
flat angles C4'-P-C4' energy: -45.500
flat angles P-C4'-P energy: -34.040
tors. eta vs tors. theta energy: -48.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -687.081857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.081857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.081857 (E_RNA)
where:
Base-Base interactions energy: -463.130
where: short stacking energy: -209.024
Base-Backbone interact. energy: -0.470
local terms energy: -223.482018
where:
bonds (distance) C4'-P energy: -31.623
bonds (distance) P-C4' energy: -48.787
flat angles C4'-P-C4' energy: -51.405
flat angles P-C4'-P energy: -34.648
tors. eta vs tors. theta energy: -57.019
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: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -540.635470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.635470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.635470 (E_RNA)
where:
Base-Base interactions energy: -341.607
where: short stacking energy: -151.626
Base-Backbone interact. energy: -0.697
local terms energy: -198.330674
where:
bonds (distance) C4'-P energy: -39.767
bonds (distance) P-C4' energy: -48.563
flat angles C4'-P-C4' energy: -47.290
flat angles P-C4'-P energy: -22.764
tors. eta vs tors. theta energy: -39.946
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: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -579.790723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.790723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.790723 (E_RNA)
where:
Base-Base interactions energy: -388.928
where: short stacking energy: -170.116
Base-Backbone interact. energy: -0.425
local terms energy: -190.438053
where:
bonds (distance) C4'-P energy: -38.235
bonds (distance) P-C4' energy: -36.937
flat angles C4'-P-C4' energy: -44.018
flat angles P-C4'-P energy: -27.266
tors. eta vs tors. theta energy: -43.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -473.375206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.375206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.375206 (E_RNA)
where:
Base-Base interactions energy: -298.813
where: short stacking energy: -135.826
Base-Backbone interact. energy: -2.272
local terms energy: -172.290301
where:
bonds (distance) C4'-P energy: -41.509
bonds (distance) P-C4' energy: -37.819
flat angles C4'-P-C4' energy: -28.738
flat angles P-C4'-P energy: -27.227
tors. eta vs tors. theta energy: -36.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -289.415543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.415543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.415543 (E_RNA)
where:
Base-Base interactions energy: -160.777
where: short stacking energy: -84.080
Base-Backbone interact. energy: -0.643
local terms energy: -127.995531
where:
bonds (distance) C4'-P energy: -32.140
bonds (distance) P-C4' energy: -42.544
flat angles C4'-P-C4' energy: -37.786
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -869.441783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.441783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.441783 (E_RNA)
where:
Base-Base interactions energy: -634.398
where: short stacking energy: -236.068
Base-Backbone interact. energy: 1.627
local terms energy: -236.670489
where:
bonds (distance) C4'-P energy: -41.377
bonds (distance) P-C4' energy: -50.161
flat angles C4'-P-C4' energy: -52.884
flat angles P-C4'-P energy: -37.879
tors. eta vs tors. theta energy: -54.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -840.352061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.352061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.352061 (E_RNA)
where:
Base-Base interactions energy: -596.536
where: short stacking energy: -238.060
Base-Backbone interact. energy: -0.584
local terms energy: -243.232580
where:
bonds (distance) C4'-P energy: -50.419
bonds (distance) P-C4' energy: -44.638
flat angles C4'-P-C4' energy: -53.211
flat angles P-C4'-P energy: -38.929
tors. eta vs tors. theta energy: -56.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -798.356750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.356750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.356750 (E_RNA)
where:
Base-Base interactions energy: -539.023
where: short stacking energy: -240.050
Base-Backbone interact. energy: -0.180
local terms energy: -259.154232
where:
bonds (distance) C4'-P energy: -45.990
bonds (distance) P-C4' energy: -50.623
flat angles C4'-P-C4' energy: -53.639
flat angles P-C4'-P energy: -44.848
tors. eta vs tors. theta energy: -64.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -740.595128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.595128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.595128 (E_RNA)
where:
Base-Base interactions energy: -488.723
where: short stacking energy: -235.042
Base-Backbone interact. energy: -0.936
local terms energy: -250.936073
where:
bonds (distance) C4'-P energy: -46.321
bonds (distance) P-C4' energy: -51.718
flat angles C4'-P-C4' energy: -50.505
flat angles P-C4'-P energy: -33.486
tors. eta vs tors. theta energy: -68.906
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: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -667.516349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.516349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.516349 (E_RNA)
where:
Base-Base interactions energy: -470.820
where: short stacking energy: -210.012
Base-Backbone interact. energy: -0.449
local terms energy: -196.247972
where:
bonds (distance) C4'-P energy: -44.263
bonds (distance) P-C4' energy: -36.286
flat angles C4'-P-C4' energy: -44.239
flat angles P-C4'-P energy: -24.993
tors. eta vs tors. theta energy: -46.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -678.925286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.925286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.925286 (E_RNA)
where:
Base-Base interactions energy: -474.594
where: short stacking energy: -202.755
Base-Backbone interact. energy: -1.077
local terms energy: -203.254678
where:
bonds (distance) C4'-P energy: -42.366
bonds (distance) P-C4' energy: -39.149
flat angles C4'-P-C4' energy: -46.290
flat angles P-C4'-P energy: -24.072
tors. eta vs tors. theta energy: -51.377
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: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -541.192974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.192974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.192974 (E_RNA)
where:
Base-Base interactions energy: -340.690
where: short stacking energy: -165.482
Base-Backbone interact. energy: -1.724
local terms energy: -198.778704
where:
bonds (distance) C4'-P energy: -43.498
bonds (distance) P-C4' energy: -48.909
flat angles C4'-P-C4' energy: -44.776
flat angles P-C4'-P energy: -30.159
tors. eta vs tors. theta energy: -31.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -549.801255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.801255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.801255 (E_RNA)
where:
Base-Base interactions energy: -361.400
where: short stacking energy: -168.252
Base-Backbone interact. energy: -0.697
local terms energy: -187.703888
where:
bonds (distance) C4'-P energy: -37.501
bonds (distance) P-C4' energy: -39.832
flat angles C4'-P-C4' energy: -40.441
flat angles P-C4'-P energy: -28.034
tors. eta vs tors. theta energy: -41.897
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: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -484.545757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.545757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.545757 (E_RNA)
where:
Base-Base interactions energy: -305.805
where: short stacking energy: -138.857
Base-Backbone interact. energy: -1.067
local terms energy: -177.673494
where:
bonds (distance) C4'-P energy: -41.452
bonds (distance) P-C4' energy: -42.302
flat angles C4'-P-C4' energy: -38.381
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -30.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -312.848936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.848936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.848936 (E_RNA)
where:
Base-Base interactions energy: -190.718
where: short stacking energy: -121.283
Base-Backbone interact. energy: 0.490
local terms energy: -122.620810
where:
bonds (distance) C4'-P energy: -40.572
bonds (distance) P-C4' energy: -26.165
flat angles C4'-P-C4' energy: -35.413
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -7.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -848.784827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.784827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.784827 (E_RNA)
where:
Base-Base interactions energy: -598.096
where: short stacking energy: -235.217
Base-Backbone interact. energy: -1.052
local terms energy: -249.636073
where:
bonds (distance) C4'-P energy: -45.019
bonds (distance) P-C4' energy: -57.185
flat angles C4'-P-C4' energy: -46.900
flat angles P-C4'-P energy: -42.926
tors. eta vs tors. theta energy: -57.606
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: 2, replica: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -837.296532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.296532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.296532 (E_RNA)
where:
Base-Base interactions energy: -590.220
where: short stacking energy: -226.748
Base-Backbone interact. energy: -0.395
local terms energy: -246.681415
where:
bonds (distance) C4'-P energy: -49.505
bonds (distance) P-C4' energy: -49.160
flat angles C4'-P-C4' energy: -49.285
flat angles P-C4'-P energy: -40.056
tors. eta vs tors. theta energy: -58.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -775.137438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.137438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.137438 (E_RNA)
where:
Base-Base interactions energy: -526.214
where: short stacking energy: -224.229
Base-Backbone interact. energy: -0.150
local terms energy: -248.773310
where:
bonds (distance) C4'-P energy: -52.356
bonds (distance) P-C4' energy: -53.509
flat angles C4'-P-C4' energy: -48.697
flat angles P-C4'-P energy: -29.879
tors. eta vs tors. theta energy: -64.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -731.206588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.206588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.206588 (E_RNA)
where:
Base-Base interactions energy: -476.149
where: short stacking energy: -234.531
Base-Backbone interact. energy: -0.242
local terms energy: -254.815516
where:
bonds (distance) C4'-P energy: -46.483
bonds (distance) P-C4' energy: -47.774
flat angles C4'-P-C4' energy: -52.324
flat angles P-C4'-P energy: -40.214
tors. eta vs tors. theta energy: -68.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -674.080900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.080900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.080900 (E_RNA)
where:
Base-Base interactions energy: -442.258
where: short stacking energy: -207.201
Base-Backbone interact. energy: -0.778
local terms energy: -231.044989
where:
bonds (distance) C4'-P energy: -52.526
bonds (distance) P-C4' energy: -45.814
flat angles C4'-P-C4' energy: -49.976
flat angles P-C4'-P energy: -28.784
tors. eta vs tors. theta energy: -53.945
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: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -714.707427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.707427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.707427 (E_RNA)
where:
Base-Base interactions energy: -487.894
where: short stacking energy: -194.444
Base-Backbone interact. energy: -1.022
local terms energy: -225.792372
where:
bonds (distance) C4'-P energy: -37.229
bonds (distance) P-C4' energy: -44.101
flat angles C4'-P-C4' energy: -48.582
flat angles P-C4'-P energy: -35.943
tors. eta vs tors. theta energy: -59.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -544.195697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.195697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.195697 (E_RNA)
where:
Base-Base interactions energy: -348.389
where: short stacking energy: -165.953
Base-Backbone interact. energy: -0.866
local terms energy: -194.940574
where:
bonds (distance) C4'-P energy: -34.064
bonds (distance) P-C4' energy: -50.015
flat angles C4'-P-C4' energy: -44.730
flat angles P-C4'-P energy: -20.286
tors. eta vs tors. theta energy: -45.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -590.662252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.662252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.662252 (E_RNA)
where:
Base-Base interactions energy: -404.113
where: short stacking energy: -175.559
Base-Backbone interact. energy: -0.899
local terms energy: -185.649645
where:
bonds (distance) C4'-P energy: -46.962
bonds (distance) P-C4' energy: -38.249
flat angles C4'-P-C4' energy: -38.790
flat angles P-C4'-P energy: -34.312
tors. eta vs tors. theta energy: -27.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -459.161215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.161215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.161215 (E_RNA)
where:
Base-Base interactions energy: -281.658
where: short stacking energy: -115.426
Base-Backbone interact. energy: -2.444
local terms energy: -175.059187
where:
bonds (distance) C4'-P energy: -42.816
bonds (distance) P-C4' energy: -50.463
flat angles C4'-P-C4' energy: -31.604
flat angles P-C4'-P energy: -24.572
tors. eta vs tors. theta energy: -25.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -308.412690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.412690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.412690 (E_RNA)
where:
Base-Base interactions energy: -158.499
where: short stacking energy: -96.286
Base-Backbone interact. energy: -0.814
local terms energy: -149.100141
where:
bonds (distance) C4'-P energy: -38.424
bonds (distance) P-C4' energy: -43.748
flat angles C4'-P-C4' energy: -35.854
flat angles P-C4'-P energy: -20.708
tors. eta vs tors. theta energy: -10.366
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: 200
Temperature: 0.900000
Total energy: -848.443063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.443063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.443063 (E_RNA)
where:
Base-Base interactions energy: -610.636
where: short stacking energy: -245.529
Base-Backbone interact. energy: -0.656
local terms energy: -237.150300
where:
bonds (distance) C4'-P energy: -40.634
bonds (distance) P-C4' energy: -47.703
flat angles C4'-P-C4' energy: -49.471
flat angles P-C4'-P energy: -35.869
tors. eta vs tors. theta energy: -63.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -839.540704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.540704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.540704 (E_RNA)
where:
Base-Base interactions energy: -603.505
where: short stacking energy: -230.385
Base-Backbone interact. energy: 1.576
local terms energy: -237.611262
where:
bonds (distance) C4'-P energy: -45.439
bonds (distance) P-C4' energy: -45.303
flat angles C4'-P-C4' energy: -56.069
flat angles P-C4'-P energy: -36.193
tors. eta vs tors. theta energy: -54.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -752.401774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.401774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.401774 (E_RNA)
where:
Base-Base interactions energy: -502.647
where: short stacking energy: -230.977
Base-Backbone interact. energy: -1.190
local terms energy: -248.564833
where:
bonds (distance) C4'-P energy: -45.608
bonds (distance) P-C4' energy: -47.503
flat angles C4'-P-C4' energy: -50.629
flat angles P-C4'-P energy: -39.724
tors. eta vs tors. theta energy: -65.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -766.927925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.927925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.927925 (E_RNA)
where:
Base-Base interactions energy: -526.144
where: short stacking energy: -247.273
Base-Backbone interact. energy: -0.124
local terms energy: -240.659640
where:
bonds (distance) C4'-P energy: -44.684
bonds (distance) P-C4' energy: -41.993
flat angles C4'-P-C4' energy: -51.324
flat angles P-C4'-P energy: -32.452
tors. eta vs tors. theta energy: -70.208
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: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -698.158408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.158408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.158408 (E_RNA)
where:
Base-Base interactions energy: -475.973
where: short stacking energy: -202.379
Base-Backbone interact. energy: -1.641
local terms energy: -220.543681
where:
bonds (distance) C4'-P energy: -32.023
bonds (distance) P-C4' energy: -49.920
flat angles C4'-P-C4' energy: -48.045
flat angles P-C4'-P energy: -31.711
tors. eta vs tors. theta energy: -58.845
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: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -647.074162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.074162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.074162 (E_RNA)
where:
Base-Base interactions energy: -438.696
where: short stacking energy: -184.314
Base-Backbone interact. energy: -1.004
local terms energy: -207.374628
where:
bonds (distance) C4'-P energy: -32.169
bonds (distance) P-C4' energy: -45.035
flat angles C4'-P-C4' energy: -50.097
flat angles P-C4'-P energy: -30.687
tors. eta vs tors. theta energy: -49.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -614.174086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.174086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.174086 (E_RNA)
where:
Base-Base interactions energy: -417.844
where: short stacking energy: -179.316
Base-Backbone interact. energy: -0.667
local terms energy: -195.662881
where:
bonds (distance) C4'-P energy: -49.472
bonds (distance) P-C4' energy: -38.257
flat angles C4'-P-C4' energy: -36.161
flat angles P-C4'-P energy: -26.227
tors. eta vs tors. theta energy: -45.545
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: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -506.189404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.189404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.189404 (E_RNA)
where:
Base-Base interactions energy: -342.686
where: short stacking energy: -149.896
Base-Backbone interact. energy: -1.156
local terms energy: -162.347277
where:
bonds (distance) C4'-P energy: -34.670
bonds (distance) P-C4' energy: -39.131
flat angles C4'-P-C4' energy: -39.829
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -28.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -453.566321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.566321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.566321 (E_RNA)
where:
Base-Base interactions energy: -297.750
where: short stacking energy: -126.510
Base-Backbone interact. energy: 5.830
local terms energy: -161.646223
where:
bonds (distance) C4'-P energy: -37.456
bonds (distance) P-C4' energy: -43.933
flat angles C4'-P-C4' energy: -37.807
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -27.515
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: 3
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -331.076345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.076345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.076345 (E_RNA)
where:
Base-Base interactions energy: -192.323
where: short stacking energy: -99.626
Base-Backbone interact. energy: 0.466
local terms energy: -139.218979
where:
bonds (distance) C4'-P energy: -51.912
bonds (distance) P-C4' energy: -45.197
flat angles C4'-P-C4' energy: -22.932
flat angles P-C4'-P energy: -15.050
tors. eta vs tors. theta energy: -4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -864.284076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.284076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.284076 (E_RNA)
where:
Base-Base interactions energy: -614.040
where: short stacking energy: -233.871
Base-Backbone interact. energy: -1.824
local terms energy: -248.420319
where:
bonds (distance) C4'-P energy: -43.715
bonds (distance) P-C4' energy: -47.363
flat angles C4'-P-C4' energy: -51.751
flat angles P-C4'-P energy: -40.529
tors. eta vs tors. theta energy: -65.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -834.674875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.674875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.674875 (E_RNA)
where:
Base-Base interactions energy: -605.054
where: short stacking energy: -224.967
Base-Backbone interact. energy: -1.472
local terms energy: -228.148079
where:
bonds (distance) C4'-P energy: -46.250
bonds (distance) P-C4' energy: -41.932
flat angles C4'-P-C4' energy: -53.702
flat angles P-C4'-P energy: -31.628
tors. eta vs tors. theta energy: -54.636
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: 6
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -746.230482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.230482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.230482 (E_RNA)
where:
Base-Base interactions energy: -499.595
where: short stacking energy: -232.557
Base-Backbone interact. energy: 0.111
local terms energy: -246.747109
where:
bonds (distance) C4'-P energy: -43.242
bonds (distance) P-C4' energy: -43.162
flat angles C4'-P-C4' energy: -51.686
flat angles P-C4'-P energy: -36.046
tors. eta vs tors. theta energy: -72.611
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: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -765.763819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.763819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.763819 (E_RNA)
where:
Base-Base interactions energy: -536.841
where: short stacking energy: -245.684
Base-Backbone interact. energy: -1.468
local terms energy: -227.454888
where:
bonds (distance) C4'-P energy: -32.918
bonds (distance) P-C4' energy: -43.174
flat angles C4'-P-C4' energy: -40.813
flat angles P-C4'-P energy: -37.862
tors. eta vs tors. theta energy: -72.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -719.874987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.874987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.874987 (E_RNA)
where:
Base-Base interactions energy: -502.633
where: short stacking energy: -237.532
Base-Backbone interact. energy: 0.978
local terms energy: -218.219854
where:
bonds (distance) C4'-P energy: -41.590
bonds (distance) P-C4' energy: -44.782
flat angles C4'-P-C4' energy: -48.953
flat angles P-C4'-P energy: -19.440
tors. eta vs tors. theta energy: -63.455
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: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -646.505315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.505315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.505315 (E_RNA)
where:
Base-Base interactions energy: -425.899
where: short stacking energy: -181.047
Base-Backbone interact. energy: -1.339
local terms energy: -219.267282
where:
bonds (distance) C4'-P energy: -42.565
bonds (distance) P-C4' energy: -46.565
flat angles C4'-P-C4' energy: -48.186
flat angles P-C4'-P energy: -32.121
tors. eta vs tors. theta energy: -49.830
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: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -628.661228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.661228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.661228 (E_RNA)
where:
Base-Base interactions energy: -408.137
where: short stacking energy: -171.873
Base-Backbone interact. energy: -0.208
local terms energy: -220.315836
where:
bonds (distance) C4'-P energy: -53.110
bonds (distance) P-C4' energy: -45.436
flat angles C4'-P-C4' energy: -45.533
flat angles P-C4'-P energy: -32.004
tors. eta vs tors. theta energy: -44.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -513.114740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.114740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.114740 (E_RNA)
where:
Base-Base interactions energy: -322.123
where: short stacking energy: -165.265
Base-Backbone interact. energy: -1.417
local terms energy: -189.574439
where:
bonds (distance) C4'-P energy: -37.974
bonds (distance) P-C4' energy: -33.229
flat angles C4'-P-C4' energy: -42.762
flat angles P-C4'-P energy: -32.881
tors. eta vs tors. theta energy: -42.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -401.164865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.164865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.164865 (E_RNA)
where:
Base-Base interactions energy: -238.825
where: short stacking energy: -121.639
Base-Backbone interact. energy: -1.348
local terms energy: -160.990932
where:
bonds (distance) C4'-P energy: -33.700
bonds (distance) P-C4' energy: -48.623
flat angles C4'-P-C4' energy: -35.813
flat angles P-C4'-P energy: -22.640
tors. eta vs tors. theta energy: -20.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -345.151327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.151327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.151327 (E_RNA)
where:
Base-Base interactions energy: -194.571
where: short stacking energy: -108.811
Base-Backbone interact. energy: -0.715
local terms energy: -149.865289
where:
bonds (distance) C4'-P energy: -34.802
bonds (distance) P-C4' energy: -41.980
flat angles C4'-P-C4' energy: -30.123
flat angles P-C4'-P energy: -26.736
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -848.000823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.000823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.000823 (E_RNA)
where:
Base-Base interactions energy: -619.699
where: short stacking energy: -242.625
Base-Backbone interact. energy: -2.504
local terms energy: -225.797681
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -50.844
flat angles C4'-P-C4' energy: -47.749
flat angles P-C4'-P energy: -35.328
tors. eta vs tors. theta energy: -60.771
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: 10
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -841.994183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.994183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.994183 (E_RNA)
where:
Base-Base interactions energy: -596.793
where: short stacking energy: -225.865
Base-Backbone interact. energy: -0.462
local terms energy: -244.738774
where:
bonds (distance) C4'-P energy: -39.689
bonds (distance) P-C4' energy: -56.652
flat angles C4'-P-C4' energy: -54.842
flat angles P-C4'-P energy: -36.241
tors. eta vs tors. theta energy: -57.315
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: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -744.577524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.577524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.577524 (E_RNA)
where:
Base-Base interactions energy: -502.069
where: short stacking energy: -232.596
Base-Backbone interact. energy: -0.824
local terms energy: -241.684538
where:
bonds (distance) C4'-P energy: -45.800
bonds (distance) P-C4' energy: -41.889
flat angles C4'-P-C4' energy: -51.713
flat angles P-C4'-P energy: -32.794
tors. eta vs tors. theta energy: -69.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -749.558973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.558973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.558973 (E_RNA)
where:
Base-Base interactions energy: -515.332
where: short stacking energy: -238.598
Base-Backbone interact. energy: 0.545
local terms energy: -234.771518
where:
bonds (distance) C4'-P energy: -53.158
bonds (distance) P-C4' energy: -40.998
flat angles C4'-P-C4' energy: -49.788
flat angles P-C4'-P energy: -27.182
tors. eta vs tors. theta energy: -63.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -680.687332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.687332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.687332 (E_RNA)
where:
Base-Base interactions energy: -464.547
where: short stacking energy: -211.065
Base-Backbone interact. energy: 1.719
local terms energy: -217.859267
where:
bonds (distance) C4'-P energy: -39.197
bonds (distance) P-C4' energy: -46.588
flat angles C4'-P-C4' energy: -54.219
flat angles P-C4'-P energy: -33.139
tors. eta vs tors. theta energy: -44.716
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: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -707.488748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.488748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.488748 (E_RNA)
where:
Base-Base interactions energy: -466.463
where: short stacking energy: -204.725
Base-Backbone interact. energy: 0.153
local terms energy: -241.178532
where:
bonds (distance) C4'-P energy: -49.943
bonds (distance) P-C4' energy: -58.851
flat angles C4'-P-C4' energy: -45.389
flat angles P-C4'-P energy: -27.652
tors. eta vs tors. theta energy: -59.344
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: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -639.959912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.959912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.959912 (E_RNA)
where:
Base-Base interactions energy: -440.009
where: short stacking energy: -175.570
Base-Backbone interact. energy: -1.676
local terms energy: -198.275025
where:
bonds (distance) C4'-P energy: -43.278
bonds (distance) P-C4' energy: -43.158
flat angles C4'-P-C4' energy: -47.833
flat angles P-C4'-P energy: -22.594
tors. eta vs tors. theta energy: -41.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -485.150401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.150401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.150401 (E_RNA)
where:
Base-Base interactions energy: -313.793
where: short stacking energy: -149.330
Base-Backbone interact. energy: 2.795
local terms energy: -174.152898
where:
bonds (distance) C4'-P energy: -40.003
bonds (distance) P-C4' energy: -42.213
flat angles C4'-P-C4' energy: -39.735
flat angles P-C4'-P energy: -25.021
tors. eta vs tors. theta energy: -27.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -385.244550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.244550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.244550 (E_RNA)
where:
Base-Base interactions energy: -213.529
where: short stacking energy: -106.566
Base-Backbone interact. energy: -1.228
local terms energy: -170.488163
where:
bonds (distance) C4'-P energy: -48.737
bonds (distance) P-C4' energy: -36.551
flat angles C4'-P-C4' energy: -40.024
flat angles P-C4'-P energy: -30.597
tors. eta vs tors. theta energy: -14.579
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: 202
Temperature: 1.350000
Total energy: -387.172952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.172952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.172952 (E_RNA)
where:
Base-Base interactions energy: -253.640
where: short stacking energy: -129.243
Base-Backbone interact. energy: 1.309
local terms energy: -134.841963
where:
bonds (distance) C4'-P energy: -39.887
bonds (distance) P-C4' energy: -26.911
flat angles C4'-P-C4' energy: -26.121
flat angles P-C4'-P energy: -29.450
tors. eta vs tors. theta energy: -12.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -857.684747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.684747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.684747 (E_RNA)
where:
Base-Base interactions energy: -606.106
where: short stacking energy: -247.404
Base-Backbone interact. energy: -2.985
local terms energy: -248.594279
where:
bonds (distance) C4'-P energy: -47.845
bonds (distance) P-C4' energy: -49.199
flat angles C4'-P-C4' energy: -54.118
flat angles P-C4'-P energy: -35.879
tors. eta vs tors. theta energy: -61.553
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: 10
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -832.306635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.306635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.306635 (E_RNA)
where:
Base-Base interactions energy: -588.764
where: short stacking energy: -239.512
Base-Backbone interact. energy: -0.307
local terms energy: -243.235621
where:
bonds (distance) C4'-P energy: -45.229
bonds (distance) P-C4' energy: -50.082
flat angles C4'-P-C4' energy: -53.611
flat angles P-C4'-P energy: -36.575
tors. eta vs tors. theta energy: -57.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -741.398157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.398157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.398157 (E_RNA)
where:
Base-Base interactions energy: -496.566
where: short stacking energy: -230.915
Base-Backbone interact. energy: -0.870
local terms energy: -243.962717
where:
bonds (distance) C4'-P energy: -43.872
bonds (distance) P-C4' energy: -49.117
flat angles C4'-P-C4' energy: -49.941
flat angles P-C4'-P energy: -37.571
tors. eta vs tors. theta energy: -63.462
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: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -765.747735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.747735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.747735 (E_RNA)
where:
Base-Base interactions energy: -513.628
where: short stacking energy: -249.064
Base-Backbone interact. energy: -0.033
local terms energy: -252.087123
where:
bonds (distance) C4'-P energy: -42.191
bonds (distance) P-C4' energy: -44.678
flat angles C4'-P-C4' energy: -55.343
flat angles P-C4'-P energy: -36.839
tors. eta vs tors. theta energy: -73.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -678.782258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.782258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.782258 (E_RNA)
where:
Base-Base interactions energy: -467.816
where: short stacking energy: -219.223
Base-Backbone interact. energy: -0.751
local terms energy: -210.215158
where:
bonds (distance) C4'-P energy: -39.729
bonds (distance) P-C4' energy: -41.276
flat angles C4'-P-C4' energy: -41.535
flat angles P-C4'-P energy: -29.711
tors. eta vs tors. theta energy: -57.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -708.245663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.245663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.245663 (E_RNA)
where:
Base-Base interactions energy: -476.019
where: short stacking energy: -213.544
Base-Backbone interact. energy: -0.388
local terms energy: -231.839219
where:
bonds (distance) C4'-P energy: -39.370
bonds (distance) P-C4' energy: -44.664
flat angles C4'-P-C4' energy: -51.166
flat angles P-C4'-P energy: -35.336
tors. eta vs tors. theta energy: -61.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -664.335986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.335986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.335986 (E_RNA)
where:
Base-Base interactions energy: -445.975
where: short stacking energy: -198.155
Base-Backbone interact. energy: -2.079
local terms energy: -216.281594
where:
bonds (distance) C4'-P energy: -43.584
bonds (distance) P-C4' energy: -44.581
flat angles C4'-P-C4' energy: -45.814
flat angles P-C4'-P energy: -28.881
tors. eta vs tors. theta energy: -53.421
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: 8, replica: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -498.005012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.005012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.005012 (E_RNA)
where:
Base-Base interactions energy: -304.423
where: short stacking energy: -137.854
Base-Backbone interact. energy: 0.467
local terms energy: -194.048258
where:
bonds (distance) C4'-P energy: -53.741
bonds (distance) P-C4' energy: -50.344
flat angles C4'-P-C4' energy: -35.672
flat angles P-C4'-P energy: -25.462
tors. eta vs tors. theta energy: -28.828
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: 3
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -389.856303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.856303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.856303 (E_RNA)
where:
Base-Base interactions energy: -219.557
where: short stacking energy: -96.857
Base-Backbone interact. energy: 1.089
local terms energy: -171.387547
where:
bonds (distance) C4'-P energy: -44.009
bonds (distance) P-C4' energy: -50.872
flat angles C4'-P-C4' energy: -38.460
flat angles P-C4'-P energy: -27.597
tors. eta vs tors. theta energy: -10.448
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: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -347.924888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.924888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.924888 (E_RNA)
where:
Base-Base interactions energy: -180.862
where: short stacking energy: -99.067
Base-Backbone interact. energy: -0.808
local terms energy: -166.254736
where:
bonds (distance) C4'-P energy: -41.865
bonds (distance) P-C4' energy: -48.653
flat angles C4'-P-C4' energy: -38.441
flat angles P-C4'-P energy: -27.793
tors. eta vs tors. theta energy: -9.502
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: 204
Temperature: 0.900000
Total energy: -827.559149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.559149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.559149 (E_RNA)
where:
Base-Base interactions energy: -587.282
where: short stacking energy: -241.670
Base-Backbone interact. energy: 0.341
local terms energy: -240.617814
where:
bonds (distance) C4'-P energy: -43.511
bonds (distance) P-C4' energy: -49.255
flat angles C4'-P-C4' energy: -50.104
flat angles P-C4'-P energy: -38.702
tors. eta vs tors. theta energy: -59.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -832.319478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.319478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.319478 (E_RNA)
where:
Base-Base interactions energy: -595.771
where: short stacking energy: -219.499
Base-Backbone interact. energy: -2.098
local terms energy: -234.449791
where:
bonds (distance) C4'-P energy: -46.027
bonds (distance) P-C4' energy: -51.812
flat angles C4'-P-C4' energy: -54.014
flat angles P-C4'-P energy: -28.023
tors. eta vs tors. theta energy: -54.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -781.994379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.994379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.994379 (E_RNA)
where:
Base-Base interactions energy: -529.621
where: short stacking energy: -242.086
Base-Backbone interact. energy: 1.210
local terms energy: -253.583586
where:
bonds (distance) C4'-P energy: -48.462
bonds (distance) P-C4' energy: -45.829
flat angles C4'-P-C4' energy: -52.486
flat angles P-C4'-P energy: -41.244
tors. eta vs tors. theta energy: -65.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -733.263666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.263666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.263666 (E_RNA)
where:
Base-Base interactions energy: -485.534
where: short stacking energy: -231.679
Base-Backbone interact. energy: -1.230
local terms energy: -246.499307
where:
bonds (distance) C4'-P energy: -49.695
bonds (distance) P-C4' energy: -42.238
flat angles C4'-P-C4' energy: -48.203
flat angles P-C4'-P energy: -40.471
tors. eta vs tors. theta energy: -65.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -712.479095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.479095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.479095 (E_RNA)
where:
Base-Base interactions energy: -481.206
where: short stacking energy: -212.405
Base-Backbone interact. energy: 0.608
local terms energy: -231.881181
where:
bonds (distance) C4'-P energy: -49.269
bonds (distance) P-C4' energy: -47.689
flat angles C4'-P-C4' energy: -42.612
flat angles P-C4'-P energy: -29.803
tors. eta vs tors. theta energy: -62.508
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: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -665.271145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.271145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.271145 (E_RNA)
where:
Base-Base interactions energy: -451.568
where: short stacking energy: -195.389
Base-Backbone interact. energy: -1.195
local terms energy: -212.507726
where:
bonds (distance) C4'-P energy: -42.566
bonds (distance) P-C4' energy: -49.309
flat angles C4'-P-C4' energy: -45.790
flat angles P-C4'-P energy: -33.297
tors. eta vs tors. theta energy: -41.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -624.654184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.654184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.654184 (E_RNA)
where:
Base-Base interactions energy: -412.804
where: short stacking energy: -189.861
Base-Backbone interact. energy: 2.196
local terms energy: -214.046757
where:
bonds (distance) C4'-P energy: -36.683
bonds (distance) P-C4' energy: -42.882
flat angles C4'-P-C4' energy: -53.066
flat angles P-C4'-P energy: -29.771
tors. eta vs tors. theta energy: -51.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -507.607643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.607643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.607643 (E_RNA)
where:
Base-Base interactions energy: -340.883
where: short stacking energy: -148.083
Base-Backbone interact. energy: 1.208
local terms energy: -167.932583
where:
bonds (distance) C4'-P energy: -32.658
bonds (distance) P-C4' energy: -41.766
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -32.187
tors. eta vs tors. theta energy: -30.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -401.279340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.279340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.279340 (E_RNA)
where:
Base-Base interactions energy: -235.330
where: short stacking energy: -116.173
Base-Backbone interact. energy: -0.520
local terms energy: -165.429334
where:
bonds (distance) C4'-P energy: -40.533
bonds (distance) P-C4' energy: -42.960
flat angles C4'-P-C4' energy: -40.480
flat angles P-C4'-P energy: -27.484
tors. eta vs tors. theta energy: -13.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -320.048165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.048165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.048165 (E_RNA)
where:
Base-Base interactions energy: -168.987
where: short stacking energy: -111.392
Base-Backbone interact. energy: -1.069
local terms energy: -149.991728
where:
bonds (distance) C4'-P energy: -31.074
bonds (distance) P-C4' energy: -43.865
flat angles C4'-P-C4' energy: -26.566
flat angles P-C4'-P energy: -27.149
tors. eta vs tors. theta energy: -21.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -843.300345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.300345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.300345 (E_RNA)
where:
Base-Base interactions energy: -589.383
where: short stacking energy: -234.762
Base-Backbone interact. energy: -0.740
local terms energy: -253.177424
where:
bonds (distance) C4'-P energy: -47.872
bonds (distance) P-C4' energy: -50.989
flat angles C4'-P-C4' energy: -57.542
flat angles P-C4'-P energy: -38.365
tors. eta vs tors. theta energy: -58.410
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: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -804.726652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.726652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.726652 (E_RNA)
where:
Base-Base interactions energy: -556.300
where: short stacking energy: -256.932
Base-Backbone interact. energy: -1.024
local terms energy: -247.402857
where:
bonds (distance) C4'-P energy: -43.591
bonds (distance) P-C4' energy: -41.331
flat angles C4'-P-C4' energy: -50.005
flat angles P-C4'-P energy: -33.516
tors. eta vs tors. theta energy: -78.959
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: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -793.190619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.190619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.190619 (E_RNA)
where:
Base-Base interactions energy: -568.453
where: short stacking energy: -214.292
Base-Backbone interact. energy: 2.024
local terms energy: -226.762226
where:
bonds (distance) C4'-P energy: -46.574
bonds (distance) P-C4' energy: -50.982
flat angles C4'-P-C4' energy: -48.994
flat angles P-C4'-P energy: -30.668
tors. eta vs tors. theta energy: -49.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -733.256225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.256225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.256225 (E_RNA)
where:
Base-Base interactions energy: -496.765
where: short stacking energy: -237.127
Base-Backbone interact. energy: -0.730
local terms energy: -235.761298
where:
bonds (distance) C4'-P energy: -41.753
bonds (distance) P-C4' energy: -45.914
flat angles C4'-P-C4' energy: -50.342
flat angles P-C4'-P energy: -33.910
tors. eta vs tors. theta energy: -63.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -729.852273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.852273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.852273 (E_RNA)
where:
Base-Base interactions energy: -491.542
where: short stacking energy: -235.775
Base-Backbone interact. energy: 0.577
local terms energy: -238.887372
where:
bonds (distance) C4'-P energy: -45.644
bonds (distance) P-C4' energy: -49.708
flat angles C4'-P-C4' energy: -52.185
flat angles P-C4'-P energy: -25.925
tors. eta vs tors. theta energy: -65.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -675.271031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.271031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.271031 (E_RNA)
where:
Base-Base interactions energy: -462.744
where: short stacking energy: -195.148
Base-Backbone interact. energy: -1.078
local terms energy: -211.449340
where:
bonds (distance) C4'-P energy: -45.088
bonds (distance) P-C4' energy: -45.049
flat angles C4'-P-C4' energy: -43.281
flat angles P-C4'-P energy: -31.766
tors. eta vs tors. theta energy: -46.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -594.786267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.786267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.786267 (E_RNA)
where:
Base-Base interactions energy: -405.500
where: short stacking energy: -176.220
Base-Backbone interact. energy: -1.154
local terms energy: -188.132206
where:
bonds (distance) C4'-P energy: -44.760
bonds (distance) P-C4' energy: -36.121
flat angles C4'-P-C4' energy: -38.602
flat angles P-C4'-P energy: -21.361
tors. eta vs tors. theta energy: -47.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -501.502548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.502548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.502548 (E_RNA)
where:
Base-Base interactions energy: -324.638
where: short stacking energy: -169.319
Base-Backbone interact. energy: -1.042
local terms energy: -175.822826
where:
bonds (distance) C4'-P energy: -29.155
bonds (distance) P-C4' energy: -34.206
flat angles C4'-P-C4' energy: -47.259
flat angles P-C4'-P energy: -29.766
tors. eta vs tors. theta energy: -35.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -462.702435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.702435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.702435 (E_RNA)
where:
Base-Base interactions energy: -298.099
where: short stacking energy: -149.617
Base-Backbone interact. energy: -1.643
local terms energy: -162.960221
where:
bonds (distance) C4'-P energy: -42.943
bonds (distance) P-C4' energy: -41.656
flat angles C4'-P-C4' energy: -33.768
flat angles P-C4'-P energy: -21.427
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -260.852853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.852853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.852853 (E_RNA)
where:
Base-Base interactions energy: -113.872
where: short stacking energy: -84.198
Base-Backbone interact. energy: 3.561
local terms energy: -150.541728
where:
bonds (distance) C4'-P energy: -46.538
bonds (distance) P-C4' energy: -41.693
flat angles C4'-P-C4' energy: -34.304
flat angles P-C4'-P energy: -22.690
tors. eta vs tors. theta energy: -5.317
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: 206
Temperature: 0.900000
Total energy: -843.400896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.400896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.400896 (E_RNA)
where:
Base-Base interactions energy: -602.698
where: short stacking energy: -238.169
Base-Backbone interact. energy: -1.117
local terms energy: -239.585333
where:
bonds (distance) C4'-P energy: -50.709
bonds (distance) P-C4' energy: -44.952
flat angles C4'-P-C4' energy: -49.229
flat angles P-C4'-P energy: -34.378
tors. eta vs tors. theta energy: -60.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -791.992812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.992812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.992812 (E_RNA)
where:
Base-Base interactions energy: -543.094
where: short stacking energy: -232.471
Base-Backbone interact. energy: 1.355
local terms energy: -250.254272
where:
bonds (distance) C4'-P energy: -46.677
bonds (distance) P-C4' energy: -55.196
flat angles C4'-P-C4' energy: -47.276
flat angles P-C4'-P energy: -36.851
tors. eta vs tors. theta energy: -64.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -771.766303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.766303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.766303 (E_RNA)
where:
Base-Base interactions energy: -510.131
where: short stacking energy: -232.123
Base-Backbone interact. energy: 2.009
local terms energy: -263.644258
where:
bonds (distance) C4'-P energy: -48.081
bonds (distance) P-C4' energy: -52.617
flat angles C4'-P-C4' energy: -54.441
flat angles P-C4'-P energy: -35.847
tors. eta vs tors. theta energy: -72.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -769.438478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.438478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.438478 (E_RNA)
where:
Base-Base interactions energy: -551.103
where: short stacking energy: -200.223
Base-Backbone interact. energy: -1.596
local terms energy: -216.739251
where:
bonds (distance) C4'-P energy: -40.189
bonds (distance) P-C4' energy: -44.542
flat angles C4'-P-C4' energy: -49.587
flat angles P-C4'-P energy: -35.470
tors. eta vs tors. theta energy: -46.952
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: 206
Temperature: 1.100000
Total energy: -718.824845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.824845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.824845 (E_RNA)
where:
Base-Base interactions energy: -484.463
where: short stacking energy: -238.649
Base-Backbone interact. energy: 0.086
local terms energy: -234.448013
where:
bonds (distance) C4'-P energy: -39.448
bonds (distance) P-C4' energy: -34.969
flat angles C4'-P-C4' energy: -51.122
flat angles P-C4'-P energy: -36.360
tors. eta vs tors. theta energy: -72.550
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: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -671.044599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.044599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.044599 (E_RNA)
where:
Base-Base interactions energy: -444.539
where: short stacking energy: -190.071
Base-Backbone interact. energy: -1.941
local terms energy: -224.564681
where:
bonds (distance) C4'-P energy: -49.197
bonds (distance) P-C4' energy: -42.984
flat angles C4'-P-C4' energy: -44.570
flat angles P-C4'-P energy: -36.250
tors. eta vs tors. theta energy: -51.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -582.564727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.564727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.564727 (E_RNA)
where:
Base-Base interactions energy: -381.391
where: short stacking energy: -143.258
Base-Backbone interact. energy: -1.751
local terms energy: -199.423118
where:
bonds (distance) C4'-P energy: -46.001
bonds (distance) P-C4' energy: -45.426
flat angles C4'-P-C4' energy: -44.845
flat angles P-C4'-P energy: -33.592
tors. eta vs tors. theta energy: -29.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -490.263884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.263884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.263884 (E_RNA)
where:
Base-Base interactions energy: -314.641
where: short stacking energy: -156.877
Base-Backbone interact. energy: 0.408
local terms energy: -176.030845
where:
bonds (distance) C4'-P energy: -33.676
bonds (distance) P-C4' energy: -37.906
flat angles C4'-P-C4' energy: -39.222
flat angles P-C4'-P energy: -20.728
tors. eta vs tors. theta energy: -44.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -446.153744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.153744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.153744 (E_RNA)
where:
Base-Base interactions energy: -267.199
where: short stacking energy: -135.761
Base-Backbone interact. energy: -0.969
local terms energy: -177.985094
where:
bonds (distance) C4'-P energy: -44.466
bonds (distance) P-C4' energy: -44.154
flat angles C4'-P-C4' energy: -42.577
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -23.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -258.595874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.595874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.595874 (E_RNA)
where:
Base-Base interactions energy: -116.982
where: short stacking energy: -73.944
Base-Backbone interact. energy: -0.831
local terms energy: -140.782900
where:
bonds (distance) C4'-P energy: -30.517
bonds (distance) P-C4' energy: -31.327
flat angles C4'-P-C4' energy: -44.760
flat angles P-C4'-P energy: -31.327
tors. eta vs tors. theta energy: -2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -845.664218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.664218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.664218 (E_RNA)
where:
Base-Base interactions energy: -603.254
where: short stacking energy: -243.980
Base-Backbone interact. energy: 0.078
local terms energy: -242.487806
where:
bonds (distance) C4'-P energy: -43.543
bonds (distance) P-C4' energy: -51.231
flat angles C4'-P-C4' energy: -52.291
flat angles P-C4'-P energy: -35.376
tors. eta vs tors. theta energy: -60.046
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: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -812.729254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.729254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.729254 (E_RNA)
where:
Base-Base interactions energy: -558.277
where: short stacking energy: -250.597
Base-Backbone interact. energy: 0.132
local terms energy: -254.584844
where:
bonds (distance) C4'-P energy: -47.086
bonds (distance) P-C4' energy: -45.462
flat angles C4'-P-C4' energy: -46.500
flat angles P-C4'-P energy: -40.302
tors. eta vs tors. theta energy: -75.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -728.422516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.422516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.422516 (E_RNA)
where:
Base-Base interactions energy: -495.830
where: short stacking energy: -223.295
Base-Backbone interact. energy: 0.935
local terms energy: -233.527756
where:
bonds (distance) C4'-P energy: -34.013
bonds (distance) P-C4' energy: -49.458
flat angles C4'-P-C4' energy: -52.510
flat angles P-C4'-P energy: -34.853
tors. eta vs tors. theta energy: -62.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -804.961173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.961173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.961173 (E_RNA)
where:
Base-Base interactions energy: -579.854
where: short stacking energy: -219.428
Base-Backbone interact. energy: 0.882
local terms energy: -225.989326
where:
bonds (distance) C4'-P energy: -44.318
bonds (distance) P-C4' energy: -48.418
flat angles C4'-P-C4' energy: -58.326
flat angles P-C4'-P energy: -23.098
tors. eta vs tors. theta energy: -51.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -706.876531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.876531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.876531 (E_RNA)
where:
Base-Base interactions energy: -470.075
where: short stacking energy: -207.636
Base-Backbone interact. energy: 1.735
local terms energy: -238.536588
where:
bonds (distance) C4'-P energy: -41.982
bonds (distance) P-C4' energy: -47.536
flat angles C4'-P-C4' energy: -49.767
flat angles P-C4'-P energy: -36.917
tors. eta vs tors. theta energy: -62.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -635.004084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.004084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.004084 (E_RNA)
where:
Base-Base interactions energy: -429.358
where: short stacking energy: -177.553
Base-Backbone interact. energy: -0.474
local terms energy: -205.172832
where:
bonds (distance) C4'-P energy: -37.951
bonds (distance) P-C4' energy: -40.636
flat angles C4'-P-C4' energy: -44.977
flat angles P-C4'-P energy: -38.472
tors. eta vs tors. theta energy: -43.137
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: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -602.574434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.574434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.574434 (E_RNA)
where:
Base-Base interactions energy: -404.240
where: short stacking energy: -183.922
Base-Backbone interact. energy: -0.571
local terms energy: -197.764036
where:
bonds (distance) C4'-P energy: -42.111
bonds (distance) P-C4' energy: -38.861
flat angles C4'-P-C4' energy: -52.389
flat angles P-C4'-P energy: -22.122
tors. eta vs tors. theta energy: -42.281
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: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -519.290521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.290521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.290521 (E_RNA)
where:
Base-Base interactions energy: -338.281
where: short stacking energy: -146.042
Base-Backbone interact. energy: -1.402
local terms energy: -179.607700
where:
bonds (distance) C4'-P energy: -35.046
bonds (distance) P-C4' energy: -39.993
flat angles C4'-P-C4' energy: -41.660
flat angles P-C4'-P energy: -27.141
tors. eta vs tors. theta energy: -35.768
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: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -416.988635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.988635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.988635 (E_RNA)
where:
Base-Base interactions energy: -249.582
where: short stacking energy: -132.536
Base-Backbone interact. energy: -0.731
local terms energy: -166.675788
where:
bonds (distance) C4'-P energy: -36.160
bonds (distance) P-C4' energy: -40.273
flat angles C4'-P-C4' energy: -37.981
flat angles P-C4'-P energy: -20.115
tors. eta vs tors. theta energy: -32.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -208.990422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.990422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.990422 (E_RNA)
where:
Base-Base interactions energy: -63.420
where: short stacking energy: -43.768
Base-Backbone interact. energy: -1.895
local terms energy: -143.675401
where:
bonds (distance) C4'-P energy: -46.458
bonds (distance) P-C4' energy: -46.227
flat angles C4'-P-C4' energy: -36.404
flat angles P-C4'-P energy: -22.205
tors. eta vs tors. theta energy: 7.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -831.249765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.249765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.249765 (E_RNA)
where:
Base-Base interactions energy: -576.125
where: short stacking energy: -264.927
Base-Backbone interact. energy: -0.102
local terms energy: -255.023543
where:
bonds (distance) C4'-P energy: -42.747
bonds (distance) P-C4' energy: -44.675
flat angles C4'-P-C4' energy: -52.012
flat angles P-C4'-P energy: -36.138
tors. eta vs tors. theta energy: -79.452
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: 2, replica: 10
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -839.934418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.934418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.934418 (E_RNA)
where:
Base-Base interactions energy: -591.168
where: short stacking energy: -236.137
Base-Backbone interact. energy: -1.209
local terms energy: -247.556775
where:
bonds (distance) C4'-P energy: -31.416
bonds (distance) P-C4' energy: -54.223
flat angles C4'-P-C4' energy: -57.228
flat angles P-C4'-P energy: -42.922
tors. eta vs tors. theta energy: -61.768
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: 3, replica: 4
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -817.621462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.621462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.621462 (E_RNA)
where:
Base-Base interactions energy: -582.764
where: short stacking energy: -227.341
Base-Backbone interact. energy: -2.375
local terms energy: -232.482598
where:
bonds (distance) C4'-P energy: -48.572
bonds (distance) P-C4' energy: -51.928
flat angles C4'-P-C4' energy: -47.379
flat angles P-C4'-P energy: -27.919
tors. eta vs tors. theta energy: -56.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -761.402148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.402148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.402148 (E_RNA)
where:
Base-Base interactions energy: -508.183
where: short stacking energy: -222.239
Base-Backbone interact. energy: -1.671
local terms energy: -251.548582
where:
bonds (distance) C4'-P energy: -47.860
bonds (distance) P-C4' energy: -55.343
flat angles C4'-P-C4' energy: -49.877
flat angles P-C4'-P energy: -36.212
tors. eta vs tors. theta energy: -62.257
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: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -735.725500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.725500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.725500 (E_RNA)
where:
Base-Base interactions energy: -493.147
where: short stacking energy: -237.774
Base-Backbone interact. energy: 0.759
local terms energy: -243.338040
where:
bonds (distance) C4'-P energy: -30.616
bonds (distance) P-C4' energy: -41.054
flat angles C4'-P-C4' energy: -52.072
flat angles P-C4'-P energy: -42.264
tors. eta vs tors. theta energy: -77.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -624.045120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.045120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.045120 (E_RNA)
where:
Base-Base interactions energy: -432.223
where: short stacking energy: -179.540
Base-Backbone interact. energy: -0.773
local terms energy: -191.049191
where:
bonds (distance) C4'-P energy: -45.305
bonds (distance) P-C4' energy: -27.775
flat angles C4'-P-C4' energy: -49.587
flat angles P-C4'-P energy: -25.074
tors. eta vs tors. theta energy: -43.308
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: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -587.450827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.450827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.450827 (E_RNA)
where:
Base-Base interactions energy: -399.167
where: short stacking energy: -179.719
Base-Backbone interact. energy: -0.312
local terms energy: -187.971803
where:
bonds (distance) C4'-P energy: -34.466
bonds (distance) P-C4' energy: -40.383
flat angles C4'-P-C4' energy: -47.572
flat angles P-C4'-P energy: -28.695
tors. eta vs tors. theta energy: -36.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -488.375507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.375507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.375507 (E_RNA)
where:
Base-Base interactions energy: -311.481
where: short stacking energy: -135.987
Base-Backbone interact. energy: -0.676
local terms energy: -176.219254
where:
bonds (distance) C4'-P energy: -40.050
bonds (distance) P-C4' energy: -45.806
flat angles C4'-P-C4' energy: -39.374
flat angles P-C4'-P energy: -23.014
tors. eta vs tors. theta energy: -27.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -409.188311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.188311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.188311 (E_RNA)
where:
Base-Base interactions energy: -242.158
where: short stacking energy: -119.446
Base-Backbone interact. energy: -0.293
local terms energy: -166.737196
where:
bonds (distance) C4'-P energy: -38.288
bonds (distance) P-C4' energy: -37.395
flat angles C4'-P-C4' energy: -42.347
flat angles P-C4'-P energy: -26.262
tors. eta vs tors. theta energy: -22.446
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: 208
Temperature: 1.350000
Total energy: -218.962292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.962292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.962292 (E_RNA)
where:
Base-Base interactions energy: -83.891
where: short stacking energy: -62.736
Base-Backbone interact. energy: 2.280
local terms energy: -137.351523
where:
bonds (distance) C4'-P energy: -43.626
bonds (distance) P-C4' energy: -33.888
flat angles C4'-P-C4' energy: -31.247
flat angles P-C4'-P energy: -19.428
tors. eta vs tors. theta energy: -9.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -839.764764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.764764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.764764 (E_RNA)
where:
Base-Base interactions energy: -573.445
where: short stacking energy: -261.341
Base-Backbone interact. energy: -0.150
local terms energy: -266.169742
where:
bonds (distance) C4'-P energy: -51.073
bonds (distance) P-C4' energy: -45.156
flat angles C4'-P-C4' energy: -58.571
flat angles P-C4'-P energy: -35.981
tors. eta vs tors. theta energy: -75.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -826.419983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.419983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.419983 (E_RNA)
where:
Base-Base interactions energy: -595.380
where: short stacking energy: -235.802
Base-Backbone interact. energy: -2.202
local terms energy: -228.838580
where:
bonds (distance) C4'-P energy: -48.137
bonds (distance) P-C4' energy: -45.244
flat angles C4'-P-C4' energy: -49.593
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -59.471
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: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -817.427828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.427828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.427828 (E_RNA)
where:
Base-Base interactions energy: -573.344
where: short stacking energy: -233.889
Base-Backbone interact. energy: -1.976
local terms energy: -242.107212
where:
bonds (distance) C4'-P energy: -47.249
bonds (distance) P-C4' energy: -42.267
flat angles C4'-P-C4' energy: -51.924
flat angles P-C4'-P energy: -36.434
tors. eta vs tors. theta energy: -64.233
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: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -761.674704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.674704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.674704 (E_RNA)
where:
Base-Base interactions energy: -517.159
where: short stacking energy: -240.092
Base-Backbone interact. energy: -1.790
local terms energy: -242.726079
where:
bonds (distance) C4'-P energy: -46.174
bonds (distance) P-C4' energy: -46.813
flat angles C4'-P-C4' energy: -45.918
flat angles P-C4'-P energy: -35.905
tors. eta vs tors. theta energy: -67.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -719.797287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.797287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.797287 (E_RNA)
where:
Base-Base interactions energy: -475.873
where: short stacking energy: -218.690
Base-Backbone interact. energy: -0.592
local terms energy: -243.332227
where:
bonds (distance) C4'-P energy: -40.417
bonds (distance) P-C4' energy: -39.557
flat angles C4'-P-C4' energy: -51.042
flat angles P-C4'-P energy: -39.686
tors. eta vs tors. theta energy: -72.630
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: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -640.263911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.263911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.263911 (E_RNA)
where:
Base-Base interactions energy: -428.177
where: short stacking energy: -191.894
Base-Backbone interact. energy: -0.470
local terms energy: -211.616960
where:
bonds (distance) C4'-P energy: -44.559
bonds (distance) P-C4' energy: -41.694
flat angles C4'-P-C4' energy: -48.530
flat angles P-C4'-P energy: -27.410
tors. eta vs tors. theta energy: -49.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -610.991508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.991508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.991508 (E_RNA)
where:
Base-Base interactions energy: -413.024
where: short stacking energy: -185.734
Base-Backbone interact. energy: 0.110
local terms energy: -198.077639
where:
bonds (distance) C4'-P energy: -31.019
bonds (distance) P-C4' energy: -46.831
flat angles C4'-P-C4' energy: -44.398
flat angles P-C4'-P energy: -31.434
tors. eta vs tors. theta energy: -44.396
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: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -479.805029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.805029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.805029 (E_RNA)
where:
Base-Base interactions energy: -300.034
where: short stacking energy: -135.759
Base-Backbone interact. energy: 0.112
local terms energy: -179.882455
where:
bonds (distance) C4'-P energy: -44.410
bonds (distance) P-C4' energy: -47.821
flat angles C4'-P-C4' energy: -40.324
flat angles P-C4'-P energy: -27.940
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -426.697632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.697632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.697632 (E_RNA)
where:
Base-Base interactions energy: -272.009
where: short stacking energy: -127.153
Base-Backbone interact. energy: -0.584
local terms energy: -154.104491
where:
bonds (distance) C4'-P energy: -33.007
bonds (distance) P-C4' energy: -47.497
flat angles C4'-P-C4' energy: -31.460
flat angles P-C4'-P energy: -20.074
tors. eta vs tors. theta energy: -22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -205.921911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.921911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.921911 (E_RNA)
where:
Base-Base interactions energy: -73.405
where: short stacking energy: -68.071
Base-Backbone interact. energy: -0.858
local terms energy: -131.658616
where:
bonds (distance) C4'-P energy: -25.296
bonds (distance) P-C4' energy: -47.863
flat angles C4'-P-C4' energy: -38.446
flat angles P-C4'-P energy: -24.090
tors. eta vs tors. theta energy: 4.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -842.834298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.834298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.834298 (E_RNA)
where:
Base-Base interactions energy: -603.677
where: short stacking energy: -235.458
Base-Backbone interact. energy: -1.403
local terms energy: -237.755010
where:
bonds (distance) C4'-P energy: -45.695
bonds (distance) P-C4' energy: -50.464
flat angles C4'-P-C4' energy: -53.059
flat angles P-C4'-P energy: -34.155
tors. eta vs tors. theta energy: -54.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -830.230667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.230667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.230667 (E_RNA)
where:
Base-Base interactions energy: -571.253
where: short stacking energy: -250.883
Base-Backbone interact. energy: -0.223
local terms energy: -258.754355
where:
bonds (distance) C4'-P energy: -46.942
bonds (distance) P-C4' energy: -42.002
flat angles C4'-P-C4' energy: -54.364
flat angles P-C4'-P energy: -39.863
tors. eta vs tors. theta energy: -75.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -803.633454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.633454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.633454 (E_RNA)
where:
Base-Base interactions energy: -565.917
where: short stacking energy: -230.061
Base-Backbone interact. energy: -0.058
local terms energy: -237.658070
where:
bonds (distance) C4'-P energy: -44.429
bonds (distance) P-C4' energy: -48.509
flat angles C4'-P-C4' energy: -43.655
flat angles P-C4'-P energy: -42.196
tors. eta vs tors. theta energy: -58.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -757.141142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.141142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.141142 (E_RNA)
where:
Base-Base interactions energy: -524.111
where: short stacking energy: -244.352
Base-Backbone interact. energy: -0.551
local terms energy: -232.479274
where:
bonds (distance) C4'-P energy: -43.243
bonds (distance) P-C4' energy: -38.092
flat angles C4'-P-C4' energy: -50.151
flat angles P-C4'-P energy: -32.052
tors. eta vs tors. theta energy: -68.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -728.688811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.688811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.688811 (E_RNA)
where:
Base-Base interactions energy: -488.861
where: short stacking energy: -233.328
Base-Backbone interact. energy: 1.435
local terms energy: -241.262142
where:
bonds (distance) C4'-P energy: -41.252
bonds (distance) P-C4' energy: -38.216
flat angles C4'-P-C4' energy: -53.719
flat angles P-C4'-P energy: -38.148
tors. eta vs tors. theta energy: -69.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -647.190072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.190072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.190072 (E_RNA)
where:
Base-Base interactions energy: -436.064
where: short stacking energy: -196.579
Base-Backbone interact. energy: -0.724
local terms energy: -210.402322
where:
bonds (distance) C4'-P energy: -37.974
bonds (distance) P-C4' energy: -47.198
flat angles C4'-P-C4' energy: -46.953
flat angles P-C4'-P energy: -32.504
tors. eta vs tors. theta energy: -45.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -626.790731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.790731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.790731 (E_RNA)
where:
Base-Base interactions energy: -406.620
where: short stacking energy: -189.595
Base-Backbone interact. energy: -0.913
local terms energy: -219.257775
where:
bonds (distance) C4'-P energy: -45.395
bonds (distance) P-C4' energy: -38.025
flat angles C4'-P-C4' energy: -54.826
flat angles P-C4'-P energy: -30.061
tors. eta vs tors. theta energy: -50.950
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: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -469.720001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.720001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.720001 (E_RNA)
where:
Base-Base interactions energy: -288.359
where: short stacking energy: -145.845
Base-Backbone interact. energy: -0.927
local terms energy: -180.433358
where:
bonds (distance) C4'-P energy: -38.755
bonds (distance) P-C4' energy: -38.148
flat angles C4'-P-C4' energy: -43.456
flat angles P-C4'-P energy: -28.632
tors. eta vs tors. theta energy: -31.442
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: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -433.901017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.901017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.901017 (E_RNA)
where:
Base-Base interactions energy: -265.409
where: short stacking energy: -147.539
Base-Backbone interact. energy: -1.676
local terms energy: -166.816334
where:
bonds (distance) C4'-P energy: -38.948
bonds (distance) P-C4' energy: -38.442
flat angles C4'-P-C4' energy: -38.841
flat angles P-C4'-P energy: -21.002
tors. eta vs tors. theta energy: -29.584
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: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -205.279609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.279609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.279609 (E_RNA)
where:
Base-Base interactions energy: -65.603
where: short stacking energy: -61.656
Base-Backbone interact. energy: 1.254
local terms energy: -140.930816
where:
bonds (distance) C4'-P energy: -39.122
bonds (distance) P-C4' energy: -46.937
flat angles C4'-P-C4' energy: -27.846
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -853.059488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.059488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.059488 (E_RNA)
where:
Base-Base interactions energy: -605.429
where: short stacking energy: -248.512
Base-Backbone interact. energy: -1.708
local terms energy: -245.922139
where:
bonds (distance) C4'-P energy: -46.864
bonds (distance) P-C4' energy: -42.483
flat angles C4'-P-C4' energy: -56.973
flat angles P-C4'-P energy: -31.528
tors. eta vs tors. theta energy: -68.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -832.415499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.415499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.415499 (E_RNA)
where:
Base-Base interactions energy: -566.489
where: short stacking energy: -245.735
Base-Backbone interact. energy: -1.435
local terms energy: -264.491411
where:
bonds (distance) C4'-P energy: -48.414
bonds (distance) P-C4' energy: -47.422
flat angles C4'-P-C4' energy: -59.590
flat angles P-C4'-P energy: -40.403
tors. eta vs tors. theta energy: -68.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -806.566018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.566018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.566018 (E_RNA)
where:
Base-Base interactions energy: -566.150
where: short stacking energy: -226.821
Base-Backbone interact. energy: 1.044
local terms energy: -241.460228
where:
bonds (distance) C4'-P energy: -42.284
bonds (distance) P-C4' energy: -54.025
flat angles C4'-P-C4' energy: -57.311
flat angles P-C4'-P energy: -32.120
tors. eta vs tors. theta energy: -55.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -760.427901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.427901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.427901 (E_RNA)
where:
Base-Base interactions energy: -515.882
where: short stacking energy: -218.918
Base-Backbone interact. energy: -0.458
local terms energy: -244.087801
where:
bonds (distance) C4'-P energy: -43.638
bonds (distance) P-C4' energy: -54.232
flat angles C4'-P-C4' energy: -47.749
flat angles P-C4'-P energy: -36.317
tors. eta vs tors. theta energy: -62.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -727.839103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.839103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.839103 (E_RNA)
where:
Base-Base interactions energy: -486.537
where: short stacking energy: -219.863
Base-Backbone interact. energy: -0.335
local terms energy: -240.967335
where:
bonds (distance) C4'-P energy: -41.431
bonds (distance) P-C4' energy: -42.796
flat angles C4'-P-C4' energy: -54.599
flat angles P-C4'-P energy: -30.747
tors. eta vs tors. theta energy: -71.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -657.303616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.303616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.303616 (E_RNA)
where:
Base-Base interactions energy: -450.550
where: short stacking energy: -195.693
Base-Backbone interact. energy: -2.570
local terms energy: -204.183145
where:
bonds (distance) C4'-P energy: -48.268
bonds (distance) P-C4' energy: -40.914
flat angles C4'-P-C4' energy: -46.596
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: -47.890
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: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -656.956866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.956866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.956866 (E_RNA)
where:
Base-Base interactions energy: -425.397
where: short stacking energy: -194.043
Base-Backbone interact. energy: -2.780
local terms energy: -228.780197
where:
bonds (distance) C4'-P energy: -42.702
bonds (distance) P-C4' energy: -46.309
flat angles C4'-P-C4' energy: -50.610
flat angles P-C4'-P energy: -35.188
tors. eta vs tors. theta energy: -53.971
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: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -470.740334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.740334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.740334 (E_RNA)
where:
Base-Base interactions energy: -289.272
where: short stacking energy: -158.581
Base-Backbone interact. energy: -0.690
local terms energy: -180.778847
where:
bonds (distance) C4'-P energy: -40.110
bonds (distance) P-C4' energy: -38.613
flat angles C4'-P-C4' energy: -39.715
flat angles P-C4'-P energy: -28.175
tors. eta vs tors. theta energy: -34.167
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: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -410.941390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.941390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.941390 (E_RNA)
where:
Base-Base interactions energy: -235.048
where: short stacking energy: -116.216
Base-Backbone interact. energy: -1.148
local terms energy: -174.745027
where:
bonds (distance) C4'-P energy: -47.280
bonds (distance) P-C4' energy: -47.966
flat angles C4'-P-C4' energy: -40.229
flat angles P-C4'-P energy: -20.311
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -220.340667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.340667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.340667 (E_RNA)
where:
Base-Base interactions energy: -81.957
where: short stacking energy: -63.495
Base-Backbone interact. energy: -1.008
local terms energy: -137.374996
where:
bonds (distance) C4'-P energy: -45.478
bonds (distance) P-C4' energy: -36.788
flat angles C4'-P-C4' energy: -40.078
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: 0.366
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: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -853.740022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.740022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.740022 (E_RNA)
where:
Base-Base interactions energy: -598.357
where: short stacking energy: -230.983
Base-Backbone interact. energy: -1.413
local terms energy: -253.970661
where:
bonds (distance) C4'-P energy: -51.051
bonds (distance) P-C4' energy: -51.997
flat angles C4'-P-C4' energy: -47.235
flat angles P-C4'-P energy: -40.068
tors. eta vs tors. theta energy: -63.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -830.980914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.980914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.980914 (E_RNA)
where:
Base-Base interactions energy: -573.731
where: short stacking energy: -253.585
Base-Backbone interact. energy: -0.775
local terms energy: -256.475054
where:
bonds (distance) C4'-P energy: -33.555
bonds (distance) P-C4' energy: -54.915
flat angles C4'-P-C4' energy: -51.028
flat angles P-C4'-P energy: -42.045
tors. eta vs tors. theta energy: -74.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -804.469795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.469795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.469795 (E_RNA)
where:
Base-Base interactions energy: -541.050
where: short stacking energy: -243.787
Base-Backbone interact. energy: -1.613
local terms energy: -261.806525
where:
bonds (distance) C4'-P energy: -43.229
bonds (distance) P-C4' energy: -40.937
flat angles C4'-P-C4' energy: -58.058
flat angles P-C4'-P energy: -43.859
tors. eta vs tors. theta energy: -75.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -805.584396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.584396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.584396 (E_RNA)
where:
Base-Base interactions energy: -555.824
where: short stacking energy: -228.708
Base-Backbone interact. energy: 1.533
local terms energy: -251.293095
where:
bonds (distance) C4'-P energy: -53.154
bonds (distance) P-C4' energy: -51.211
flat angles C4'-P-C4' energy: -51.881
flat angles P-C4'-P energy: -35.425
tors. eta vs tors. theta energy: -59.621
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: 6
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -733.309865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.309865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.309865 (E_RNA)
where:
Base-Base interactions energy: -503.779
where: short stacking energy: -227.750
Base-Backbone interact. energy: -0.619
local terms energy: -228.912617
where:
bonds (distance) C4'-P energy: -37.894
bonds (distance) P-C4' energy: -41.908
flat angles C4'-P-C4' energy: -52.825
flat angles P-C4'-P energy: -32.828
tors. eta vs tors. theta energy: -63.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -636.461385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.461385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.461385 (E_RNA)
where:
Base-Base interactions energy: -441.486
where: short stacking energy: -197.314
Base-Backbone interact. energy: -0.820
local terms energy: -194.154511
where:
bonds (distance) C4'-P energy: -31.500
bonds (distance) P-C4' energy: -44.534
flat angles C4'-P-C4' energy: -39.147
flat angles P-C4'-P energy: -30.016
tors. eta vs tors. theta energy: -48.958
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: 7, replica: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -635.629903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.629903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.629903 (E_RNA)
where:
Base-Base interactions energy: -429.335
where: short stacking energy: -188.067
Base-Backbone interact. energy: -0.580
local terms energy: -205.715343
where:
bonds (distance) C4'-P energy: -46.552
bonds (distance) P-C4' energy: -39.530
flat angles C4'-P-C4' energy: -45.489
flat angles P-C4'-P energy: -24.521
tors. eta vs tors. theta energy: -49.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -459.387045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.387045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.387045 (E_RNA)
where:
Base-Base interactions energy: -271.595
where: short stacking energy: -126.239
Base-Backbone interact. energy: -0.419
local terms energy: -187.373035
where:
bonds (distance) C4'-P energy: -47.248
bonds (distance) P-C4' energy: -37.395
flat angles C4'-P-C4' energy: -45.375
flat angles P-C4'-P energy: -29.406
tors. eta vs tors. theta energy: -27.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -407.607805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.607805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.607805 (E_RNA)
where:
Base-Base interactions energy: -226.735
where: short stacking energy: -119.372
Base-Backbone interact. energy: -1.896
local terms energy: -178.977030
where:
bonds (distance) C4'-P energy: -46.789
bonds (distance) P-C4' energy: -45.152
flat angles C4'-P-C4' energy: -38.756
flat angles P-C4'-P energy: -26.379
tors. eta vs tors. theta energy: -21.901
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: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -223.704673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.704673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.704673 (E_RNA)
where:
Base-Base interactions energy: -78.617
where: short stacking energy: -72.991
Base-Backbone interact. energy: 0.548
local terms energy: -145.635457
where:
bonds (distance) C4'-P energy: -39.365
bonds (distance) P-C4' energy: -39.176
flat angles C4'-P-C4' energy: -42.883
flat angles P-C4'-P energy: -23.534
tors. eta vs tors. theta energy: -0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -846.440649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.440649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.440649 (E_RNA)
where:
Base-Base interactions energy: -601.474
where: short stacking energy: -241.992
Base-Backbone interact. energy: -1.060
local terms energy: -243.906879
where:
bonds (distance) C4'-P energy: -51.723
bonds (distance) P-C4' energy: -44.590
flat angles C4'-P-C4' energy: -51.424
flat angles P-C4'-P energy: -33.317
tors. eta vs tors. theta energy: -62.853
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: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -835.164808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.164808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.164808 (E_RNA)
where:
Base-Base interactions energy: -580.875
where: short stacking energy: -251.164
Base-Backbone interact. energy: -0.046
local terms energy: -254.244206
where:
bonds (distance) C4'-P energy: -38.910
bonds (distance) P-C4' energy: -52.198
flat angles C4'-P-C4' energy: -57.866
flat angles P-C4'-P energy: -39.527
tors. eta vs tors. theta energy: -65.743
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: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -810.526951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.526951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.526951 (E_RNA)
where:
Base-Base interactions energy: -565.585
where: short stacking energy: -247.011
Base-Backbone interact. energy: -1.147
local terms energy: -243.795498
where:
bonds (distance) C4'-P energy: -35.425
bonds (distance) P-C4' energy: -43.354
flat angles C4'-P-C4' energy: -50.267
flat angles P-C4'-P energy: -38.491
tors. eta vs tors. theta energy: -76.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -803.272972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.272972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.272972 (E_RNA)
where:
Base-Base interactions energy: -554.977
where: short stacking energy: -235.017
Base-Backbone interact. energy: -1.601
local terms energy: -246.694181
where:
bonds (distance) C4'-P energy: -52.093
bonds (distance) P-C4' energy: -47.286
flat angles C4'-P-C4' energy: -52.428
flat angles P-C4'-P energy: -30.364
tors. eta vs tors. theta energy: -64.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -698.485946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.485946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.485946 (E_RNA)
where:
Base-Base interactions energy: -467.285
where: short stacking energy: -205.434
Base-Backbone interact. energy: -0.374
local terms energy: -230.826423
where:
bonds (distance) C4'-P energy: -48.159
bonds (distance) P-C4' energy: -46.566
flat angles C4'-P-C4' energy: -52.532
flat angles P-C4'-P energy: -35.173
tors. eta vs tors. theta energy: -48.397
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: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -698.345653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.345653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.345653 (E_RNA)
where:
Base-Base interactions energy: -457.282
where: short stacking energy: -194.147
Base-Backbone interact. energy: -1.599
local terms energy: -239.464820
where:
bonds (distance) C4'-P energy: -51.841
bonds (distance) P-C4' energy: -47.797
flat angles C4'-P-C4' energy: -51.663
flat angles P-C4'-P energy: -34.356
tors. eta vs tors. theta energy: -53.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -597.247707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.247707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.247707 (E_RNA)
where:
Base-Base interactions energy: -410.474
where: short stacking energy: -154.073
Base-Backbone interact. energy: 0.533
local terms energy: -187.307328
where:
bonds (distance) C4'-P energy: -39.856
bonds (distance) P-C4' energy: -38.603
flat angles C4'-P-C4' energy: -46.001
flat angles P-C4'-P energy: -31.059
tors. eta vs tors. theta energy: -31.788
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: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -483.376762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.376762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.376762 (E_RNA)
where:
Base-Base interactions energy: -291.656
where: short stacking energy: -140.434
Base-Backbone interact. energy: -0.774
local terms energy: -190.946983
where:
bonds (distance) C4'-P energy: -44.047
bonds (distance) P-C4' energy: -39.245
flat angles C4'-P-C4' energy: -42.759
flat angles P-C4'-P energy: -36.597
tors. eta vs tors. theta energy: -28.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -427.469453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.469453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.469453 (E_RNA)
where:
Base-Base interactions energy: -252.154
where: short stacking energy: -139.087
Base-Backbone interact. energy: -0.746
local terms energy: -174.569380
where:
bonds (distance) C4'-P energy: -30.794
bonds (distance) P-C4' energy: -49.925
flat angles C4'-P-C4' energy: -37.452
flat angles P-C4'-P energy: -21.167
tors. eta vs tors. theta energy: -35.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -228.865773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.865773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.865773 (E_RNA)
where:
Base-Base interactions energy: -85.666
where: short stacking energy: -76.300
Base-Backbone interact. energy: -0.650
local terms energy: -142.550389
where:
bonds (distance) C4'-P energy: -41.989
bonds (distance) P-C4' energy: -47.628
flat angles C4'-P-C4' energy: -32.416
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -863.226199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.226199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.226199 (E_RNA)
where:
Base-Base interactions energy: -631.632
where: short stacking energy: -253.193
Base-Backbone interact. energy: 0.418
local terms energy: -232.012112
where:
bonds (distance) C4'-P energy: -38.365
bonds (distance) P-C4' energy: -41.174
flat angles C4'-P-C4' energy: -49.659
flat angles P-C4'-P energy: -36.191
tors. eta vs tors. theta energy: -66.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -824.190711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.190711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.190711 (E_RNA)
where:
Base-Base interactions energy: -564.031
where: short stacking energy: -244.895
Base-Backbone interact. energy: -0.700
local terms energy: -259.459663
where:
bonds (distance) C4'-P energy: -48.726
bonds (distance) P-C4' energy: -42.608
flat angles C4'-P-C4' energy: -56.220
flat angles P-C4'-P energy: -38.421
tors. eta vs tors. theta energy: -73.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -808.533761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.533761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.533761 (E_RNA)
where:
Base-Base interactions energy: -575.026
where: short stacking energy: -238.527
Base-Backbone interact. energy: -1.767
local terms energy: -231.740095
where:
bonds (distance) C4'-P energy: -40.278
bonds (distance) P-C4' energy: -35.648
flat angles C4'-P-C4' energy: -57.855
flat angles P-C4'-P energy: -34.757
tors. eta vs tors. theta energy: -63.202
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: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -799.792626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.792626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.792626 (E_RNA)
where:
Base-Base interactions energy: -542.988
where: short stacking energy: -250.092
Base-Backbone interact. energy: -0.833
local terms energy: -255.971526
where:
bonds (distance) C4'-P energy: -37.777
bonds (distance) P-C4' energy: -48.681
flat angles C4'-P-C4' energy: -54.414
flat angles P-C4'-P energy: -40.939
tors. eta vs tors. theta energy: -74.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -687.588719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.588719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.588719 (E_RNA)
where:
Base-Base interactions energy: -467.109
where: short stacking energy: -214.312
Base-Backbone interact. energy: 1.244
local terms energy: -221.722809
where:
bonds (distance) C4'-P energy: -30.762
bonds (distance) P-C4' energy: -43.384
flat angles C4'-P-C4' energy: -49.869
flat angles P-C4'-P energy: -29.680
tors. eta vs tors. theta energy: -68.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -680.635197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.635197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.635197 (E_RNA)
where:
Base-Base interactions energy: -451.174
where: short stacking energy: -189.551
Base-Backbone interact. energy: -1.616
local terms energy: -227.844761
where:
bonds (distance) C4'-P energy: -42.781
bonds (distance) P-C4' energy: -47.511
flat angles C4'-P-C4' energy: -50.852
flat angles P-C4'-P energy: -32.558
tors. eta vs tors. theta energy: -54.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -596.502304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.502304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.502304 (E_RNA)
where:
Base-Base interactions energy: -409.458
where: short stacking energy: -176.125
Base-Backbone interact. energy: -0.550
local terms energy: -186.494807
where:
bonds (distance) C4'-P energy: -35.051
bonds (distance) P-C4' energy: -47.762
flat angles C4'-P-C4' energy: -38.135
flat angles P-C4'-P energy: -33.364
tors. eta vs tors. theta energy: -32.183
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: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -484.498786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.498786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.498786 (E_RNA)
where:
Base-Base interactions energy: -304.960
where: short stacking energy: -153.546
Base-Backbone interact. energy: -0.342
local terms energy: -179.196611
where:
bonds (distance) C4'-P energy: -41.390
bonds (distance) P-C4' energy: -32.739
flat angles C4'-P-C4' energy: -47.387
flat angles P-C4'-P energy: -26.976
tors. eta vs tors. theta energy: -30.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -397.106625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.106625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.106625 (E_RNA)
where:
Base-Base interactions energy: -230.944
where: short stacking energy: -116.555
Base-Backbone interact. energy: 0.194
local terms energy: -166.357237
where:
bonds (distance) C4'-P energy: -34.794
bonds (distance) P-C4' energy: -45.927
flat angles C4'-P-C4' energy: -45.301
flat angles P-C4'-P energy: -24.378
tors. eta vs tors. theta energy: -15.957
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: 214
Temperature: 1.350000
Total energy: -215.409694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.409694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.409694 (E_RNA)
where:
Base-Base interactions energy: -71.622
where: short stacking energy: -68.935
Base-Backbone interact. energy: 0.198
local terms energy: -143.985979
where:
bonds (distance) C4'-P energy: -38.938
bonds (distance) P-C4' energy: -42.751
flat angles C4'-P-C4' energy: -29.056
flat angles P-C4'-P energy: -30.518
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -859.235664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.235664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.235664 (E_RNA)
where:
Base-Base interactions energy: -613.876
where: short stacking energy: -252.167
Base-Backbone interact. energy: -0.732
local terms energy: -244.628035
where:
bonds (distance) C4'-P energy: -43.337
bonds (distance) P-C4' energy: -53.585
flat angles C4'-P-C4' energy: -48.301
flat angles P-C4'-P energy: -36.672
tors. eta vs tors. theta energy: -62.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -840.238626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.238626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.238626 (E_RNA)
where:
Base-Base interactions energy: -578.396
where: short stacking energy: -242.853
Base-Backbone interact. energy: 0.722
local terms energy: -262.564663
where:
bonds (distance) C4'-P energy: -51.573
bonds (distance) P-C4' energy: -51.315
flat angles C4'-P-C4' energy: -54.093
flat angles P-C4'-P energy: -37.926
tors. eta vs tors. theta energy: -67.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -813.196838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.196838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.196838 (E_RNA)
where:
Base-Base interactions energy: -564.646
where: short stacking energy: -257.505
Base-Backbone interact. energy: -0.714
local terms energy: -247.836869
where:
bonds (distance) C4'-P energy: -48.642
bonds (distance) P-C4' energy: -44.544
flat angles C4'-P-C4' energy: -52.162
flat angles P-C4'-P energy: -34.493
tors. eta vs tors. theta energy: -67.996
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: 215
Temperature: 1.050000
Total energy: -791.633986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.633986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.633986 (E_RNA)
where:
Base-Base interactions energy: -544.899
where: short stacking energy: -247.695
Base-Backbone interact. energy: -0.312
local terms energy: -246.422242
where:
bonds (distance) C4'-P energy: -42.741
bonds (distance) P-C4' energy: -49.440
flat angles C4'-P-C4' energy: -47.584
flat angles P-C4'-P energy: -34.015
tors. eta vs tors. theta energy: -72.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -690.533228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.533228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.533228 (E_RNA)
where:
Base-Base interactions energy: -461.151
where: short stacking energy: -220.922
Base-Backbone interact. energy: 0.644
local terms energy: -230.026929
where:
bonds (distance) C4'-P energy: -33.176
bonds (distance) P-C4' energy: -47.963
flat angles C4'-P-C4' energy: -50.858
flat angles P-C4'-P energy: -38.000
tors. eta vs tors. theta energy: -60.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -693.952475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.952475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.952475 (E_RNA)
where:
Base-Base interactions energy: -473.859
where: short stacking energy: -200.771
Base-Backbone interact. energy: -0.584
local terms energy: -219.509355
where:
bonds (distance) C4'-P energy: -40.074
bonds (distance) P-C4' energy: -39.205
flat angles C4'-P-C4' energy: -45.048
flat angles P-C4'-P energy: -37.698
tors. eta vs tors. theta energy: -57.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -607.058250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.058250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.058250 (E_RNA)
where:
Base-Base interactions energy: -411.751
where: short stacking energy: -184.451
Base-Backbone interact. energy: -1.588
local terms energy: -193.719887
where:
bonds (distance) C4'-P energy: -34.549
bonds (distance) P-C4' energy: -39.981
flat angles C4'-P-C4' energy: -51.590
flat angles P-C4'-P energy: -21.027
tors. eta vs tors. theta energy: -46.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -452.042043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.042043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.042043 (E_RNA)
where:
Base-Base interactions energy: -298.175
where: short stacking energy: -137.949
Base-Backbone interact. energy: -0.862
local terms energy: -153.005102
where:
bonds (distance) C4'-P energy: -28.491
bonds (distance) P-C4' energy: -31.800
flat angles C4'-P-C4' energy: -33.168
flat angles P-C4'-P energy: -27.487
tors. eta vs tors. theta energy: -32.060
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: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -367.499497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.499497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.499497 (E_RNA)
where:
Base-Base interactions energy: -223.730
where: short stacking energy: -111.878
Base-Backbone interact. energy: -0.780
local terms energy: -142.989922
where:
bonds (distance) C4'-P energy: -39.085
bonds (distance) P-C4' energy: -34.331
flat angles C4'-P-C4' energy: -37.089
flat angles P-C4'-P energy: -18.831
tors. eta vs tors. theta energy: -13.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -248.601163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.601163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.601163 (E_RNA)
where:
Base-Base interactions energy: -109.090
where: short stacking energy: -65.206
Base-Backbone interact. energy: 0.060
local terms energy: -139.571810
where:
bonds (distance) C4'-P energy: -35.436
bonds (distance) P-C4' energy: -40.257
flat angles C4'-P-C4' energy: -33.939
flat angles P-C4'-P energy: -27.747
tors. eta vs tors. theta energy: -2.192
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: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -844.820643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.820643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.820643 (E_RNA)
where:
Base-Base interactions energy: -590.028
where: short stacking energy: -244.585
Base-Backbone interact. energy: -2.585
local terms energy: -252.207993
where:
bonds (distance) C4'-P energy: -39.871
bonds (distance) P-C4' energy: -52.469
flat angles C4'-P-C4' energy: -52.432
flat angles P-C4'-P energy: -41.003
tors. eta vs tors. theta energy: -66.433
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: 2, replica: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -820.838405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.838405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.838405 (E_RNA)
where:
Base-Base interactions energy: -567.198
where: short stacking energy: -246.608
Base-Backbone interact. energy: 2.177
local terms energy: -255.817302
where:
bonds (distance) C4'-P energy: -51.770
bonds (distance) P-C4' energy: -53.709
flat angles C4'-P-C4' energy: -51.774
flat angles P-C4'-P energy: -35.583
tors. eta vs tors. theta energy: -62.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -810.943809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.943809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.943809 (E_RNA)
where:
Base-Base interactions energy: -550.876
where: short stacking energy: -241.709
Base-Backbone interact. energy: -1.074
local terms energy: -258.993003
where:
bonds (distance) C4'-P energy: -42.157
bonds (distance) P-C4' energy: -51.386
flat angles C4'-P-C4' energy: -54.085
flat angles P-C4'-P energy: -41.498
tors. eta vs tors. theta energy: -69.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -782.439700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.439700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.439700 (E_RNA)
where:
Base-Base interactions energy: -546.756
where: short stacking energy: -242.278
Base-Backbone interact. energy: -0.591
local terms energy: -235.092929
where:
bonds (distance) C4'-P energy: -44.945
bonds (distance) P-C4' energy: -46.107
flat angles C4'-P-C4' energy: -41.702
flat angles P-C4'-P energy: -32.628
tors. eta vs tors. theta energy: -69.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -716.832955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.832955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.832955 (E_RNA)
where:
Base-Base interactions energy: -483.379
where: short stacking energy: -218.414
Base-Backbone interact. energy: 0.947
local terms energy: -234.400934
where:
bonds (distance) C4'-P energy: -47.202
bonds (distance) P-C4' energy: -47.488
flat angles C4'-P-C4' energy: -47.535
flat angles P-C4'-P energy: -29.142
tors. eta vs tors. theta energy: -63.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -661.166164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.166164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.166164 (E_RNA)
where:
Base-Base interactions energy: -442.143
where: short stacking energy: -192.834
Base-Backbone interact. energy: -0.232
local terms energy: -218.790909
where:
bonds (distance) C4'-P energy: -38.832
bonds (distance) P-C4' energy: -54.070
flat angles C4'-P-C4' energy: -43.292
flat angles P-C4'-P energy: -32.716
tors. eta vs tors. theta energy: -49.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -606.712303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.712303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.712303 (E_RNA)
where:
Base-Base interactions energy: -414.794
where: short stacking energy: -175.754
Base-Backbone interact. energy: 1.676
local terms energy: -193.595198
where:
bonds (distance) C4'-P energy: -40.451
bonds (distance) P-C4' energy: -40.843
flat angles C4'-P-C4' energy: -39.076
flat angles P-C4'-P energy: -33.787
tors. eta vs tors. theta energy: -39.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -514.958429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.958429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.958429 (E_RNA)
where:
Base-Base interactions energy: -325.202
where: short stacking energy: -149.245
Base-Backbone interact. energy: 1.279
local terms energy: -191.035634
where:
bonds (distance) C4'-P energy: -34.881
bonds (distance) P-C4' energy: -46.948
flat angles C4'-P-C4' energy: -42.570
flat angles P-C4'-P energy: -32.247
tors. eta vs tors. theta energy: -34.390
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: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -370.175818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.175818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.175818 (E_RNA)
where:
Base-Base interactions energy: -223.257
where: short stacking energy: -115.550
Base-Backbone interact. energy: -1.333
local terms energy: -145.586131
where:
bonds (distance) C4'-P energy: -40.862
bonds (distance) P-C4' energy: -37.938
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -18.597
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -321.778338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.778338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.778338 (E_RNA)
where:
Base-Base interactions energy: -168.801
where: short stacking energy: -99.579
Base-Backbone interact. energy: 1.174
local terms energy: -154.151245
where:
bonds (distance) C4'-P energy: -42.599
bonds (distance) P-C4' energy: -38.234
flat angles C4'-P-C4' energy: -38.359
flat angles P-C4'-P energy: -19.872
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -852.053242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.053242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.053242 (E_RNA)
where:
Base-Base interactions energy: -596.560
where: short stacking energy: -246.358
Base-Backbone interact. energy: -1.827
local terms energy: -253.667023
where:
bonds (distance) C4'-P energy: -44.294
bonds (distance) P-C4' energy: -52.484
flat angles C4'-P-C4' energy: -52.959
flat angles P-C4'-P energy: -39.626
tors. eta vs tors. theta energy: -64.303
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: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -820.045268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.045268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.045268 (E_RNA)
where:
Base-Base interactions energy: -582.585
where: short stacking energy: -229.804
Base-Backbone interact. energy: 1.640
local terms energy: -239.100316
where:
bonds (distance) C4'-P energy: -43.418
bonds (distance) P-C4' energy: -41.685
flat angles C4'-P-C4' energy: -52.634
flat angles P-C4'-P energy: -41.440
tors. eta vs tors. theta energy: -59.923
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: 10
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -805.848871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.848871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.848871 (E_RNA)
where:
Base-Base interactions energy: -574.216
where: short stacking energy: -233.069
Base-Backbone interact. energy: 0.375
local terms energy: -232.008618
where:
bonds (distance) C4'-P energy: -41.821
bonds (distance) P-C4' energy: -46.417
flat angles C4'-P-C4' energy: -47.906
flat angles P-C4'-P energy: -32.510
tors. eta vs tors. theta energy: -63.355
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: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -789.402604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.402604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.402604 (E_RNA)
where:
Base-Base interactions energy: -536.556
where: short stacking energy: -242.230
Base-Backbone interact. energy: -0.962
local terms energy: -251.885076
where:
bonds (distance) C4'-P energy: -48.349
bonds (distance) P-C4' energy: -48.666
flat angles C4'-P-C4' energy: -52.132
flat angles P-C4'-P energy: -31.769
tors. eta vs tors. theta energy: -70.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -711.279394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.279394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.279394 (E_RNA)
where:
Base-Base interactions energy: -481.835
where: short stacking energy: -218.256
Base-Backbone interact. energy: -0.201
local terms energy: -229.243902
where:
bonds (distance) C4'-P energy: -47.366
bonds (distance) P-C4' energy: -35.019
flat angles C4'-P-C4' energy: -54.194
flat angles P-C4'-P energy: -26.108
tors. eta vs tors. theta energy: -66.557
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: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -646.741395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.741395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.741395 (E_RNA)
where:
Base-Base interactions energy: -442.337
where: short stacking energy: -201.550
Base-Backbone interact. energy: 2.044
local terms energy: -206.448108
where:
bonds (distance) C4'-P energy: -45.534
bonds (distance) P-C4' energy: -40.261
flat angles C4'-P-C4' energy: -47.737
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -51.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -604.054877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.054877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.054877 (E_RNA)
where:
Base-Base interactions energy: -407.096
where: short stacking energy: -183.134
Base-Backbone interact. energy: -0.822
local terms energy: -196.136804
where:
bonds (distance) C4'-P energy: -41.659
bonds (distance) P-C4' energy: -40.659
flat angles C4'-P-C4' energy: -38.722
flat angles P-C4'-P energy: -31.841
tors. eta vs tors. theta energy: -43.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -505.805626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.805626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.805626 (E_RNA)
where:
Base-Base interactions energy: -326.467
where: short stacking energy: -140.241
Base-Backbone interact. energy: 0.328
local terms energy: -179.666516
where:
bonds (distance) C4'-P energy: -35.271
bonds (distance) P-C4' energy: -45.913
flat angles C4'-P-C4' energy: -41.941
flat angles P-C4'-P energy: -33.007
tors. eta vs tors. theta energy: -23.535
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: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -413.041516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.041516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.041516 (E_RNA)
where:
Base-Base interactions energy: -259.778
where: short stacking energy: -106.854
Base-Backbone interact. energy: -1.064
local terms energy: -152.199145
where:
bonds (distance) C4'-P energy: -34.829
bonds (distance) P-C4' energy: -39.474
flat angles C4'-P-C4' energy: -44.277
flat angles P-C4'-P energy: -29.283
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: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -314.467469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.467469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.467469 (E_RNA)
where:
Base-Base interactions energy: -186.873
where: short stacking energy: -100.346
Base-Backbone interact. energy: -0.278
local terms energy: -127.317230
where:
bonds (distance) C4'-P energy: -49.367
bonds (distance) P-C4' energy: -27.895
flat angles C4'-P-C4' energy: -25.344
flat angles P-C4'-P energy: -18.050
tors. eta vs tors. theta energy: -6.660
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: 218
Temperature: 0.900000
Total energy: -852.980295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.980295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.980295 (E_RNA)
where:
Base-Base interactions energy: -589.779
where: short stacking energy: -248.899
Base-Backbone interact. energy: -0.137
local terms energy: -263.064171
where:
bonds (distance) C4'-P energy: -51.008
bonds (distance) P-C4' energy: -51.139
flat angles C4'-P-C4' energy: -53.218
flat angles P-C4'-P energy: -39.475
tors. eta vs tors. theta energy: -68.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -838.259576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.259576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.259576 (E_RNA)
where:
Base-Base interactions energy: -584.347
where: short stacking energy: -231.785
Base-Backbone interact. energy: -1.398
local terms energy: -252.515023
where:
bonds (distance) C4'-P energy: -47.648
bonds (distance) P-C4' energy: -46.203
flat angles C4'-P-C4' energy: -55.493
flat angles P-C4'-P energy: -40.259
tors. eta vs tors. theta energy: -62.912
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: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -807.792716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.792716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.792716 (E_RNA)
where:
Base-Base interactions energy: -556.231
where: short stacking energy: -223.099
Base-Backbone interact. energy: -0.482
local terms energy: -251.079765
where:
bonds (distance) C4'-P energy: -43.891
bonds (distance) P-C4' energy: -53.656
flat angles C4'-P-C4' energy: -53.929
flat angles P-C4'-P energy: -38.601
tors. eta vs tors. theta energy: -61.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -749.684092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.684092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.684092 (E_RNA)
where:
Base-Base interactions energy: -506.901
where: short stacking energy: -237.358
Base-Backbone interact. energy: -0.455
local terms energy: -242.328273
where:
bonds (distance) C4'-P energy: -45.076
bonds (distance) P-C4' energy: -42.711
flat angles C4'-P-C4' energy: -50.122
flat angles P-C4'-P energy: -36.067
tors. eta vs tors. theta energy: -68.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -672.629952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.629952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.629952 (E_RNA)
where:
Base-Base interactions energy: -456.249
where: short stacking energy: -203.112
Base-Backbone interact. energy: -0.389
local terms energy: -215.992785
where:
bonds (distance) C4'-P energy: -38.482
bonds (distance) P-C4' energy: -49.302
flat angles C4'-P-C4' energy: -47.136
flat angles P-C4'-P energy: -29.206
tors. eta vs tors. theta energy: -51.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -688.049783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.049783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.049783 (E_RNA)
where:
Base-Base interactions energy: -463.266
where: short stacking energy: -229.919
Base-Backbone interact. energy: 5.962
local terms energy: -230.745715
where:
bonds (distance) C4'-P energy: -32.935
bonds (distance) P-C4' energy: -45.274
flat angles C4'-P-C4' energy: -49.201
flat angles P-C4'-P energy: -38.651
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: 218
Temperature: 1.200000
Total energy: -596.922868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.922868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.922868 (E_RNA)
where:
Base-Base interactions energy: -411.123
where: short stacking energy: -177.426
Base-Backbone interact. energy: -1.384
local terms energy: -184.415285
where:
bonds (distance) C4'-P energy: -43.808
bonds (distance) P-C4' energy: -41.806
flat angles C4'-P-C4' energy: -48.343
flat angles P-C4'-P energy: -19.420
tors. eta vs tors. theta energy: -31.039
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: 3
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -494.558388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.558388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.558388 (E_RNA)
where:
Base-Base interactions energy: -327.400
where: short stacking energy: -144.956
Base-Backbone interact. energy: 0.177
local terms energy: -167.336013
where:
bonds (distance) C4'-P energy: -44.395
bonds (distance) P-C4' energy: -31.024
flat angles C4'-P-C4' energy: -36.573
flat angles P-C4'-P energy: -29.496
tors. eta vs tors. theta energy: -25.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -402.266084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.266084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.266084 (E_RNA)
where:
Base-Base interactions energy: -254.277
where: short stacking energy: -117.893
Base-Backbone interact. energy: -0.948
local terms energy: -147.041701
where:
bonds (distance) C4'-P energy: -37.299
bonds (distance) P-C4' energy: -44.868
flat angles C4'-P-C4' energy: -31.195
flat angles P-C4'-P energy: -22.461
tors. eta vs tors. theta energy: -11.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -315.437170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.437170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.437170 (E_RNA)
where:
Base-Base interactions energy: -166.140
where: short stacking energy: -101.817
Base-Backbone interact. energy: 2.460
local terms energy: -151.757370
where:
bonds (distance) C4'-P energy: -35.705
bonds (distance) P-C4' energy: -46.344
flat angles C4'-P-C4' energy: -40.700
flat angles P-C4'-P energy: -16.659
tors. eta vs tors. theta energy: -12.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -856.604070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.604070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.604070 (E_RNA)
where:
Base-Base interactions energy: -596.308
where: short stacking energy: -257.598
Base-Backbone interact. energy: 2.055
local terms energy: -262.351093
where:
bonds (distance) C4'-P energy: -48.309
bonds (distance) P-C4' energy: -51.026
flat angles C4'-P-C4' energy: -57.667
flat angles P-C4'-P energy: -39.672
tors. eta vs tors. theta energy: -65.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -835.820474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.820474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.820474 (E_RNA)
where:
Base-Base interactions energy: -606.010
where: short stacking energy: -231.084
Base-Backbone interact. energy: -0.876
local terms energy: -228.933935
where:
bonds (distance) C4'-P energy: -41.875
bonds (distance) P-C4' energy: -43.046
flat angles C4'-P-C4' energy: -52.295
flat angles P-C4'-P energy: -29.753
tors. eta vs tors. theta energy: -61.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -811.406864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.406864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.406864 (E_RNA)
where:
Base-Base interactions energy: -571.719
where: short stacking energy: -241.921
Base-Backbone interact. energy: -3.019
local terms energy: -236.669221
where:
bonds (distance) C4'-P energy: -42.725
bonds (distance) P-C4' energy: -47.268
flat angles C4'-P-C4' energy: -44.468
flat angles P-C4'-P energy: -37.494
tors. eta vs tors. theta energy: -64.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -775.256082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.256082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.256082 (E_RNA)
where:
Base-Base interactions energy: -526.768
where: short stacking energy: -232.414
Base-Backbone interact. energy: -0.410
local terms energy: -248.078455
where:
bonds (distance) C4'-P energy: -50.872
bonds (distance) P-C4' energy: -44.259
flat angles C4'-P-C4' energy: -52.998
flat angles P-C4'-P energy: -29.758
tors. eta vs tors. theta energy: -70.192
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: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -677.634066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.634066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.634066 (E_RNA)
where:
Base-Base interactions energy: -459.043
where: short stacking energy: -204.410
Base-Backbone interact. energy: 1.353
local terms energy: -219.943564
where:
bonds (distance) C4'-P energy: -37.279
bonds (distance) P-C4' energy: -42.438
flat angles C4'-P-C4' energy: -51.393
flat angles P-C4'-P energy: -32.506
tors. eta vs tors. theta energy: -56.328
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: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -683.796875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.796875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.796875 (E_RNA)
where:
Base-Base interactions energy: -480.534
where: short stacking energy: -213.288
Base-Backbone interact. energy: -1.118
local terms energy: -202.144873
where:
bonds (distance) C4'-P energy: -31.579
bonds (distance) P-C4' energy: -35.914
flat angles C4'-P-C4' energy: -43.305
flat angles P-C4'-P energy: -30.275
tors. eta vs tors. theta energy: -61.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -607.343895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.343895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.343895 (E_RNA)
where:
Base-Base interactions energy: -409.675
where: short stacking energy: -182.979
Base-Backbone interact. energy: -0.447
local terms energy: -197.221248
where:
bonds (distance) C4'-P energy: -43.705
bonds (distance) P-C4' energy: -39.936
flat angles C4'-P-C4' energy: -49.303
flat angles P-C4'-P energy: -20.628
tors. eta vs tors. theta energy: -43.648
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: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -480.397159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.397159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.397159 (E_RNA)
where:
Base-Base interactions energy: -304.088
where: short stacking energy: -149.280
Base-Backbone interact. energy: 0.796
local terms energy: -177.105854
where:
bonds (distance) C4'-P energy: -42.999
bonds (distance) P-C4' energy: -41.804
flat angles C4'-P-C4' energy: -43.515
flat angles P-C4'-P energy: -19.828
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: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -397.725433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.725433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.725433 (E_RNA)
where:
Base-Base interactions energy: -248.375
where: short stacking energy: -117.763
Base-Backbone interact. energy: 0.000
local terms energy: -149.350893
where:
bonds (distance) C4'-P energy: -35.512
bonds (distance) P-C4' energy: -45.699
flat angles C4'-P-C4' energy: -42.024
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -10.864
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: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -311.104336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.104336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.104336 (E_RNA)
where:
Base-Base interactions energy: -164.211
where: short stacking energy: -92.083
Base-Backbone interact. energy: -0.463
local terms energy: -146.429667
where:
bonds (distance) C4'-P energy: -36.071
bonds (distance) P-C4' energy: -39.470
flat angles C4'-P-C4' energy: -40.654
flat angles P-C4'-P energy: -29.101
tors. eta vs tors. theta energy: -1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -846.550549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.550549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.550549 (E_RNA)
where:
Base-Base interactions energy: -590.845
where: short stacking energy: -253.043
Base-Backbone interact. energy: -0.266
local terms energy: -255.439258
where:
bonds (distance) C4'-P energy: -48.477
bonds (distance) P-C4' energy: -50.638
flat angles C4'-P-C4' energy: -54.499
flat angles P-C4'-P energy: -32.128
tors. eta vs tors. theta energy: -69.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -819.135985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.135985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.135985 (E_RNA)
where:
Base-Base interactions energy: -584.902
where: short stacking energy: -228.859
Base-Backbone interact. energy: -0.793
local terms energy: -233.440992
where:
bonds (distance) C4'-P energy: -38.301
bonds (distance) P-C4' energy: -53.336
flat angles C4'-P-C4' energy: -46.888
flat angles P-C4'-P energy: -34.094
tors. eta vs tors. theta energy: -60.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -795.902227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.902227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.902227 (E_RNA)
where:
Base-Base interactions energy: -567.227
where: short stacking energy: -234.306
Base-Backbone interact. energy: -2.304
local terms energy: -226.371179
where:
bonds (distance) C4'-P energy: -41.051
bonds (distance) P-C4' energy: -44.567
flat angles C4'-P-C4' energy: -48.144
flat angles P-C4'-P energy: -29.718
tors. eta vs tors. theta energy: -62.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -750.732170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.732170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.732170 (E_RNA)
where:
Base-Base interactions energy: -504.264
where: short stacking energy: -237.329
Base-Backbone interact. energy: -0.691
local terms energy: -245.777242
where:
bonds (distance) C4'-P energy: -38.221
bonds (distance) P-C4' energy: -47.143
flat angles C4'-P-C4' energy: -54.731
flat angles P-C4'-P energy: -33.026
tors. eta vs tors. theta energy: -72.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -691.624854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.624854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.624854 (E_RNA)
where:
Base-Base interactions energy: -461.432
where: short stacking energy: -203.897
Base-Backbone interact. energy: -1.075
local terms energy: -229.118654
where:
bonds (distance) C4'-P energy: -36.047
bonds (distance) P-C4' energy: -46.693
flat angles C4'-P-C4' energy: -53.945
flat angles P-C4'-P energy: -27.652
tors. eta vs tors. theta energy: -64.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -670.876375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.876375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.876375 (E_RNA)
where:
Base-Base interactions energy: -457.815
where: short stacking energy: -204.992
Base-Backbone interact. energy: -1.622
local terms energy: -211.439257
where:
bonds (distance) C4'-P energy: -40.270
bonds (distance) P-C4' energy: -40.055
flat angles C4'-P-C4' energy: -46.698
flat angles P-C4'-P energy: -34.837
tors. eta vs tors. theta energy: -49.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -591.895917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.895917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.895917 (E_RNA)
where:
Base-Base interactions energy: -408.074
where: short stacking energy: -165.006
Base-Backbone interact. energy: -1.213
local terms energy: -182.608204
where:
bonds (distance) C4'-P energy: -37.388
bonds (distance) P-C4' energy: -50.161
flat angles C4'-P-C4' energy: -49.729
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -29.131
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: 3
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -502.244676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.244676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.244676 (E_RNA)
where:
Base-Base interactions energy: -328.792
where: short stacking energy: -156.257
Base-Backbone interact. energy: -0.860
local terms energy: -172.593074
where:
bonds (distance) C4'-P energy: -35.396
bonds (distance) P-C4' energy: -43.542
flat angles C4'-P-C4' energy: -39.897
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -31.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -399.782185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.782185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.782185 (E_RNA)
where:
Base-Base interactions energy: -252.589
where: short stacking energy: -115.169
Base-Backbone interact. energy: -0.835
local terms energy: -146.358151
where:
bonds (distance) C4'-P energy: -34.444
bonds (distance) P-C4' energy: -36.257
flat angles C4'-P-C4' energy: -34.192
flat angles P-C4'-P energy: -22.640
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -335.087075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.087075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.087075 (E_RNA)
where:
Base-Base interactions energy: -181.904
where: short stacking energy: -111.842
Base-Backbone interact. energy: -0.409
local terms energy: -152.774627
where:
bonds (distance) C4'-P energy: -33.096
bonds (distance) P-C4' energy: -49.914
flat angles C4'-P-C4' energy: -26.344
flat angles P-C4'-P energy: -29.492
tors. eta vs tors. theta energy: -13.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -851.687547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.687547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.687547 (E_RNA)
where:
Base-Base interactions energy: -589.570
where: short stacking energy: -256.368
Base-Backbone interact. energy: -0.665
local terms energy: -261.452718
where:
bonds (distance) C4'-P energy: -52.880
bonds (distance) P-C4' energy: -46.700
flat angles C4'-P-C4' energy: -54.634
flat angles P-C4'-P energy: -39.638
tors. eta vs tors. theta energy: -67.601
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: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -817.191087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.191087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.191087 (E_RNA)
where:
Base-Base interactions energy: -579.546
where: short stacking energy: -232.520
Base-Backbone interact. energy: -1.600
local terms energy: -236.044760
where:
bonds (distance) C4'-P energy: -45.097
bonds (distance) P-C4' energy: -48.209
flat angles C4'-P-C4' energy: -45.351
flat angles P-C4'-P energy: -36.247
tors. eta vs tors. theta energy: -61.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -798.869405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.869405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.869405 (E_RNA)
where:
Base-Base interactions energy: -560.384
where: short stacking energy: -215.768
Base-Backbone interact. energy: -0.643
local terms energy: -237.842690
where:
bonds (distance) C4'-P energy: -47.739
bonds (distance) P-C4' energy: -46.868
flat angles C4'-P-C4' energy: -47.586
flat angles P-C4'-P energy: -39.799
tors. eta vs tors. theta energy: -55.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -756.564672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.564672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.564672 (E_RNA)
where:
Base-Base interactions energy: -512.048
where: short stacking energy: -230.770
Base-Backbone interact. energy: 0.093
local terms energy: -244.610665
where:
bonds (distance) C4'-P energy: -46.139
bonds (distance) P-C4' energy: -42.187
flat angles C4'-P-C4' energy: -55.985
flat angles P-C4'-P energy: -25.847
tors. eta vs tors. theta energy: -74.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -708.758954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.758954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.758954 (E_RNA)
where:
Base-Base interactions energy: -477.805
where: short stacking energy: -219.130
Base-Backbone interact. energy: -2.270
local terms energy: -228.684444
where:
bonds (distance) C4'-P energy: -36.384
bonds (distance) P-C4' energy: -43.765
flat angles C4'-P-C4' energy: -48.315
flat angles P-C4'-P energy: -30.971
tors. eta vs tors. theta energy: -69.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -651.199522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.199522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.199522 (E_RNA)
where:
Base-Base interactions energy: -432.549
where: short stacking energy: -187.543
Base-Backbone interact. energy: -1.179
local terms energy: -217.471571
where:
bonds (distance) C4'-P energy: -49.754
bonds (distance) P-C4' energy: -42.784
flat angles C4'-P-C4' energy: -43.867
flat angles P-C4'-P energy: -33.147
tors. eta vs tors. theta energy: -47.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -603.793541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.793541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.793541 (E_RNA)
where:
Base-Base interactions energy: -401.628
where: short stacking energy: -178.159
Base-Backbone interact. energy: -1.668
local terms energy: -200.498193
where:
bonds (distance) C4'-P energy: -43.293
bonds (distance) P-C4' energy: -51.077
flat angles C4'-P-C4' energy: -45.645
flat angles P-C4'-P energy: -22.647
tors. eta vs tors. theta energy: -37.837
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: 3
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -574.133289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.133289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.133289 (E_RNA)
where:
Base-Base interactions energy: -364.181
where: short stacking energy: -174.969
Base-Backbone interact. energy: -0.133
local terms energy: -209.819948
where:
bonds (distance) C4'-P energy: -37.849
bonds (distance) P-C4' energy: -42.394
flat angles C4'-P-C4' energy: -51.599
flat angles P-C4'-P energy: -23.447
tors. eta vs tors. theta energy: -54.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -411.668541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.668541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.668541 (E_RNA)
where:
Base-Base interactions energy: -241.574
where: short stacking energy: -131.873
Base-Backbone interact. energy: -0.517
local terms energy: -169.576986
where:
bonds (distance) C4'-P energy: -40.492
bonds (distance) P-C4' energy: -30.141
flat angles C4'-P-C4' energy: -42.908
flat angles P-C4'-P energy: -35.212
tors. eta vs tors. theta energy: -20.823
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: 221
Temperature: 1.350000
Total energy: -306.969828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.969828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.969828 (E_RNA)
where:
Base-Base interactions energy: -152.381
where: short stacking energy: -93.944
Base-Backbone interact. energy: 0.703
local terms energy: -155.291573
where:
bonds (distance) C4'-P energy: -36.898
bonds (distance) P-C4' energy: -45.279
flat angles C4'-P-C4' energy: -35.072
flat angles P-C4'-P energy: -25.043
tors. eta vs tors. theta energy: -12.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -844.823552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.823552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.823552 (E_RNA)
where:
Base-Base interactions energy: -582.933
where: short stacking energy: -250.102
Base-Backbone interact. energy: -0.757
local terms energy: -261.133320
where:
bonds (distance) C4'-P energy: -52.210
bonds (distance) P-C4' energy: -51.275
flat angles C4'-P-C4' energy: -54.308
flat angles P-C4'-P energy: -35.653
tors. eta vs tors. theta energy: -67.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -834.155654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.155654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.155654 (E_RNA)
where:
Base-Base interactions energy: -586.835
where: short stacking energy: -235.808
Base-Backbone interact. energy: 0.632
local terms energy: -247.952257
where:
bonds (distance) C4'-P energy: -47.610
bonds (distance) P-C4' energy: -50.029
flat angles C4'-P-C4' energy: -52.443
flat angles P-C4'-P energy: -42.223
tors. eta vs tors. theta energy: -55.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -802.908397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.908397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.908397 (E_RNA)
where:
Base-Base interactions energy: -566.955
where: short stacking energy: -210.453
Base-Backbone interact. energy: -3.920
local terms energy: -232.033337
where:
bonds (distance) C4'-P energy: -44.487
bonds (distance) P-C4' energy: -51.441
flat angles C4'-P-C4' energy: -51.105
flat angles P-C4'-P energy: -31.866
tors. eta vs tors. theta energy: -53.134
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: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -750.969982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.969982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.969982 (E_RNA)
where:
Base-Base interactions energy: -512.187
where: short stacking energy: -225.387
Base-Backbone interact. energy: -0.970
local terms energy: -237.813033
where:
bonds (distance) C4'-P energy: -48.760
bonds (distance) P-C4' energy: -44.450
flat angles C4'-P-C4' energy: -59.243
flat angles P-C4'-P energy: -28.712
tors. eta vs tors. theta energy: -56.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -673.391030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.391030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.391030 (E_RNA)
where:
Base-Base interactions energy: -469.728
where: short stacking energy: -204.382
Base-Backbone interact. energy: -1.568
local terms energy: -202.094446
where:
bonds (distance) C4'-P energy: -35.544
bonds (distance) P-C4' energy: -40.644
flat angles C4'-P-C4' energy: -41.103
flat angles P-C4'-P energy: -33.005
tors. eta vs tors. theta energy: -51.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -635.948775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.948775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.948775 (E_RNA)
where:
Base-Base interactions energy: -416.176
where: short stacking energy: -197.637
Base-Backbone interact. energy: -1.074
local terms energy: -218.698019
where:
bonds (distance) C4'-P energy: -43.345
bonds (distance) P-C4' energy: -44.132
flat angles C4'-P-C4' energy: -46.034
flat angles P-C4'-P energy: -33.526
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: 3
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -614.572606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.572606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.572606 (E_RNA)
where:
Base-Base interactions energy: -399.670
where: short stacking energy: -176.863
Base-Backbone interact. energy: -1.682
local terms energy: -213.221023
where:
bonds (distance) C4'-P energy: -41.990
bonds (distance) P-C4' energy: -46.798
flat angles C4'-P-C4' energy: -44.928
flat angles P-C4'-P energy: -33.995
tors. eta vs tors. theta energy: -45.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -576.705860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.705860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.705860 (E_RNA)
where:
Base-Base interactions energy: -381.434
where: short stacking energy: -174.992
Base-Backbone interact. energy: -0.468
local terms energy: -194.803888
where:
bonds (distance) C4'-P energy: -36.790
bonds (distance) P-C4' energy: -43.145
flat angles C4'-P-C4' energy: -45.033
flat angles P-C4'-P energy: -20.581
tors. eta vs tors. theta energy: -49.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -454.746756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.746756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.746756 (E_RNA)
where:
Base-Base interactions energy: -285.317
where: short stacking energy: -118.449
Base-Backbone interact. energy: -0.232
local terms energy: -169.197877
where:
bonds (distance) C4'-P energy: -42.306
bonds (distance) P-C4' energy: -53.008
flat angles C4'-P-C4' energy: -34.345
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -20.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -326.277847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.277847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.277847 (E_RNA)
where:
Base-Base interactions energy: -174.604
where: short stacking energy: -88.385
Base-Backbone interact. energy: -0.225
local terms energy: -151.448831
where:
bonds (distance) C4'-P energy: -24.404
bonds (distance) P-C4' energy: -47.648
flat angles C4'-P-C4' energy: -39.630
flat angles P-C4'-P energy: -27.598
tors. eta vs tors. theta energy: -12.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -854.957103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.957103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.957103 (E_RNA)
where:
Base-Base interactions energy: -604.557
where: short stacking energy: -259.614
Base-Backbone interact. energy: -0.859
local terms energy: -249.541121
where:
bonds (distance) C4'-P energy: -37.566
bonds (distance) P-C4' energy: -49.407
flat angles C4'-P-C4' energy: -58.167
flat angles P-C4'-P energy: -33.078
tors. eta vs tors. theta energy: -71.323
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: 223
Temperature: 0.950000
Total energy: -835.932846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.932846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.932846 (E_RNA)
where:
Base-Base interactions energy: -573.044
where: short stacking energy: -228.371
Base-Backbone interact. energy: -3.532
local terms energy: -259.357350
where:
bonds (distance) C4'-P energy: -54.269
bonds (distance) P-C4' energy: -54.686
flat angles C4'-P-C4' energy: -46.807
flat angles P-C4'-P energy: -41.929
tors. eta vs tors. theta energy: -61.666
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: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -805.802663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.802663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.802663 (E_RNA)
where:
Base-Base interactions energy: -580.084
where: short stacking energy: -231.834
Base-Backbone interact. energy: 0.611
local terms energy: -226.330026
where:
bonds (distance) C4'-P energy: -35.858
bonds (distance) P-C4' energy: -47.702
flat angles C4'-P-C4' energy: -50.784
flat angles P-C4'-P energy: -33.936
tors. eta vs tors. theta energy: -58.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -747.969342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.969342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.969342 (E_RNA)
where:
Base-Base interactions energy: -514.066
where: short stacking energy: -237.041
Base-Backbone interact. energy: -2.142
local terms energy: -231.761986
where:
bonds (distance) C4'-P energy: -37.398
bonds (distance) P-C4' energy: -50.916
flat angles C4'-P-C4' energy: -44.290
flat angles P-C4'-P energy: -28.077
tors. eta vs tors. theta energy: -71.081
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: 223
Temperature: 1.100000
Total energy: -654.482476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.482476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.482476 (E_RNA)
where:
Base-Base interactions energy: -436.233
where: short stacking energy: -186.252
Base-Backbone interact. energy: -0.676
local terms energy: -217.573033
where:
bonds (distance) C4'-P energy: -47.767
bonds (distance) P-C4' energy: -44.214
flat angles C4'-P-C4' energy: -38.827
flat angles P-C4'-P energy: -35.424
tors. eta vs tors. theta energy: -51.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -676.821790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.821790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.821790 (E_RNA)
where:
Base-Base interactions energy: -448.063
where: short stacking energy: -217.591
Base-Backbone interact. energy: -0.218
local terms energy: -228.540505
where:
bonds (distance) C4'-P energy: -40.925
bonds (distance) P-C4' energy: -42.793
flat angles C4'-P-C4' energy: -54.049
flat angles P-C4'-P energy: -30.604
tors. eta vs tors. theta energy: -60.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -607.609241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.609241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.609241 (E_RNA)
where:
Base-Base interactions energy: -398.975
where: short stacking energy: -181.179
Base-Backbone interact. energy: -0.479
local terms energy: -208.155178
where:
bonds (distance) C4'-P energy: -44.576
bonds (distance) P-C4' energy: -31.671
flat angles C4'-P-C4' energy: -54.066
flat angles P-C4'-P energy: -30.580
tors. eta vs tors. theta energy: -47.263
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: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -507.224454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.224454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.224454 (E_RNA)
where:
Base-Base interactions energy: -330.868
where: short stacking energy: -140.085
Base-Backbone interact. energy: 0.188
local terms energy: -176.544459
where:
bonds (distance) C4'-P energy: -31.657
bonds (distance) P-C4' energy: -40.553
flat angles C4'-P-C4' energy: -40.481
flat angles P-C4'-P energy: -26.486
tors. eta vs tors. theta energy: -37.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -538.378551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.378551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.378551 (E_RNA)
where:
Base-Base interactions energy: -355.184
where: short stacking energy: -140.563
Base-Backbone interact. energy: -1.594
local terms energy: -181.600094
where:
bonds (distance) C4'-P energy: -39.464
bonds (distance) P-C4' energy: -44.572
flat angles C4'-P-C4' energy: -42.197
flat angles P-C4'-P energy: -31.357
tors. eta vs tors. theta energy: -24.010
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: 223
Temperature: 1.350000
Total energy: -323.728461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.728461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.728461 (E_RNA)
where:
Base-Base interactions energy: -178.355
where: short stacking energy: -105.941
Base-Backbone interact. energy: -0.693
local terms energy: -144.679686
where:
bonds (distance) C4'-P energy: -38.626
bonds (distance) P-C4' energy: -39.283
flat angles C4'-P-C4' energy: -38.152
flat angles P-C4'-P energy: -21.151
tors. eta vs tors. theta energy: -7.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -838.133409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.133409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.133409 (E_RNA)
where:
Base-Base interactions energy: -583.563
where: short stacking energy: -242.190
Base-Backbone interact. energy: -2.005
local terms energy: -252.565827
where:
bonds (distance) C4'-P energy: -53.387
bonds (distance) P-C4' energy: -44.317
flat angles C4'-P-C4' energy: -55.988
flat angles P-C4'-P energy: -34.522
tors. eta vs tors. theta energy: -64.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -844.805985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.805985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.805985 (E_RNA)
where:
Base-Base interactions energy: -592.824
where: short stacking energy: -258.892
Base-Backbone interact. energy: -0.521
local terms energy: -251.461357
where:
bonds (distance) C4'-P energy: -47.070
bonds (distance) P-C4' energy: -48.058
flat angles C4'-P-C4' energy: -55.401
flat angles P-C4'-P energy: -39.216
tors. eta vs tors. theta energy: -61.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -798.030669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.030669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.030669 (E_RNA)
where:
Base-Base interactions energy: -565.040
where: short stacking energy: -238.834
Base-Backbone interact. energy: -0.829
local terms energy: -232.161536
where:
bonds (distance) C4'-P energy: -39.047
bonds (distance) P-C4' energy: -47.841
flat angles C4'-P-C4' energy: -49.029
flat angles P-C4'-P energy: -34.939
tors. eta vs tors. theta energy: -61.305
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: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -705.140812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.140812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.140812 (E_RNA)
where:
Base-Base interactions energy: -479.263
where: short stacking energy: -216.385
Base-Backbone interact. energy: -1.241
local terms energy: -224.636572
where:
bonds (distance) C4'-P energy: -43.279
bonds (distance) P-C4' energy: -44.274
flat angles C4'-P-C4' energy: -52.549
flat angles P-C4'-P energy: -30.611
tors. eta vs tors. theta energy: -53.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -689.172540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.172540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.172540 (E_RNA)
where:
Base-Base interactions energy: -464.372
where: short stacking energy: -203.561
Base-Backbone interact. energy: -0.635
local terms energy: -224.165704
where:
bonds (distance) C4'-P energy: -42.827
bonds (distance) P-C4' energy: -42.299
flat angles C4'-P-C4' energy: -45.430
flat angles P-C4'-P energy: -39.873
tors. eta vs tors. theta energy: -53.737
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: 224
Temperature: 1.150000
Total energy: -642.016359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.016359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.016359 (E_RNA)
where:
Base-Base interactions energy: -404.503
where: short stacking energy: -180.123
Base-Backbone interact. energy: -0.472
local terms energy: -237.041619
where:
bonds (distance) C4'-P energy: -50.317
bonds (distance) P-C4' energy: -45.498
flat angles C4'-P-C4' energy: -54.506
flat angles P-C4'-P energy: -37.849
tors. eta vs tors. theta energy: -48.872
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: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -608.948258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.948258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.948258 (E_RNA)
where:
Base-Base interactions energy: -400.640
where: short stacking energy: -200.811
Base-Backbone interact. energy: -1.242
local terms energy: -207.066243
where:
bonds (distance) C4'-P energy: -30.388
bonds (distance) P-C4' energy: -40.046
flat angles C4'-P-C4' energy: -54.185
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -58.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -538.956485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.956485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.956485 (E_RNA)
where:
Base-Base interactions energy: -340.671
where: short stacking energy: -149.530
Base-Backbone interact. energy: -0.128
local terms energy: -198.157221
where:
bonds (distance) C4'-P energy: -41.550
bonds (distance) P-C4' energy: -39.499
flat angles C4'-P-C4' energy: -42.563
flat angles P-C4'-P energy: -35.543
tors. eta vs tors. theta energy: -39.003
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: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -554.228458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.228458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.228458 (E_RNA)
where:
Base-Base interactions energy: -375.126
where: short stacking energy: -161.359
Base-Backbone interact. energy: 0.853
local terms energy: -179.955633
where:
bonds (distance) C4'-P energy: -44.489
bonds (distance) P-C4' energy: -42.568
flat angles C4'-P-C4' energy: -41.716
flat angles P-C4'-P energy: -20.342
tors. eta vs tors. theta energy: -30.840
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: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -317.099134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.099134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.099134 (E_RNA)
where:
Base-Base interactions energy: -155.236
where: short stacking energy: -84.664
Base-Backbone interact. energy: -1.436
local terms energy: -160.427583
where:
bonds (distance) C4'-P energy: -50.427
bonds (distance) P-C4' energy: -44.006
flat angles C4'-P-C4' energy: -40.018
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -8.326
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: 10
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -844.389056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.389056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.389056 (E_RNA)
where:
Base-Base interactions energy: -580.234
where: short stacking energy: -251.546
Base-Backbone interact. energy: -2.819
local terms energy: -261.336748
where:
bonds (distance) C4'-P energy: -47.280
bonds (distance) P-C4' energy: -50.489
flat angles C4'-P-C4' energy: -60.203
flat angles P-C4'-P energy: -36.499
tors. eta vs tors. theta energy: -66.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -807.214905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.214905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.214905 (E_RNA)
where:
Base-Base interactions energy: -582.494
where: short stacking energy: -231.407
Base-Backbone interact. energy: -1.524
local terms energy: -223.196544
where:
bonds (distance) C4'-P energy: -39.584
bonds (distance) P-C4' energy: -33.975
flat angles C4'-P-C4' energy: -49.221
flat angles P-C4'-P energy: -35.240
tors. eta vs tors. theta energy: -65.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -796.469423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.469423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.469423 (E_RNA)
where:
Base-Base interactions energy: -552.198
where: short stacking energy: -238.852
Base-Backbone interact. energy: 1.098
local terms energy: -245.369185
where:
bonds (distance) C4'-P energy: -43.580
bonds (distance) P-C4' energy: -50.714
flat angles C4'-P-C4' energy: -52.198
flat angles P-C4'-P energy: -31.709
tors. eta vs tors. theta energy: -67.167
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: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -741.377390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.377390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.377390 (E_RNA)
where:
Base-Base interactions energy: -488.243
where: short stacking energy: -213.540
Base-Backbone interact. energy: -1.056
local terms energy: -252.078039
where:
bonds (distance) C4'-P energy: -53.802
bonds (distance) P-C4' energy: -49.502
flat angles C4'-P-C4' energy: -51.262
flat angles P-C4'-P energy: -37.357
tors. eta vs tors. theta energy: -60.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -680.659213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.659213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.659213 (E_RNA)
where:
Base-Base interactions energy: -468.170
where: short stacking energy: -204.821
Base-Backbone interact. energy: -1.258
local terms energy: -211.231908
where:
bonds (distance) C4'-P energy: -39.434
bonds (distance) P-C4' energy: -41.316
flat angles C4'-P-C4' energy: -43.422
flat angles P-C4'-P energy: -37.623
tors. eta vs tors. theta energy: -49.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -631.660190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.660190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.660190 (E_RNA)
where:
Base-Base interactions energy: -414.352
where: short stacking energy: -196.561
Base-Backbone interact. energy: -2.388
local terms energy: -214.920772
where:
bonds (distance) C4'-P energy: -45.829
bonds (distance) P-C4' energy: -45.321
flat angles C4'-P-C4' energy: -45.985
flat angles P-C4'-P energy: -29.557
tors. eta vs tors. theta energy: -48.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -555.231314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.231314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.231314 (E_RNA)
where:
Base-Base interactions energy: -346.409
where: short stacking energy: -150.623
Base-Backbone interact. energy: -0.739
local terms energy: -208.084097
where:
bonds (distance) C4'-P energy: -49.036
bonds (distance) P-C4' energy: -45.379
flat angles C4'-P-C4' energy: -37.075
flat angles P-C4'-P energy: -32.943
tors. eta vs tors. theta energy: -43.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -565.557941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.557941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.557941 (E_RNA)
where:
Base-Base interactions energy: -387.236
where: short stacking energy: -165.231
Base-Backbone interact. energy: -0.565
local terms energy: -177.756766
where:
bonds (distance) C4'-P energy: -28.038
bonds (distance) P-C4' energy: -47.379
flat angles C4'-P-C4' energy: -33.912
flat angles P-C4'-P energy: -33.703
tors. eta vs tors. theta energy: -34.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -468.957040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.957040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.957040 (E_RNA)
where:
Base-Base interactions energy: -288.436
where: short stacking energy: -142.071
Base-Backbone interact. energy: 1.564
local terms energy: -182.084717
where:
bonds (distance) C4'-P energy: -45.160
bonds (distance) P-C4' energy: -47.578
flat angles C4'-P-C4' energy: -40.899
flat angles P-C4'-P energy: -28.178
tors. eta vs tors. theta energy: -20.270
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: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -313.223467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.223467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.223467 (E_RNA)
where:
Base-Base interactions energy: -152.876
where: short stacking energy: -79.155
Base-Backbone interact. energy: -0.613
local terms energy: -159.734520
where:
bonds (distance) C4'-P energy: -43.331
bonds (distance) P-C4' energy: -43.124
flat angles C4'-P-C4' energy: -41.781
flat angles P-C4'-P energy: -28.180
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -850.520707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.520707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.520707 (E_RNA)
where:
Base-Base interactions energy: -596.263
where: short stacking energy: -253.712
Base-Backbone interact. energy: -1.893
local terms energy: -252.365332
where:
bonds (distance) C4'-P energy: -44.904
bonds (distance) P-C4' energy: -53.361
flat angles C4'-P-C4' energy: -49.452
flat angles P-C4'-P energy: -34.622
tors. eta vs tors. theta energy: -70.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -815.469077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.469077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.469077 (E_RNA)
where:
Base-Base interactions energy: -571.468
where: short stacking energy: -234.746
Base-Backbone interact. energy: -1.253
local terms energy: -242.748305
where:
bonds (distance) C4'-P energy: -50.601
bonds (distance) P-C4' energy: -45.163
flat angles C4'-P-C4' energy: -50.440
flat angles P-C4'-P energy: -34.805
tors. eta vs tors. theta energy: -61.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -812.969169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.969169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.969169 (E_RNA)
where:
Base-Base interactions energy: -564.722
where: short stacking energy: -238.907
Base-Backbone interact. energy: -0.650
local terms energy: -247.597278
where:
bonds (distance) C4'-P energy: -45.104
bonds (distance) P-C4' energy: -44.026
flat angles C4'-P-C4' energy: -54.408
flat angles P-C4'-P energy: -37.086
tors. eta vs tors. theta energy: -66.973
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: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -733.989219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.989219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.989219 (E_RNA)
where:
Base-Base interactions energy: -492.401
where: short stacking energy: -215.619
Base-Backbone interact. energy: -1.651
local terms energy: -239.937691
where:
bonds (distance) C4'-P energy: -44.808
bonds (distance) P-C4' energy: -50.088
flat angles C4'-P-C4' energy: -52.814
flat angles P-C4'-P energy: -34.240
tors. eta vs tors. theta energy: -57.988
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: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -690.625813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.625813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.625813 (E_RNA)
where:
Base-Base interactions energy: -461.573
where: short stacking energy: -211.062
Base-Backbone interact. energy: -1.074
local terms energy: -227.978898
where:
bonds (distance) C4'-P energy: -42.419
bonds (distance) P-C4' energy: -37.199
flat angles C4'-P-C4' energy: -49.571
flat angles P-C4'-P energy: -36.407
tors. eta vs tors. theta energy: -62.382
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: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -661.268911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.268911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.268911 (E_RNA)
where:
Base-Base interactions energy: -458.937
where: short stacking energy: -214.641
Base-Backbone interact. energy: -0.562
local terms energy: -201.770093
where:
bonds (distance) C4'-P energy: -28.644
bonds (distance) P-C4' energy: -40.146
flat angles C4'-P-C4' energy: -44.748
flat angles P-C4'-P energy: -29.817
tors. eta vs tors. theta energy: -58.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -536.333032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.333032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.333032 (E_RNA)
where:
Base-Base interactions energy: -345.972
where: short stacking energy: -147.805
Base-Backbone interact. energy: -0.905
local terms energy: -189.455852
where:
bonds (distance) C4'-P energy: -40.163
bonds (distance) P-C4' energy: -42.689
flat angles C4'-P-C4' energy: -43.900
flat angles P-C4'-P energy: -31.186
tors. eta vs tors. theta energy: -31.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -530.754958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.754958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.754958 (E_RNA)
where:
Base-Base interactions energy: -336.685
where: short stacking energy: -181.601
Base-Backbone interact. energy: -0.565
local terms energy: -193.504760
where:
bonds (distance) C4'-P energy: -35.424
bonds (distance) P-C4' energy: -40.358
flat angles C4'-P-C4' energy: -45.460
flat angles P-C4'-P energy: -27.951
tors. eta vs tors. theta energy: -44.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -476.258874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.258874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.258874 (E_RNA)
where:
Base-Base interactions energy: -316.922
where: short stacking energy: -143.926
Base-Backbone interact. energy: 0.573
local terms energy: -159.909559
where:
bonds (distance) C4'-P energy: -37.622
bonds (distance) P-C4' energy: -38.389
flat angles C4'-P-C4' energy: -35.527
flat angles P-C4'-P energy: -26.957
tors. eta vs tors. theta energy: -21.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -293.296321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.296321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.296321 (E_RNA)
where:
Base-Base interactions energy: -149.078
where: short stacking energy: -86.498
Base-Backbone interact. energy: 0.335
local terms energy: -144.553026
where:
bonds (distance) C4'-P energy: -38.606
bonds (distance) P-C4' energy: -39.595
flat angles C4'-P-C4' energy: -34.856
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: -10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -849.839651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.839651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.839651 (E_RNA)
where:
Base-Base interactions energy: -593.088
where: short stacking energy: -252.588
Base-Backbone interact. energy: -2.209
local terms energy: -254.542668
where:
bonds (distance) C4'-P energy: -44.968
bonds (distance) P-C4' energy: -56.412
flat angles C4'-P-C4' energy: -51.695
flat angles P-C4'-P energy: -38.128
tors. eta vs tors. theta energy: -63.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -800.250523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.250523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.250523 (E_RNA)
where:
Base-Base interactions energy: -537.590
where: short stacking energy: -239.260
Base-Backbone interact. energy: -1.869
local terms energy: -260.792199
where:
bonds (distance) C4'-P energy: -50.789
bonds (distance) P-C4' energy: -49.557
flat angles C4'-P-C4' energy: -60.515
flat angles P-C4'-P energy: -38.994
tors. eta vs tors. theta energy: -60.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -797.854442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.854442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.854442 (E_RNA)
where:
Base-Base interactions energy: -575.901
where: short stacking energy: -226.020
Base-Backbone interact. energy: -0.077
local terms energy: -221.875873
where:
bonds (distance) C4'-P energy: -41.384
bonds (distance) P-C4' energy: -46.367
flat angles C4'-P-C4' energy: -50.782
flat angles P-C4'-P energy: -30.912
tors. eta vs tors. theta energy: -52.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -741.220655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.220655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.220655 (E_RNA)
where:
Base-Base interactions energy: -487.105
where: short stacking energy: -238.299
Base-Backbone interact. energy: 0.132
local terms energy: -254.247215
where:
bonds (distance) C4'-P energy: -52.569
bonds (distance) P-C4' energy: -48.749
flat angles C4'-P-C4' energy: -53.109
flat angles P-C4'-P energy: -30.866
tors. eta vs tors. theta energy: -68.954
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: 227
Temperature: 1.100000
Total energy: -682.362198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.362198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.362198 (E_RNA)
where:
Base-Base interactions energy: -467.620
where: short stacking energy: -203.704
Base-Backbone interact. energy: -1.284
local terms energy: -213.458355
where:
bonds (distance) C4'-P energy: -39.667
bonds (distance) P-C4' energy: -36.024
flat angles C4'-P-C4' energy: -48.909
flat angles P-C4'-P energy: -35.841
tors. eta vs tors. theta energy: -53.018
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: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -642.185842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.185842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.185842 (E_RNA)
where:
Base-Base interactions energy: -413.494
where: short stacking energy: -193.394
Base-Backbone interact. energy: -1.172
local terms energy: -227.520615
where:
bonds (distance) C4'-P energy: -40.238
bonds (distance) P-C4' energy: -49.698
flat angles C4'-P-C4' energy: -47.506
flat angles P-C4'-P energy: -34.345
tors. eta vs tors. theta energy: -55.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -561.374716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.374716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.374716 (E_RNA)
where:
Base-Base interactions energy: -379.013
where: short stacking energy: -165.093
Base-Backbone interact. energy: -0.079
local terms energy: -182.283032
where:
bonds (distance) C4'-P energy: -43.981
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -51.943
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -42.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -482.682792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.682792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.682792 (E_RNA)
where:
Base-Base interactions energy: -300.703
where: short stacking energy: -157.696
Base-Backbone interact. energy: 0.168
local terms energy: -182.147741
where:
bonds (distance) C4'-P energy: -42.858
bonds (distance) P-C4' energy: -41.489
flat angles C4'-P-C4' energy: -34.841
flat angles P-C4'-P energy: -27.328
tors. eta vs tors. theta energy: -35.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -505.758719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.758719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.758719 (E_RNA)
where:
Base-Base interactions energy: -310.179
where: short stacking energy: -149.902
Base-Backbone interact. energy: -1.082
local terms energy: -194.497101
where:
bonds (distance) C4'-P energy: -46.184
bonds (distance) P-C4' energy: -44.672
flat angles C4'-P-C4' energy: -36.970
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -43.016
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: 227
Temperature: 1.350000
Total energy: -333.056018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.056018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.056018 (E_RNA)
where:
Base-Base interactions energy: -205.192
where: short stacking energy: -99.017
Base-Backbone interact. energy: 0.714
local terms energy: -128.578861
where:
bonds (distance) C4'-P energy: -31.331
bonds (distance) P-C4' energy: -35.383
flat angles C4'-P-C4' energy: -42.692
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -844.859034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.859034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.859034 (E_RNA)
where:
Base-Base interactions energy: -583.386
where: short stacking energy: -222.536
Base-Backbone interact. energy: -1.788
local terms energy: -259.684900
where:
bonds (distance) C4'-P energy: -48.292
bonds (distance) P-C4' energy: -52.473
flat angles C4'-P-C4' energy: -52.844
flat angles P-C4'-P energy: -41.301
tors. eta vs tors. theta energy: -64.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -817.577112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.577112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.577112 (E_RNA)
where:
Base-Base interactions energy: -555.948
where: short stacking energy: -255.483
Base-Backbone interact. energy: -0.235
local terms energy: -261.394401
where:
bonds (distance) C4'-P energy: -55.022
bonds (distance) P-C4' energy: -43.238
flat angles C4'-P-C4' energy: -55.607
flat angles P-C4'-P energy: -31.945
tors. eta vs tors. theta energy: -75.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -827.477689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.477689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.477689 (E_RNA)
where:
Base-Base interactions energy: -596.575
where: short stacking energy: -233.808
Base-Backbone interact. energy: 0.377
local terms energy: -231.279533
where:
bonds (distance) C4'-P energy: -43.520
bonds (distance) P-C4' energy: -46.825
flat angles C4'-P-C4' energy: -51.726
flat angles P-C4'-P energy: -33.791
tors. eta vs tors. theta energy: -55.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -749.621501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.621501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.621501 (E_RNA)
where:
Base-Base interactions energy: -513.706
where: short stacking energy: -248.728
Base-Backbone interact. energy: -1.517
local terms energy: -234.397669
where:
bonds (distance) C4'-P energy: -47.650
bonds (distance) P-C4' energy: -44.411
flat angles C4'-P-C4' energy: -45.416
flat angles P-C4'-P energy: -25.678
tors. eta vs tors. theta energy: -71.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -693.749141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.749141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.749141 (E_RNA)
where:
Base-Base interactions energy: -467.921
where: short stacking energy: -204.412
Base-Backbone interact. energy: -1.150
local terms energy: -224.678408
where:
bonds (distance) C4'-P energy: -44.856
bonds (distance) P-C4' energy: -53.768
flat angles C4'-P-C4' energy: -41.794
flat angles P-C4'-P energy: -28.198
tors. eta vs tors. theta energy: -56.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -604.443230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.443230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.443230 (E_RNA)
where:
Base-Base interactions energy: -390.630
where: short stacking energy: -185.207
Base-Backbone interact. energy: -1.007
local terms energy: -212.806817
where:
bonds (distance) C4'-P energy: -40.357
bonds (distance) P-C4' energy: -46.311
flat angles C4'-P-C4' energy: -50.256
flat angles P-C4'-P energy: -32.572
tors. eta vs tors. theta energy: -43.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -541.020918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.020918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.020918 (E_RNA)
where:
Base-Base interactions energy: -369.728
where: short stacking energy: -160.380
Base-Backbone interact. energy: 1.156
local terms energy: -172.448757
where:
bonds (distance) C4'-P energy: -38.169
bonds (distance) P-C4' energy: -32.924
flat angles C4'-P-C4' energy: -47.885
flat angles P-C4'-P energy: -25.668
tors. eta vs tors. theta energy: -27.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -458.343418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.343418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.343418 (E_RNA)
where:
Base-Base interactions energy: -295.557
where: short stacking energy: -131.120
Base-Backbone interact. energy: -1.497
local terms energy: -161.289371
where:
bonds (distance) C4'-P energy: -38.556
bonds (distance) P-C4' energy: -45.043
flat angles C4'-P-C4' energy: -38.514
flat angles P-C4'-P energy: -29.554
tors. eta vs tors. theta energy: -9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -447.891422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.891422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.891422 (E_RNA)
where:
Base-Base interactions energy: -284.314
where: short stacking energy: -124.702
Base-Backbone interact. energy: -0.915
local terms energy: -162.663231
where:
bonds (distance) C4'-P energy: -36.767
bonds (distance) P-C4' energy: -35.709
flat angles C4'-P-C4' energy: -42.498
flat angles P-C4'-P energy: -23.408
tors. eta vs tors. theta energy: -24.280
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: 228
Temperature: 1.350000
Total energy: -355.116148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.116148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.116148 (E_RNA)
where:
Base-Base interactions energy: -210.306
where: short stacking energy: -108.532
Base-Backbone interact. energy: -0.220
local terms energy: -144.589996
where:
bonds (distance) C4'-P energy: -42.023
bonds (distance) P-C4' energy: -28.279
flat angles C4'-P-C4' energy: -40.829
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -856.622519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.622519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.622519 (E_RNA)
where:
Base-Base interactions energy: -586.881
where: short stacking energy: -250.188
Base-Backbone interact. energy: -2.389
local terms energy: -267.351787
where:
bonds (distance) C4'-P energy: -46.156
bonds (distance) P-C4' energy: -61.552
flat angles C4'-P-C4' energy: -61.144
flat angles P-C4'-P energy: -35.401
tors. eta vs tors. theta energy: -63.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -830.507086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.507086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.507086 (E_RNA)
where:
Base-Base interactions energy: -565.834
where: short stacking energy: -258.095
Base-Backbone interact. energy: -0.150
local terms energy: -264.522579
where:
bonds (distance) C4'-P energy: -45.199
bonds (distance) P-C4' energy: -47.881
flat angles C4'-P-C4' energy: -53.981
flat angles P-C4'-P energy: -39.112
tors. eta vs tors. theta energy: -78.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -789.131182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.131182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.131182 (E_RNA)
where:
Base-Base interactions energy: -580.407
where: short stacking energy: -227.943
Base-Backbone interact. energy: -0.086
local terms energy: -208.638692
where:
bonds (distance) C4'-P energy: -38.415
bonds (distance) P-C4' energy: -38.973
flat angles C4'-P-C4' energy: -50.953
flat angles P-C4'-P energy: -29.039
tors. eta vs tors. theta energy: -51.259
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: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -758.299576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.299576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.299576 (E_RNA)
where:
Base-Base interactions energy: -517.631
where: short stacking energy: -231.130
Base-Backbone interact. energy: -1.525
local terms energy: -239.144288
where:
bonds (distance) C4'-P energy: -45.030
bonds (distance) P-C4' energy: -41.822
flat angles C4'-P-C4' energy: -53.463
flat angles P-C4'-P energy: -30.785
tors. eta vs tors. theta energy: -68.045
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: 5, replica: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -675.063012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.063012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.063012 (E_RNA)
where:
Base-Base interactions energy: -463.350
where: short stacking energy: -194.866
Base-Backbone interact. energy: 1.238
local terms energy: -212.950858
where:
bonds (distance) C4'-P energy: -39.647
bonds (distance) P-C4' energy: -45.470
flat angles C4'-P-C4' energy: -41.545
flat angles P-C4'-P energy: -36.126
tors. eta vs tors. theta energy: -50.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -637.005345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.005345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.005345 (E_RNA)
where:
Base-Base interactions energy: -431.404
where: short stacking energy: -201.704
Base-Backbone interact. energy: -2.314
local terms energy: -203.287353
where:
bonds (distance) C4'-P energy: -39.732
bonds (distance) P-C4' energy: -36.245
flat angles C4'-P-C4' energy: -48.861
flat angles P-C4'-P energy: -25.267
tors. eta vs tors. theta energy: -53.183
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: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -573.470675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.470675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.470675 (E_RNA)
where:
Base-Base interactions energy: -391.604
where: short stacking energy: -159.514
Base-Backbone interact. energy: 1.675
local terms energy: -183.541714
where:
bonds (distance) C4'-P energy: -32.556
bonds (distance) P-C4' energy: -40.329
flat angles C4'-P-C4' energy: -43.453
flat angles P-C4'-P energy: -33.753
tors. eta vs tors. theta energy: -33.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -522.984203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.984203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.984203 (E_RNA)
where:
Base-Base interactions energy: -344.960
where: short stacking energy: -151.692
Base-Backbone interact. energy: -1.800
local terms energy: -176.224352
where:
bonds (distance) C4'-P energy: -37.606
bonds (distance) P-C4' energy: -48.556
flat angles C4'-P-C4' energy: -38.387
flat angles P-C4'-P energy: -17.911
tors. eta vs tors. theta energy: -33.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -408.812863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.812863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.812863 (E_RNA)
where:
Base-Base interactions energy: -246.348
where: short stacking energy: -113.646
Base-Backbone interact. energy: -0.263
local terms energy: -162.201835
where:
bonds (distance) C4'-P energy: -40.702
bonds (distance) P-C4' energy: -42.417
flat angles C4'-P-C4' energy: -37.363
flat angles P-C4'-P energy: -20.547
tors. eta vs tors. theta energy: -21.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -312.444453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.444453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.444453 (E_RNA)
where:
Base-Base interactions energy: -166.698
where: short stacking energy: -101.303
Base-Backbone interact. energy: 1.016
local terms energy: -146.762790
where:
bonds (distance) C4'-P energy: -39.514
bonds (distance) P-C4' energy: -35.631
flat angles C4'-P-C4' energy: -32.699
flat angles P-C4'-P energy: -27.514
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -850.680674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.680674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.680674 (E_RNA)
where:
Base-Base interactions energy: -586.475
where: short stacking energy: -264.797
Base-Backbone interact. energy: -0.685
local terms energy: -263.520003
where:
bonds (distance) C4'-P energy: -45.611
bonds (distance) P-C4' energy: -48.814
flat angles C4'-P-C4' energy: -55.599
flat angles P-C4'-P energy: -42.072
tors. eta vs tors. theta energy: -71.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -847.526164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.526164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.526164 (E_RNA)
where:
Base-Base interactions energy: -595.900
where: short stacking energy: -251.017
Base-Backbone interact. energy: -0.961
local terms energy: -250.664570
where:
bonds (distance) C4'-P energy: -46.834
bonds (distance) P-C4' energy: -46.518
flat angles C4'-P-C4' energy: -55.607
flat angles P-C4'-P energy: -34.038
tors. eta vs tors. theta energy: -67.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -754.958252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.958252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.958252 (E_RNA)
where:
Base-Base interactions energy: -510.196
where: short stacking energy: -226.559
Base-Backbone interact. energy: -0.325
local terms energy: -244.437406
where:
bonds (distance) C4'-P energy: -45.511
bonds (distance) P-C4' energy: -46.206
flat angles C4'-P-C4' energy: -53.825
flat angles P-C4'-P energy: -35.637
tors. eta vs tors. theta energy: -63.259
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: 4
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -765.033665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.033665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.033665 (E_RNA)
where:
Base-Base interactions energy: -559.239
where: short stacking energy: -214.924
Base-Backbone interact. energy: -1.294
local terms energy: -204.500778
where:
bonds (distance) C4'-P energy: -38.602
bonds (distance) P-C4' energy: -40.405
flat angles C4'-P-C4' energy: -47.677
flat angles P-C4'-P energy: -27.883
tors. eta vs tors. theta energy: -49.934
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: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -669.662267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.662267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.662267 (E_RNA)
where:
Base-Base interactions energy: -460.937
where: short stacking energy: -198.102
Base-Backbone interact. energy: -1.400
local terms energy: -207.324807
where:
bonds (distance) C4'-P energy: -45.375
bonds (distance) P-C4' energy: -41.042
flat angles C4'-P-C4' energy: -45.055
flat angles P-C4'-P energy: -29.644
tors. eta vs tors. theta energy: -46.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -629.266936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.266936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.266936 (E_RNA)
where:
Base-Base interactions energy: -419.750
where: short stacking energy: -209.147
Base-Backbone interact. energy: -0.904
local terms energy: -208.613105
where:
bonds (distance) C4'-P energy: -43.459
bonds (distance) P-C4' energy: -34.924
flat angles C4'-P-C4' energy: -47.959
flat angles P-C4'-P energy: -26.249
tors. eta vs tors. theta energy: -56.022
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: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -572.443007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.443007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.443007 (E_RNA)
where:
Base-Base interactions energy: -370.178
where: short stacking energy: -149.056
Base-Backbone interact. energy: -0.014
local terms energy: -202.251294
where:
bonds (distance) C4'-P energy: -46.673
bonds (distance) P-C4' energy: -41.841
flat angles C4'-P-C4' energy: -43.024
flat angles P-C4'-P energy: -31.162
tors. eta vs tors. theta energy: -39.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -595.224474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.224474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.224474 (E_RNA)
where:
Base-Base interactions energy: -411.945
where: short stacking energy: -189.548
Base-Backbone interact. energy: -1.121
local terms energy: -182.157875
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -39.209
flat angles C4'-P-C4' energy: -50.945
flat angles P-C4'-P energy: -25.420
tors. eta vs tors. theta energy: -48.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -372.815480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.815480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.815480 (E_RNA)
where:
Base-Base interactions energy: -216.395
where: short stacking energy: -100.730
Base-Backbone interact. energy: 0.213
local terms energy: -156.633392
where:
bonds (distance) C4'-P energy: -42.711
bonds (distance) P-C4' energy: -44.846
flat angles C4'-P-C4' energy: -42.872
flat angles P-C4'-P energy: -19.822
tors. eta vs tors. theta energy: -6.383
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: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -306.084469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.084469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.084469 (E_RNA)
where:
Base-Base interactions energy: -174.182
where: short stacking energy: -94.740
Base-Backbone interact. energy: 1.335
local terms energy: -133.237031
where:
bonds (distance) C4'-P energy: -33.555
bonds (distance) P-C4' energy: -35.612
flat angles C4'-P-C4' energy: -36.995
flat angles P-C4'-P energy: -24.212
tors. eta vs tors. theta energy: -2.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -857.088433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.088433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.088433 (E_RNA)
where:
Base-Base interactions energy: -582.770
where: short stacking energy: -264.731
Base-Backbone interact. energy: -0.842
local terms energy: -273.476320
where:
bonds (distance) C4'-P energy: -44.273
bonds (distance) P-C4' energy: -50.958
flat angles C4'-P-C4' energy: -56.234
flat angles P-C4'-P energy: -38.755
tors. eta vs tors. theta energy: -83.257
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: 10
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -825.570189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.570189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.570189 (E_RNA)
where:
Base-Base interactions energy: -568.629
where: short stacking energy: -235.732
Base-Backbone interact. energy: -1.525
local terms energy: -255.415979
where:
bonds (distance) C4'-P energy: -47.166
bonds (distance) P-C4' energy: -55.038
flat angles C4'-P-C4' energy: -50.325
flat angles P-C4'-P energy: -39.681
tors. eta vs tors. theta energy: -63.205
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: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -764.489093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.489093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.489093 (E_RNA)
where:
Base-Base interactions energy: -526.808
where: short stacking energy: -231.066
Base-Backbone interact. energy: -0.362
local terms energy: -237.318954
where:
bonds (distance) C4'-P energy: -48.418
bonds (distance) P-C4' energy: -47.617
flat angles C4'-P-C4' energy: -43.876
flat angles P-C4'-P energy: -37.349
tors. eta vs tors. theta energy: -60.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -762.727315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.727315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.727315 (E_RNA)
where:
Base-Base interactions energy: -550.908
where: short stacking energy: -220.491
Base-Backbone interact. energy: 1.150
local terms energy: -212.969361
where:
bonds (distance) C4'-P energy: -46.357
bonds (distance) P-C4' energy: -37.574
flat angles C4'-P-C4' energy: -44.983
flat angles P-C4'-P energy: -35.589
tors. eta vs tors. theta energy: -48.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -678.430288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.430288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.430288 (E_RNA)
where:
Base-Base interactions energy: -482.827
where: short stacking energy: -197.348
Base-Backbone interact. energy: 1.621
local terms energy: -197.224017
where:
bonds (distance) C4'-P energy: -45.525
bonds (distance) P-C4' energy: -42.658
flat angles C4'-P-C4' energy: -37.015
flat angles P-C4'-P energy: -30.667
tors. eta vs tors. theta energy: -41.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -631.311848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.311848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.311848 (E_RNA)
where:
Base-Base interactions energy: -416.003
where: short stacking energy: -188.587
Base-Backbone interact. energy: -1.142
local terms energy: -214.166313
where:
bonds (distance) C4'-P energy: -48.577
bonds (distance) P-C4' energy: -37.096
flat angles C4'-P-C4' energy: -42.926
flat angles P-C4'-P energy: -34.989
tors. eta vs tors. theta energy: -50.578
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: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -564.867018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.867018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.867018 (E_RNA)
where:
Base-Base interactions energy: -364.608
where: short stacking energy: -173.485
Base-Backbone interact. energy: 0.097
local terms energy: -200.356164
where:
bonds (distance) C4'-P energy: -44.859
bonds (distance) P-C4' energy: -41.317
flat angles C4'-P-C4' energy: -43.080
flat angles P-C4'-P energy: -26.727
tors. eta vs tors. theta energy: -44.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -591.963079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.963079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.963079 (E_RNA)
where:
Base-Base interactions energy: -405.694
where: short stacking energy: -162.105
Base-Backbone interact. energy: 0.315
local terms energy: -186.583496
where:
bonds (distance) C4'-P energy: -44.787
bonds (distance) P-C4' energy: -49.728
flat angles C4'-P-C4' energy: -37.533
flat angles P-C4'-P energy: -29.697
tors. eta vs tors. theta energy: -24.839
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: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -401.430424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.430424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.430424 (E_RNA)
where:
Base-Base interactions energy: -233.150
where: short stacking energy: -129.709
Base-Backbone interact. energy: -0.491
local terms energy: -167.788989
where:
bonds (distance) C4'-P energy: -35.565
bonds (distance) P-C4' energy: -47.348
flat angles C4'-P-C4' energy: -46.938
flat angles P-C4'-P energy: -17.858
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -351.045096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.045096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.045096 (E_RNA)
where:
Base-Base interactions energy: -192.065
where: short stacking energy: -94.675
Base-Backbone interact. energy: -0.776
local terms energy: -158.204528
where:
bonds (distance) C4'-P energy: -40.237
bonds (distance) P-C4' energy: -49.767
flat angles C4'-P-C4' energy: -36.207
flat angles P-C4'-P energy: -25.208
tors. eta vs tors. theta energy: -6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -853.388013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.388013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.388013 (E_RNA)
where:
Base-Base interactions energy: -608.902
where: short stacking energy: -258.721
Base-Backbone interact. energy: -1.475
local terms energy: -243.011106
where:
bonds (distance) C4'-P energy: -49.367
bonds (distance) P-C4' energy: -47.239
flat angles C4'-P-C4' energy: -48.751
flat angles P-C4'-P energy: -31.799
tors. eta vs tors. theta energy: -65.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -848.707625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.707625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.707625 (E_RNA)
where:
Base-Base interactions energy: -575.732
where: short stacking energy: -260.229
Base-Backbone interact. energy: -1.036
local terms energy: -271.939566
where:
bonds (distance) C4'-P energy: -51.735
bonds (distance) P-C4' energy: -51.970
flat angles C4'-P-C4' energy: -53.443
flat angles P-C4'-P energy: -42.127
tors. eta vs tors. theta energy: -72.665
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: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -814.969430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.969430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.969430 (E_RNA)
where:
Base-Base interactions energy: -574.095
where: short stacking energy: -227.848
Base-Backbone interact. energy: -2.203
local terms energy: -238.671942
where:
bonds (distance) C4'-P energy: -55.131
bonds (distance) P-C4' energy: -44.391
flat angles C4'-P-C4' energy: -47.905
flat angles P-C4'-P energy: -33.507
tors. eta vs tors. theta energy: -57.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -756.058833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.058833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.058833 (E_RNA)
where:
Base-Base interactions energy: -510.568
where: short stacking energy: -222.448
Base-Backbone interact. energy: -0.664
local terms energy: -244.826565
where:
bonds (distance) C4'-P energy: -47.616
bonds (distance) P-C4' energy: -47.300
flat angles C4'-P-C4' energy: -52.866
flat angles P-C4'-P energy: -35.909
tors. eta vs tors. theta energy: -61.135
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: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -670.053239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.053239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.053239 (E_RNA)
where:
Base-Base interactions energy: -458.553
where: short stacking energy: -180.608
Base-Backbone interact. energy: -1.396
local terms energy: -210.104378
where:
bonds (distance) C4'-P energy: -39.759
bonds (distance) P-C4' energy: -49.544
flat angles C4'-P-C4' energy: -49.486
flat angles P-C4'-P energy: -29.367
tors. eta vs tors. theta energy: -41.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -644.677096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.677096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.677096 (E_RNA)
where:
Base-Base interactions energy: -429.482
where: short stacking energy: -208.004
Base-Backbone interact. energy: -1.831
local terms energy: -213.363923
where:
bonds (distance) C4'-P energy: -41.057
bonds (distance) P-C4' energy: -40.600
flat angles C4'-P-C4' energy: -48.129
flat angles P-C4'-P energy: -33.904
tors. eta vs tors. theta energy: -49.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -605.107851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.107851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.107851 (E_RNA)
where:
Base-Base interactions energy: -398.801
where: short stacking energy: -171.572
Base-Backbone interact. energy: 1.362
local terms energy: -207.669226
where:
bonds (distance) C4'-P energy: -42.830
bonds (distance) P-C4' energy: -37.208
flat angles C4'-P-C4' energy: -51.406
flat angles P-C4'-P energy: -28.685
tors. eta vs tors. theta energy: -47.540
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: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -573.996202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.996202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.996202 (E_RNA)
where:
Base-Base interactions energy: -371.646
where: short stacking energy: -167.357
Base-Backbone interact. energy: 0.049
local terms energy: -202.399689
where:
bonds (distance) C4'-P energy: -43.178
bonds (distance) P-C4' energy: -44.789
flat angles C4'-P-C4' energy: -38.872
flat angles P-C4'-P energy: -34.242
tors. eta vs tors. theta energy: -41.320
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: 232
Temperature: 1.300000
Total energy: -375.710080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.710080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.710080 (E_RNA)
where:
Base-Base interactions energy: -242.727
where: short stacking energy: -101.234
Base-Backbone interact. energy: 1.602
local terms energy: -134.585379
where:
bonds (distance) C4'-P energy: -28.339
bonds (distance) P-C4' energy: -44.802
flat angles C4'-P-C4' energy: -38.663
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -2.069
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: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -387.874040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.874040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.874040 (E_RNA)
where:
Base-Base interactions energy: -226.528
where: short stacking energy: -99.648
Base-Backbone interact. energy: 0.031
local terms energy: -161.376776
where:
bonds (distance) C4'-P energy: -39.492
bonds (distance) P-C4' energy: -42.921
flat angles C4'-P-C4' energy: -42.754
flat angles P-C4'-P energy: -21.559
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -853.405703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.405703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.405703 (E_RNA)
where:
Base-Base interactions energy: -584.147
where: short stacking energy: -242.439
Base-Backbone interact. energy: 2.008
local terms energy: -271.267247
where:
bonds (distance) C4'-P energy: -48.657
bonds (distance) P-C4' energy: -51.840
flat angles C4'-P-C4' energy: -60.618
flat angles P-C4'-P energy: -42.547
tors. eta vs tors. theta energy: -67.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -831.696930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.696930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.696930 (E_RNA)
where:
Base-Base interactions energy: -593.019
where: short stacking energy: -231.452
Base-Backbone interact. energy: -0.471
local terms energy: -238.206252
where:
bonds (distance) C4'-P energy: -49.524
bonds (distance) P-C4' energy: -44.511
flat angles C4'-P-C4' energy: -49.619
flat angles P-C4'-P energy: -38.404
tors. eta vs tors. theta energy: -56.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -814.058543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.058543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.058543 (E_RNA)
where:
Base-Base interactions energy: -547.695
where: short stacking energy: -254.322
Base-Backbone interact. energy: -1.843
local terms energy: -264.521110
where:
bonds (distance) C4'-P energy: -48.940
bonds (distance) P-C4' energy: -45.059
flat angles C4'-P-C4' energy: -56.942
flat angles P-C4'-P energy: -38.697
tors. eta vs tors. theta energy: -74.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -699.989931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.989931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.989931 (E_RNA)
where:
Base-Base interactions energy: -480.176
where: short stacking energy: -194.760
Base-Backbone interact. energy: 0.218
local terms energy: -220.031814
where:
bonds (distance) C4'-P energy: -33.480
bonds (distance) P-C4' energy: -55.099
flat angles C4'-P-C4' energy: -47.099
flat angles P-C4'-P energy: -36.649
tors. eta vs tors. theta energy: -47.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -728.445460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.445460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.445460 (E_RNA)
where:
Base-Base interactions energy: -487.260
where: short stacking energy: -218.545
Base-Backbone interact. energy: -2.281
local terms energy: -238.903930
where:
bonds (distance) C4'-P energy: -49.616
bonds (distance) P-C4' energy: -39.599
flat angles C4'-P-C4' energy: -55.505
flat angles P-C4'-P energy: -34.294
tors. eta vs tors. theta energy: -59.891
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: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -612.284281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.284281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.284281 (E_RNA)
where:
Base-Base interactions energy: -401.066
where: short stacking energy: -209.988
Base-Backbone interact. energy: -0.088
local terms energy: -211.130097
where:
bonds (distance) C4'-P energy: -37.857
bonds (distance) P-C4' energy: -39.154
flat angles C4'-P-C4' energy: -49.733
flat angles P-C4'-P energy: -32.024
tors. eta vs tors. theta energy: -52.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -591.240433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.240433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.240433 (E_RNA)
where:
Base-Base interactions energy: -398.941
where: short stacking energy: -174.589
Base-Backbone interact. energy: -1.737
local terms energy: -190.562259
where:
bonds (distance) C4'-P energy: -50.038
bonds (distance) P-C4' energy: -45.648
flat angles C4'-P-C4' energy: -29.670
flat angles P-C4'-P energy: -24.933
tors. eta vs tors. theta energy: -40.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -577.533747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.533747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.533747 (E_RNA)
where:
Base-Base interactions energy: -395.402
where: short stacking energy: -169.677
Base-Backbone interact. energy: -1.005
local terms energy: -181.126497
where:
bonds (distance) C4'-P energy: -37.936
bonds (distance) P-C4' energy: -38.713
flat angles C4'-P-C4' energy: -44.678
flat angles P-C4'-P energy: -22.822
tors. eta vs tors. theta energy: -36.977
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: 233
Temperature: 1.300000
Total energy: -399.075483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.075483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.075483 (E_RNA)
where:
Base-Base interactions energy: -241.055
where: short stacking energy: -121.062
Base-Backbone interact. energy: -0.641
local terms energy: -157.379720
where:
bonds (distance) C4'-P energy: -45.297
bonds (distance) P-C4' energy: -34.457
flat angles C4'-P-C4' energy: -35.330
flat angles P-C4'-P energy: -25.376
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -354.646521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.646521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.646521 (E_RNA)
where:
Base-Base interactions energy: -203.530
where: short stacking energy: -89.784
Base-Backbone interact. energy: 5.095
local terms energy: -156.211482
where:
bonds (distance) C4'-P energy: -34.654
bonds (distance) P-C4' energy: -38.944
flat angles C4'-P-C4' energy: -39.466
flat angles P-C4'-P energy: -25.729
tors. eta vs tors. theta energy: -17.419
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: 234
Temperature: 0.900000
Total energy: -859.031485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.031485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.031485 (E_RNA)
where:
Base-Base interactions energy: -599.982
where: short stacking energy: -246.095
Base-Backbone interact. energy: -1.032
local terms energy: -258.017814
where:
bonds (distance) C4'-P energy: -47.230
bonds (distance) P-C4' energy: -53.954
flat angles C4'-P-C4' energy: -55.655
flat angles P-C4'-P energy: -40.990
tors. eta vs tors. theta energy: -60.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -823.213907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.213907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.213907 (E_RNA)
where:
Base-Base interactions energy: -589.030
where: short stacking energy: -236.552
Base-Backbone interact. energy: -1.090
local terms energy: -233.093981
where:
bonds (distance) C4'-P energy: -44.501
bonds (distance) P-C4' energy: -48.522
flat angles C4'-P-C4' energy: -55.451
flat angles P-C4'-P energy: -33.510
tors. eta vs tors. theta energy: -51.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -803.414537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.414537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.414537 (E_RNA)
where:
Base-Base interactions energy: -563.967
where: short stacking energy: -252.832
Base-Backbone interact. energy: -1.089
local terms energy: -238.358609
where:
bonds (distance) C4'-P energy: -45.531
bonds (distance) P-C4' energy: -50.178
flat angles C4'-P-C4' energy: -45.270
flat angles P-C4'-P energy: -29.341
tors. eta vs tors. theta energy: -68.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -737.009017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.009017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.009017 (E_RNA)
where:
Base-Base interactions energy: -496.146
where: short stacking energy: -209.070
Base-Backbone interact. energy: -2.612
local terms energy: -238.250977
where:
bonds (distance) C4'-P energy: -43.213
bonds (distance) P-C4' energy: -50.992
flat angles C4'-P-C4' energy: -49.634
flat angles P-C4'-P energy: -37.575
tors. eta vs tors. theta energy: -56.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -719.991618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.991618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.991618 (E_RNA)
where:
Base-Base interactions energy: -493.123
where: short stacking energy: -210.934
Base-Backbone interact. energy: -0.770
local terms energy: -226.098302
where:
bonds (distance) C4'-P energy: -50.684
bonds (distance) P-C4' energy: -43.608
flat angles C4'-P-C4' energy: -43.928
flat angles P-C4'-P energy: -26.985
tors. eta vs tors. theta energy: -60.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -595.127310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.127310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.127310 (E_RNA)
where:
Base-Base interactions energy: -393.600
where: short stacking energy: -197.320
Base-Backbone interact. energy: -0.423
local terms energy: -201.104427
where:
bonds (distance) C4'-P energy: -44.948
bonds (distance) P-C4' energy: -45.933
flat angles C4'-P-C4' energy: -38.594
flat angles P-C4'-P energy: -23.033
tors. eta vs tors. theta energy: -48.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -614.220628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.220628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.220628 (E_RNA)
where:
Base-Base interactions energy: -407.327
where: short stacking energy: -180.342
Base-Backbone interact. energy: 0.166
local terms energy: -207.059188
where:
bonds (distance) C4'-P energy: -38.501
bonds (distance) P-C4' energy: -48.908
flat angles C4'-P-C4' energy: -38.187
flat angles P-C4'-P energy: -37.624
tors. eta vs tors. theta energy: -43.839
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: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -576.349944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.349944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.349944 (E_RNA)
where:
Base-Base interactions energy: -380.699
where: short stacking energy: -147.260
Base-Backbone interact. energy: -2.029
local terms energy: -193.621329
where:
bonds (distance) C4'-P energy: -31.929
bonds (distance) P-C4' energy: -44.703
flat angles C4'-P-C4' energy: -45.266
flat angles P-C4'-P energy: -29.677
tors. eta vs tors. theta energy: -42.046
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: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -409.372316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.372316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.372316 (E_RNA)
where:
Base-Base interactions energy: -248.453
where: short stacking energy: -116.950
Base-Backbone interact. energy: -0.077
local terms energy: -160.841487
where:
bonds (distance) C4'-P energy: -40.264
bonds (distance) P-C4' energy: -40.555
flat angles C4'-P-C4' energy: -35.821
flat angles P-C4'-P energy: -28.075
tors. eta vs tors. theta energy: -16.127
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: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -339.236027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.236027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.236027 (E_RNA)
where:
Base-Base interactions energy: -195.903
where: short stacking energy: -79.709
Base-Backbone interact. energy: -1.434
local terms energy: -141.898718
where:
bonds (distance) C4'-P energy: -38.304
bonds (distance) P-C4' energy: -38.527
flat angles C4'-P-C4' energy: -50.044
flat angles P-C4'-P energy: -20.514
tors. eta vs tors. theta energy: 5.490
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: 10
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -840.705891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.705891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.705891 (E_RNA)
where:
Base-Base interactions energy: -594.108
where: short stacking energy: -242.949
Base-Backbone interact. energy: -1.000
local terms energy: -245.597240
where:
bonds (distance) C4'-P energy: -53.942
bonds (distance) P-C4' energy: -45.754
flat angles C4'-P-C4' energy: -47.070
flat angles P-C4'-P energy: -37.613
tors. eta vs tors. theta energy: -61.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -830.815902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.815902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.815902 (E_RNA)
where:
Base-Base interactions energy: -584.274
where: short stacking energy: -269.498
Base-Backbone interact. energy: 1.242
local terms energy: -247.783421
where:
bonds (distance) C4'-P energy: -40.514
bonds (distance) P-C4' energy: -44.810
flat angles C4'-P-C4' energy: -49.367
flat angles P-C4'-P energy: -37.840
tors. eta vs tors. theta energy: -75.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -800.083939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.083939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.083939 (E_RNA)
where:
Base-Base interactions energy: -573.619
where: short stacking energy: -218.840
Base-Backbone interact. energy: -0.039
local terms energy: -226.426641
where:
bonds (distance) C4'-P energy: -40.764
bonds (distance) P-C4' energy: -50.571
flat angles C4'-P-C4' energy: -51.903
flat angles P-C4'-P energy: -34.657
tors. eta vs tors. theta energy: -48.531
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: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -758.359990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.359990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.359990 (E_RNA)
where:
Base-Base interactions energy: -512.857
where: short stacking energy: -232.713
Base-Backbone interact. energy: -0.596
local terms energy: -244.907377
where:
bonds (distance) C4'-P energy: -48.794
bonds (distance) P-C4' energy: -47.811
flat angles C4'-P-C4' energy: -52.284
flat angles P-C4'-P energy: -32.860
tors. eta vs tors. theta energy: -63.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -710.275532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.275532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.275532 (E_RNA)
where:
Base-Base interactions energy: -503.577
where: short stacking energy: -222.936
Base-Backbone interact. energy: -0.887
local terms energy: -205.811803
where:
bonds (distance) C4'-P energy: -33.509
bonds (distance) P-C4' energy: -39.786
flat angles C4'-P-C4' energy: -42.615
flat angles P-C4'-P energy: -37.609
tors. eta vs tors. theta energy: -52.292
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: 6, replica: 8
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -639.746972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.746972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.746972 (E_RNA)
where:
Base-Base interactions energy: -423.213
where: short stacking energy: -181.663
Base-Backbone interact. energy: 0.922
local terms energy: -217.456164
where:
bonds (distance) C4'-P energy: -49.218
bonds (distance) P-C4' energy: -46.098
flat angles C4'-P-C4' energy: -48.231
flat angles P-C4'-P energy: -33.390
tors. eta vs tors. theta energy: -40.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -577.958761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.958761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.958761 (E_RNA)
where:
Base-Base interactions energy: -363.363
where: short stacking energy: -181.448
Base-Backbone interact. energy: -1.134
local terms energy: -213.461910
where:
bonds (distance) C4'-P energy: -43.476
bonds (distance) P-C4' energy: -48.608
flat angles C4'-P-C4' energy: -47.061
flat angles P-C4'-P energy: -27.120
tors. eta vs tors. theta energy: -47.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -591.724899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.724899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.724899 (E_RNA)
where:
Base-Base interactions energy: -407.362
where: short stacking energy: -159.264
Base-Backbone interact. energy: -0.199
local terms energy: -184.163332
where:
bonds (distance) C4'-P energy: -43.076
bonds (distance) P-C4' energy: -34.437
flat angles C4'-P-C4' energy: -45.428
flat angles P-C4'-P energy: -23.137
tors. eta vs tors. theta energy: -38.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -451.549710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.549710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.549710 (E_RNA)
where:
Base-Base interactions energy: -289.423
where: short stacking energy: -141.875
Base-Backbone interact. energy: -0.363
local terms energy: -161.763665
where:
bonds (distance) C4'-P energy: -44.827
bonds (distance) P-C4' energy: -39.292
flat angles C4'-P-C4' energy: -39.304
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -21.875
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: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -362.818992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.818992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.818992 (E_RNA)
where:
Base-Base interactions energy: -227.107
where: short stacking energy: -102.096
Base-Backbone interact. energy: 0.226
local terms energy: -135.937208
where:
bonds (distance) C4'-P energy: -32.862
bonds (distance) P-C4' energy: -35.085
flat angles C4'-P-C4' energy: -26.598
flat angles P-C4'-P energy: -27.921
tors. eta vs tors. theta energy: -13.471
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: 236
Temperature: 0.900000
Total energy: -846.187675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.187675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.187675 (E_RNA)
where:
Base-Base interactions energy: -605.934
where: short stacking energy: -260.046
Base-Backbone interact. energy: -1.548
local terms energy: -238.706285
where:
bonds (distance) C4'-P energy: -40.453
bonds (distance) P-C4' energy: -50.018
flat angles C4'-P-C4' energy: -54.132
flat angles P-C4'-P energy: -33.430
tors. eta vs tors. theta energy: -60.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -819.850471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.850471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.850471 (E_RNA)
where:
Base-Base interactions energy: -557.966
where: short stacking energy: -260.485
Base-Backbone interact. energy: 0.308
local terms energy: -262.192646
where:
bonds (distance) C4'-P energy: -55.312
bonds (distance) P-C4' energy: -47.722
flat angles C4'-P-C4' energy: -47.458
flat angles P-C4'-P energy: -39.321
tors. eta vs tors. theta energy: -72.379
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: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -782.121944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.121944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.121944 (E_RNA)
where:
Base-Base interactions energy: -542.305
where: short stacking energy: -260.151
Base-Backbone interact. energy: -0.954
local terms energy: -238.863204
where:
bonds (distance) C4'-P energy: -33.379
bonds (distance) P-C4' energy: -42.877
flat angles C4'-P-C4' energy: -53.051
flat angles P-C4'-P energy: -34.041
tors. eta vs tors. theta energy: -75.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -784.257461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.257461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.257461 (E_RNA)
where:
Base-Base interactions energy: -554.071
where: short stacking energy: -224.798
Base-Backbone interact. energy: -1.996
local terms energy: -228.190261
where:
bonds (distance) C4'-P energy: -42.516
bonds (distance) P-C4' energy: -45.559
flat angles C4'-P-C4' energy: -54.689
flat angles P-C4'-P energy: -33.570
tors. eta vs tors. theta energy: -51.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -697.900862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.900862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.900862 (E_RNA)
where:
Base-Base interactions energy: -483.295
where: short stacking energy: -212.864
Base-Backbone interact. energy: -1.467
local terms energy: -213.138330
where:
bonds (distance) C4'-P energy: -43.170
bonds (distance) P-C4' energy: -33.950
flat angles C4'-P-C4' energy: -49.890
flat angles P-C4'-P energy: -32.029
tors. eta vs tors. theta energy: -54.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -609.595784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.595784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.595784 (E_RNA)
where:
Base-Base interactions energy: -427.613
where: short stacking energy: -174.315
Base-Backbone interact. energy: 0.046
local terms energy: -182.029300
where:
bonds (distance) C4'-P energy: -46.169
bonds (distance) P-C4' energy: -42.153
flat angles C4'-P-C4' energy: -41.966
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -34.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -617.924481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.924481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.924481 (E_RNA)
where:
Base-Base interactions energy: -403.421
where: short stacking energy: -182.050
Base-Backbone interact. energy: -0.913
local terms energy: -213.590772
where:
bonds (distance) C4'-P energy: -36.575
bonds (distance) P-C4' energy: -51.028
flat angles C4'-P-C4' energy: -47.987
flat angles P-C4'-P energy: -25.250
tors. eta vs tors. theta energy: -52.752
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: 3
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -543.821491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.821491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.821491 (E_RNA)
where:
Base-Base interactions energy: -357.222
where: short stacking energy: -155.756
Base-Backbone interact. energy: -0.972
local terms energy: -185.628082
where:
bonds (distance) C4'-P energy: -35.945
bonds (distance) P-C4' energy: -42.413
flat angles C4'-P-C4' energy: -44.800
flat angles P-C4'-P energy: -30.311
tors. eta vs tors. theta energy: -32.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -473.477394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.477394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.477394 (E_RNA)
where:
Base-Base interactions energy: -283.484
where: short stacking energy: -133.013
Base-Backbone interact. energy: 2.691
local terms energy: -192.683807
where:
bonds (distance) C4'-P energy: -41.683
bonds (distance) P-C4' energy: -51.600
flat angles C4'-P-C4' energy: -44.452
flat angles P-C4'-P energy: -26.073
tors. eta vs tors. theta energy: -28.876
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: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -282.671087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.671087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.671087 (E_RNA)
where:
Base-Base interactions energy: -147.746
where: short stacking energy: -80.999
Base-Backbone interact. energy: 1.965
local terms energy: -136.890184
where:
bonds (distance) C4'-P energy: -43.613
bonds (distance) P-C4' energy: -44.231
flat angles C4'-P-C4' energy: -28.180
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: -0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -862.404884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.404884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.404884 (E_RNA)
where:
Base-Base interactions energy: -608.533
where: short stacking energy: -254.258
Base-Backbone interact. energy: -2.102
local terms energy: -251.769868
where:
bonds (distance) C4'-P energy: -49.256
bonds (distance) P-C4' energy: -49.223
flat angles C4'-P-C4' energy: -55.096
flat angles P-C4'-P energy: -38.006
tors. eta vs tors. theta energy: -60.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -833.966385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.966385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.966385 (E_RNA)
where:
Base-Base interactions energy: -576.019
where: short stacking energy: -260.924
Base-Backbone interact. energy: -0.717
local terms energy: -257.230435
where:
bonds (distance) C4'-P energy: -47.718
bonds (distance) P-C4' energy: -51.094
flat angles C4'-P-C4' energy: -49.853
flat angles P-C4'-P energy: -31.177
tors. eta vs tors. theta energy: -77.390
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: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -766.023325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.023325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.023325 (E_RNA)
where:
Base-Base interactions energy: -530.728
where: short stacking energy: -234.561
Base-Backbone interact. energy: -1.091
local terms energy: -234.203562
where:
bonds (distance) C4'-P energy: -42.562
bonds (distance) P-C4' energy: -47.333
flat angles C4'-P-C4' energy: -49.275
flat angles P-C4'-P energy: -30.831
tors. eta vs tors. theta energy: -64.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -806.844334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.844334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.844334 (E_RNA)
where:
Base-Base interactions energy: -571.941
where: short stacking energy: -209.711
Base-Backbone interact. energy: -1.475
local terms energy: -233.428421
where:
bonds (distance) C4'-P energy: -44.161
bonds (distance) P-C4' energy: -49.606
flat angles C4'-P-C4' energy: -50.571
flat angles P-C4'-P energy: -36.822
tors. eta vs tors. theta energy: -52.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -684.515370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.515370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.515370 (E_RNA)
where:
Base-Base interactions energy: -486.458
where: short stacking energy: -198.447
Base-Backbone interact. energy: -0.563
local terms energy: -197.494232
where:
bonds (distance) C4'-P energy: -38.907
bonds (distance) P-C4' energy: -34.431
flat angles C4'-P-C4' energy: -46.776
flat angles P-C4'-P energy: -32.767
tors. eta vs tors. theta energy: -44.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -597.768304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.768304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.768304 (E_RNA)
where:
Base-Base interactions energy: -389.889
where: short stacking energy: -168.542
Base-Backbone interact. energy: -1.453
local terms energy: -206.426287
where:
bonds (distance) C4'-P energy: -48.423
bonds (distance) P-C4' energy: -51.070
flat angles C4'-P-C4' energy: -48.920
flat angles P-C4'-P energy: -23.196
tors. eta vs tors. theta energy: -34.817
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: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -641.885906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.885906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.885906 (E_RNA)
where:
Base-Base interactions energy: -441.676
where: short stacking energy: -183.896
Base-Backbone interact. energy: 0.587
local terms energy: -200.796241
where:
bonds (distance) C4'-P energy: -43.216
bonds (distance) P-C4' energy: -37.579
flat angles C4'-P-C4' energy: -41.174
flat angles P-C4'-P energy: -32.330
tors. eta vs tors. theta energy: -46.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -498.962485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.962485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.962485 (E_RNA)
where:
Base-Base interactions energy: -318.292
where: short stacking energy: -157.611
Base-Backbone interact. energy: 0.141
local terms energy: -180.811510
where:
bonds (distance) C4'-P energy: -39.558
bonds (distance) P-C4' energy: -44.356
flat angles C4'-P-C4' energy: -43.101
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -36.421
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: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -493.879367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.879367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.879367 (E_RNA)
where:
Base-Base interactions energy: -303.036
where: short stacking energy: -140.514
Base-Backbone interact. energy: -0.432
local terms energy: -190.412088
where:
bonds (distance) C4'-P energy: -46.153
bonds (distance) P-C4' energy: -44.721
flat angles C4'-P-C4' energy: -45.046
flat angles P-C4'-P energy: -22.175
tors. eta vs tors. theta energy: -32.317
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: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -286.459401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.459401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.459401 (E_RNA)
where:
Base-Base interactions energy: -147.284
where: short stacking energy: -80.776
Base-Backbone interact. energy: -0.694
local terms energy: -138.481795
where:
bonds (distance) C4'-P energy: -34.455
bonds (distance) P-C4' energy: -38.565
flat angles C4'-P-C4' energy: -44.562
flat angles P-C4'-P energy: -22.868
tors. eta vs tors. theta energy: 1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -856.781832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.781832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.781832 (E_RNA)
where:
Base-Base interactions energy: -590.181
where: short stacking energy: -279.353
Base-Backbone interact. energy: -1.358
local terms energy: -265.242444
where:
bonds (distance) C4'-P energy: -42.418
bonds (distance) P-C4' energy: -50.949
flat angles C4'-P-C4' energy: -55.339
flat angles P-C4'-P energy: -36.600
tors. eta vs tors. theta energy: -79.936
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: 238
Temperature: 0.950000
Total energy: -835.258482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.258482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.258482 (E_RNA)
where:
Base-Base interactions energy: -583.239
where: short stacking energy: -231.816
Base-Backbone interact. energy: -1.283
local terms energy: -250.736066
where:
bonds (distance) C4'-P energy: -51.079
bonds (distance) P-C4' energy: -47.782
flat angles C4'-P-C4' energy: -51.187
flat angles P-C4'-P energy: -38.876
tors. eta vs tors. theta energy: -61.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -795.357442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.357442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.357442 (E_RNA)
where:
Base-Base interactions energy: -558.751
where: short stacking energy: -220.088
Base-Backbone interact. energy: -0.777
local terms energy: -235.829582
where:
bonds (distance) C4'-P energy: -43.711
bonds (distance) P-C4' energy: -49.711
flat angles C4'-P-C4' energy: -53.063
flat angles P-C4'-P energy: -34.731
tors. eta vs tors. theta energy: -54.613
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: 238
Temperature: 1.050000
Total energy: -758.673719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.673719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.673719 (E_RNA)
where:
Base-Base interactions energy: -517.094
where: short stacking energy: -236.269
Base-Backbone interact. energy: -0.650
local terms energy: -240.929376
where:
bonds (distance) C4'-P energy: -48.062
bonds (distance) P-C4' energy: -44.781
flat angles C4'-P-C4' energy: -46.404
flat angles P-C4'-P energy: -34.588
tors. eta vs tors. theta energy: -67.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -692.432986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.432986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.432986 (E_RNA)
where:
Base-Base interactions energy: -482.235
where: short stacking energy: -197.458
Base-Backbone interact. energy: -1.227
local terms energy: -208.970976
where:
bonds (distance) C4'-P energy: -39.431
bonds (distance) P-C4' energy: -41.407
flat angles C4'-P-C4' energy: -48.790
flat angles P-C4'-P energy: -34.949
tors. eta vs tors. theta energy: -44.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -630.120423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.120423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.120423 (E_RNA)
where:
Base-Base interactions energy: -425.154
where: short stacking energy: -184.644
Base-Backbone interact. energy: -0.937
local terms energy: -204.029265
where:
bonds (distance) C4'-P energy: -46.200
bonds (distance) P-C4' energy: -42.427
flat angles C4'-P-C4' energy: -43.394
flat angles P-C4'-P energy: -30.575
tors. eta vs tors. theta energy: -41.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -665.182021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.182021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.182021 (E_RNA)
where:
Base-Base interactions energy: -460.638
where: short stacking energy: -197.321
Base-Backbone interact. energy: -1.995
local terms energy: -202.549001
where:
bonds (distance) C4'-P energy: -37.558
bonds (distance) P-C4' energy: -50.750
flat angles C4'-P-C4' energy: -45.552
flat angles P-C4'-P energy: -20.228
tors. eta vs tors. theta energy: -48.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -463.779998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.779998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.779998 (E_RNA)
where:
Base-Base interactions energy: -292.294
where: short stacking energy: -128.381
Base-Backbone interact. energy: -0.283
local terms energy: -171.203241
where:
bonds (distance) C4'-P energy: -40.235
bonds (distance) P-C4' energy: -43.814
flat angles C4'-P-C4' energy: -42.802
flat angles P-C4'-P energy: -28.514
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -510.557051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.557051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.557051 (E_RNA)
where:
Base-Base interactions energy: -330.252
where: short stacking energy: -154.519
Base-Backbone interact. energy: 3.002
local terms energy: -183.307004
where:
bonds (distance) C4'-P energy: -36.140
bonds (distance) P-C4' energy: -45.754
flat angles C4'-P-C4' energy: -36.245
flat angles P-C4'-P energy: -30.431
tors. eta vs tors. theta energy: -34.737
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: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -301.647240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.647240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.647240 (E_RNA)
where:
Base-Base interactions energy: -149.785
where: short stacking energy: -76.083
Base-Backbone interact. energy: -0.327
local terms energy: -151.534835
where:
bonds (distance) C4'-P energy: -40.090
bonds (distance) P-C4' energy: -49.286
flat angles C4'-P-C4' energy: -45.377
flat angles P-C4'-P energy: -27.492
tors. eta vs tors. theta energy: 10.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -841.427921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.427921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.427921 (E_RNA)
where:
Base-Base interactions energy: -582.029
where: short stacking energy: -260.649
Base-Backbone interact. energy: -1.309
local terms energy: -258.090856
where:
bonds (distance) C4'-P energy: -39.946
bonds (distance) P-C4' energy: -45.636
flat angles C4'-P-C4' energy: -55.267
flat angles P-C4'-P energy: -40.036
tors. eta vs tors. theta energy: -77.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -836.849369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.849369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.849369 (E_RNA)
where:
Base-Base interactions energy: -589.163
where: short stacking energy: -221.186
Base-Backbone interact. energy: 0.156
local terms energy: -247.843148
where:
bonds (distance) C4'-P energy: -42.057
bonds (distance) P-C4' energy: -50.590
flat angles C4'-P-C4' energy: -58.596
flat angles P-C4'-P energy: -34.733
tors. eta vs tors. theta energy: -61.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -787.284691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.284691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.284691 (E_RNA)
where:
Base-Base interactions energy: -560.933
where: short stacking energy: -207.091
Base-Backbone interact. energy: -1.833
local terms energy: -224.518637
where:
bonds (distance) C4'-P energy: -40.876
bonds (distance) P-C4' energy: -45.531
flat angles C4'-P-C4' energy: -56.640
flat angles P-C4'-P energy: -29.052
tors. eta vs tors. theta energy: -52.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -773.349916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.349916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.349916 (E_RNA)
where:
Base-Base interactions energy: -520.189
where: short stacking energy: -248.925
Base-Backbone interact. energy: -1.016
local terms energy: -252.144626
where:
bonds (distance) C4'-P energy: -40.668
bonds (distance) P-C4' energy: -46.886
flat angles C4'-P-C4' energy: -54.765
flat angles P-C4'-P energy: -30.578
tors. eta vs tors. theta energy: -79.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -706.139873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.139873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.139873 (E_RNA)
where:
Base-Base interactions energy: -486.002
where: short stacking energy: -213.754
Base-Backbone interact. energy: -1.946
local terms energy: -218.191429
where:
bonds (distance) C4'-P energy: -39.631
bonds (distance) P-C4' energy: -48.492
flat angles C4'-P-C4' energy: -44.275
flat angles P-C4'-P energy: -28.989
tors. eta vs tors. theta energy: -56.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -656.122012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.122012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.122012 (E_RNA)
where:
Base-Base interactions energy: -451.570
where: short stacking energy: -184.108
Base-Backbone interact. energy: -3.311
local terms energy: -201.241246
where:
bonds (distance) C4'-P energy: -42.718
bonds (distance) P-C4' energy: -44.231
flat angles C4'-P-C4' energy: -47.106
flat angles P-C4'-P energy: -25.320
tors. eta vs tors. theta energy: -41.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -628.749513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.749513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.749513 (E_RNA)
where:
Base-Base interactions energy: -423.956
where: short stacking energy: -197.709
Base-Backbone interact. energy: -0.960
local terms energy: -203.833525
where:
bonds (distance) C4'-P energy: -32.266
bonds (distance) P-C4' energy: -46.875
flat angles C4'-P-C4' energy: -48.558
flat angles P-C4'-P energy: -27.454
tors. eta vs tors. theta energy: -48.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -522.622221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.622221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.622221 (E_RNA)
where:
Base-Base interactions energy: -331.204
where: short stacking energy: -151.853
Base-Backbone interact. energy: -0.875
local terms energy: -190.542595
where:
bonds (distance) C4'-P energy: -43.127
bonds (distance) P-C4' energy: -41.198
flat angles C4'-P-C4' energy: -41.245
flat angles P-C4'-P energy: -31.421
tors. eta vs tors. theta energy: -33.552
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: 9, replica: 3
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -407.481908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.481908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.481908 (E_RNA)
where:
Base-Base interactions energy: -247.713
where: short stacking energy: -120.241
Base-Backbone interact. energy: -0.165
local terms energy: -159.603871
where:
bonds (distance) C4'-P energy: -36.207
bonds (distance) P-C4' energy: -42.370
flat angles C4'-P-C4' energy: -33.850
flat angles P-C4'-P energy: -23.912
tors. eta vs tors. theta energy: -23.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -330.046952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.046952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.046952 (E_RNA)
where:
Base-Base interactions energy: -170.405
where: short stacking energy: -75.111
Base-Backbone interact. energy: -0.901
local terms energy: -158.740691
where:
bonds (distance) C4'-P energy: -43.478
bonds (distance) P-C4' energy: -40.570
flat angles C4'-P-C4' energy: -45.481
flat angles P-C4'-P energy: -25.588
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -854.584491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.584491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.584491 (E_RNA)
where:
Base-Base interactions energy: -589.903
where: short stacking energy: -237.876
Base-Backbone interact. energy: 0.517
local terms energy: -265.198455
where:
bonds (distance) C4'-P energy: -52.741
bonds (distance) P-C4' energy: -54.192
flat angles C4'-P-C4' energy: -55.516
flat angles P-C4'-P energy: -36.362
tors. eta vs tors. theta energy: -66.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -839.654033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.654033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.654033 (E_RNA)
where:
Base-Base interactions energy: -577.613
where: short stacking energy: -255.793
Base-Backbone interact. energy: -0.617
local terms energy: -261.424028
where:
bonds (distance) C4'-P energy: -54.154
bonds (distance) P-C4' energy: -45.948
flat angles C4'-P-C4' energy: -56.582
flat angles P-C4'-P energy: -34.051
tors. eta vs tors. theta energy: -70.690
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: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -767.578657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.578657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.578657 (E_RNA)
where:
Base-Base interactions energy: -513.261
where: short stacking energy: -224.040
Base-Backbone interact. energy: -0.677
local terms energy: -253.640243
where:
bonds (distance) C4'-P energy: -53.150
bonds (distance) P-C4' energy: -53.772
flat angles C4'-P-C4' energy: -50.105
flat angles P-C4'-P energy: -37.406
tors. eta vs tors. theta energy: -59.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -758.573613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.573613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.573613 (E_RNA)
where:
Base-Base interactions energy: -541.045
where: short stacking energy: -225.418
Base-Backbone interact. energy: 0.771
local terms energy: -218.299484
where:
bonds (distance) C4'-P energy: -33.303
bonds (distance) P-C4' energy: -50.005
flat angles C4'-P-C4' energy: -49.379
flat angles P-C4'-P energy: -32.733
tors. eta vs tors. theta energy: -52.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -690.884511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.884511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.884511 (E_RNA)
where:
Base-Base interactions energy: -456.185
where: short stacking energy: -210.571
Base-Backbone interact. energy: -2.484
local terms energy: -232.215957
where:
bonds (distance) C4'-P energy: -48.172
bonds (distance) P-C4' energy: -47.513
flat angles C4'-P-C4' energy: -47.102
flat angles P-C4'-P energy: -36.253
tors. eta vs tors. theta energy: -53.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -647.864979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.864979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.864979 (E_RNA)
where:
Base-Base interactions energy: -434.532
where: short stacking energy: -183.702
Base-Backbone interact. energy: 0.317
local terms energy: -213.650211
where:
bonds (distance) C4'-P energy: -42.577
bonds (distance) P-C4' energy: -40.274
flat angles C4'-P-C4' energy: -51.246
flat angles P-C4'-P energy: -34.278
tors. eta vs tors. theta energy: -45.275
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: 7, replica: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -571.776389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.776389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.776389 (E_RNA)
where:
Base-Base interactions energy: -380.704
where: short stacking energy: -180.989
Base-Backbone interact. energy: -0.865
local terms energy: -190.206853
where:
bonds (distance) C4'-P energy: -33.513
bonds (distance) P-C4' energy: -34.791
flat angles C4'-P-C4' energy: -42.167
flat angles P-C4'-P energy: -32.391
tors. eta vs tors. theta energy: -47.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -616.149919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.149919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.149919 (E_RNA)
where:
Base-Base interactions energy: -428.451
where: short stacking energy: -178.160
Base-Backbone interact. energy: 0.173
local terms energy: -187.871412
where:
bonds (distance) C4'-P energy: -30.821
bonds (distance) P-C4' energy: -41.321
flat angles C4'-P-C4' energy: -39.411
flat angles P-C4'-P energy: -34.142
tors. eta vs tors. theta energy: -42.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -363.476478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.476478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.476478 (E_RNA)
where:
Base-Base interactions energy: -196.719
where: short stacking energy: -101.821
Base-Backbone interact. energy: -2.216
local terms energy: -164.541145
where:
bonds (distance) C4'-P energy: -47.559
bonds (distance) P-C4' energy: -44.092
flat angles C4'-P-C4' energy: -38.451
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -341.042422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.042422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.042422 (E_RNA)
where:
Base-Base interactions energy: -203.193
where: short stacking energy: -101.878
Base-Backbone interact. energy: 1.483
local terms energy: -139.332569
where:
bonds (distance) C4'-P energy: -34.824
bonds (distance) P-C4' energy: -46.641
flat angles C4'-P-C4' energy: -30.637
flat angles P-C4'-P energy: -23.410
tors. eta vs tors. theta energy: -3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -867.950769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.950769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.950769 (E_RNA)
where:
Base-Base interactions energy: -616.553
where: short stacking energy: -245.317
Base-Backbone interact. energy: -0.629
local terms energy: -250.768008
where:
bonds (distance) C4'-P energy: -42.344
bonds (distance) P-C4' energy: -52.397
flat angles C4'-P-C4' energy: -54.906
flat angles P-C4'-P energy: -36.485
tors. eta vs tors. theta energy: -64.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -843.139202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.139202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.139202 (E_RNA)
where:
Base-Base interactions energy: -575.068
where: short stacking energy: -270.273
Base-Backbone interact. energy: -1.221
local terms energy: -266.850342
where:
bonds (distance) C4'-P energy: -53.351
bonds (distance) P-C4' energy: -43.664
flat angles C4'-P-C4' energy: -51.671
flat angles P-C4'-P energy: -38.561
tors. eta vs tors. theta energy: -79.602
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: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -788.799631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.799631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.799631 (E_RNA)
where:
Base-Base interactions energy: -534.375
where: short stacking energy: -247.368
Base-Backbone interact. energy: -1.224
local terms energy: -253.200263
where:
bonds (distance) C4'-P energy: -46.775
bonds (distance) P-C4' energy: -46.535
flat angles C4'-P-C4' energy: -55.596
flat angles P-C4'-P energy: -31.013
tors. eta vs tors. theta energy: -73.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -765.344944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.344944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.344944 (E_RNA)
where:
Base-Base interactions energy: -554.709
where: short stacking energy: -227.227
Base-Backbone interact. energy: 5.330
local terms energy: -215.965740
where:
bonds (distance) C4'-P energy: -43.438
bonds (distance) P-C4' energy: -40.676
flat angles C4'-P-C4' energy: -50.240
flat angles P-C4'-P energy: -30.016
tors. eta vs tors. theta energy: -51.595
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: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -682.004428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.004428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.004428 (E_RNA)
where:
Base-Base interactions energy: -462.443
where: short stacking energy: -187.340
Base-Backbone interact. energy: -0.155
local terms energy: -219.406788
where:
bonds (distance) C4'-P energy: -38.283
bonds (distance) P-C4' energy: -48.653
flat angles C4'-P-C4' energy: -48.346
flat angles P-C4'-P energy: -27.085
tors. eta vs tors. theta energy: -57.040
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: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -580.021423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.021423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.021423 (E_RNA)
where:
Base-Base interactions energy: -358.336
where: short stacking energy: -154.693
Base-Backbone interact. energy: -1.010
local terms energy: -220.675436
where:
bonds (distance) C4'-P energy: -53.041
bonds (distance) P-C4' energy: -46.546
flat angles C4'-P-C4' energy: -43.797
flat angles P-C4'-P energy: -34.268
tors. eta vs tors. theta energy: -43.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -631.877326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.877326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.877326 (E_RNA)
where:
Base-Base interactions energy: -445.502
where: short stacking energy: -175.176
Base-Backbone interact. energy: 0.766
local terms energy: -187.141332
where:
bonds (distance) C4'-P energy: -26.276
bonds (distance) P-C4' energy: -42.573
flat angles C4'-P-C4' energy: -46.498
flat angles P-C4'-P energy: -28.671
tors. eta vs tors. theta energy: -43.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -580.433459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.433459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.433459 (E_RNA)
where:
Base-Base interactions energy: -394.334
where: short stacking energy: -175.521
Base-Backbone interact. energy: 1.560
local terms energy: -187.659442
where:
bonds (distance) C4'-P energy: -38.598
bonds (distance) P-C4' energy: -40.932
flat angles C4'-P-C4' energy: -44.807
flat angles P-C4'-P energy: -24.028
tors. eta vs tors. theta energy: -39.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -426.759388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.759388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.759388 (E_RNA)
where:
Base-Base interactions energy: -252.177
where: short stacking energy: -137.503
Base-Backbone interact. energy: -1.409
local terms energy: -173.173270
where:
bonds (distance) C4'-P energy: -47.236
bonds (distance) P-C4' energy: -44.395
flat angles C4'-P-C4' energy: -38.865
flat angles P-C4'-P energy: -22.211
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -353.100565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.100565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.100565 (E_RNA)
where:
Base-Base interactions energy: -201.942
where: short stacking energy: -107.363
Base-Backbone interact. energy: 0.356
local terms energy: -151.514462
where:
bonds (distance) C4'-P energy: -42.215
bonds (distance) P-C4' energy: -46.245
flat angles C4'-P-C4' energy: -35.878
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -5.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -888.295936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.295936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.295936 (E_RNA)
where:
Base-Base interactions energy: -625.818
where: short stacking energy: -255.267
Base-Backbone interact. energy: -1.988
local terms energy: -260.490100
where:
bonds (distance) C4'-P energy: -48.641
bonds (distance) P-C4' energy: -49.449
flat angles C4'-P-C4' energy: -56.809
flat angles P-C4'-P energy: -37.458
tors. eta vs tors. theta energy: -68.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -825.138905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.138905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.138905 (E_RNA)
where:
Base-Base interactions energy: -562.495
where: short stacking energy: -272.815
Base-Backbone interact. energy: -1.684
local terms energy: -260.960219
where:
bonds (distance) C4'-P energy: -45.289
bonds (distance) P-C4' energy: -50.200
flat angles C4'-P-C4' energy: -58.057
flat angles P-C4'-P energy: -28.002
tors. eta vs tors. theta energy: -79.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -792.769665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.769665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.769665 (E_RNA)
where:
Base-Base interactions energy: -574.250
where: short stacking energy: -213.502
Base-Backbone interact. energy: -0.984
local terms energy: -217.535013
where:
bonds (distance) C4'-P energy: -43.022
bonds (distance) P-C4' energy: -44.959
flat angles C4'-P-C4' energy: -46.578
flat angles P-C4'-P energy: -31.953
tors. eta vs tors. theta energy: -51.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -735.079666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.079666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.079666 (E_RNA)
where:
Base-Base interactions energy: -492.353
where: short stacking energy: -219.931
Base-Backbone interact. energy: -2.751
local terms energy: -239.976328
where:
bonds (distance) C4'-P energy: -46.229
bonds (distance) P-C4' energy: -49.202
flat angles C4'-P-C4' energy: -52.417
flat angles P-C4'-P energy: -32.672
tors. eta vs tors. theta energy: -59.457
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: 242
Temperature: 1.100000
Total energy: -703.536669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.536669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.536669 (E_RNA)
where:
Base-Base interactions energy: -467.160
where: short stacking energy: -192.853
Base-Backbone interact. energy: -0.457
local terms energy: -235.918764
where:
bonds (distance) C4'-P energy: -50.499
bonds (distance) P-C4' energy: -40.375
flat angles C4'-P-C4' energy: -52.206
flat angles P-C4'-P energy: -41.471
tors. eta vs tors. theta energy: -51.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -612.378636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.378636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.378636 (E_RNA)
where:
Base-Base interactions energy: -400.856
where: short stacking energy: -186.438
Base-Backbone interact. energy: -0.672
local terms energy: -210.850724
where:
bonds (distance) C4'-P energy: -35.249
bonds (distance) P-C4' energy: -44.065
flat angles C4'-P-C4' energy: -48.618
flat angles P-C4'-P energy: -32.562
tors. eta vs tors. theta energy: -50.357
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: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -632.177437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.177437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.177437 (E_RNA)
where:
Base-Base interactions energy: -433.074
where: short stacking energy: -192.143
Base-Backbone interact. energy: 0.612
local terms energy: -199.715293
where:
bonds (distance) C4'-P energy: -34.799
bonds (distance) P-C4' energy: -41.482
flat angles C4'-P-C4' energy: -39.244
flat angles P-C4'-P energy: -33.243
tors. eta vs tors. theta energy: -50.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -596.317187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.317187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.317187 (E_RNA)
where:
Base-Base interactions energy: -399.742
where: short stacking energy: -175.245
Base-Backbone interact. energy: 1.041
local terms energy: -197.616276
where:
bonds (distance) C4'-P energy: -35.986
bonds (distance) P-C4' energy: -51.657
flat angles C4'-P-C4' energy: -43.911
flat angles P-C4'-P energy: -28.677
tors. eta vs tors. theta energy: -37.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -348.834381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.834381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.834381 (E_RNA)
where:
Base-Base interactions energy: -211.978
where: short stacking energy: -102.067
Base-Backbone interact. energy: 1.120
local terms energy: -137.976634
where:
bonds (distance) C4'-P energy: -36.498
bonds (distance) P-C4' energy: -32.261
flat angles C4'-P-C4' energy: -36.436
flat angles P-C4'-P energy: -25.988
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -373.207157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.207157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.207157 (E_RNA)
where:
Base-Base interactions energy: -213.889
where: short stacking energy: -109.947
Base-Backbone interact. energy: 0.015
local terms energy: -159.333372
where:
bonds (distance) C4'-P energy: -46.657
bonds (distance) P-C4' energy: -36.466
flat angles C4'-P-C4' energy: -37.324
flat angles P-C4'-P energy: -26.070
tors. eta vs tors. theta energy: -12.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -861.038796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.038796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.038796 (E_RNA)
where:
Base-Base interactions energy: -619.613
where: short stacking energy: -253.426
Base-Backbone interact. energy: -2.049
local terms energy: -239.377361
where:
bonds (distance) C4'-P energy: -29.982
bonds (distance) P-C4' energy: -48.838
flat angles C4'-P-C4' energy: -53.339
flat angles P-C4'-P energy: -42.363
tors. eta vs tors. theta energy: -64.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -834.955039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.955039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.955039 (E_RNA)
where:
Base-Base interactions energy: -578.947
where: short stacking energy: -255.376
Base-Backbone interact. energy: -0.317
local terms energy: -255.690585
where:
bonds (distance) C4'-P energy: -43.447
bonds (distance) P-C4' energy: -47.975
flat angles C4'-P-C4' energy: -54.147
flat angles P-C4'-P energy: -32.922
tors. eta vs tors. theta energy: -77.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -798.823804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.823804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.823804 (E_RNA)
where:
Base-Base interactions energy: -583.172
where: short stacking energy: -225.825
Base-Backbone interact. energy: 2.708
local terms energy: -218.360256
where:
bonds (distance) C4'-P energy: -40.522
bonds (distance) P-C4' energy: -46.170
flat angles C4'-P-C4' energy: -50.961
flat angles P-C4'-P energy: -33.058
tors. eta vs tors. theta energy: -47.649
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: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -732.926440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.926440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.926440 (E_RNA)
where:
Base-Base interactions energy: -503.381
where: short stacking energy: -211.805
Base-Backbone interact. energy: -2.843
local terms energy: -226.701835
where:
bonds (distance) C4'-P energy: -40.277
bonds (distance) P-C4' energy: -46.557
flat angles C4'-P-C4' energy: -44.781
flat angles P-C4'-P energy: -36.528
tors. eta vs tors. theta energy: -58.560
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: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -722.798932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.798932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.798932 (E_RNA)
where:
Base-Base interactions energy: -496.089
where: short stacking energy: -215.565
Base-Backbone interact. energy: -0.514
local terms energy: -226.196440
where:
bonds (distance) C4'-P energy: -46.489
bonds (distance) P-C4' energy: -43.293
flat angles C4'-P-C4' energy: -44.608
flat angles P-C4'-P energy: -30.627
tors. eta vs tors. theta energy: -61.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -583.298739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.298739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.298739 (E_RNA)
where:
Base-Base interactions energy: -359.580
where: short stacking energy: -163.020
Base-Backbone interact. energy: -0.834
local terms energy: -222.884932
where:
bonds (distance) C4'-P energy: -49.799
bonds (distance) P-C4' energy: -45.643
flat angles C4'-P-C4' energy: -46.835
flat angles P-C4'-P energy: -35.195
tors. eta vs tors. theta energy: -45.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -603.819445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.819445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.819445 (E_RNA)
where:
Base-Base interactions energy: -398.241
where: short stacking energy: -171.289
Base-Backbone interact. energy: -1.075
local terms energy: -204.503972
where:
bonds (distance) C4'-P energy: -37.265
bonds (distance) P-C4' energy: -44.560
flat angles C4'-P-C4' energy: -50.638
flat angles P-C4'-P energy: -35.208
tors. eta vs tors. theta energy: -36.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -573.196652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.196652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.196652 (E_RNA)
where:
Base-Base interactions energy: -378.494
where: short stacking energy: -164.259
Base-Backbone interact. energy: -0.313
local terms energy: -194.389947
where:
bonds (distance) C4'-P energy: -46.010
bonds (distance) P-C4' energy: -49.175
flat angles C4'-P-C4' energy: -45.677
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -35.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -351.768674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.768674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.768674 (E_RNA)
where:
Base-Base interactions energy: -191.853
where: short stacking energy: -94.352
Base-Backbone interact. energy: -1.365
local terms energy: -158.551325
where:
bonds (distance) C4'-P energy: -42.051
bonds (distance) P-C4' energy: -40.774
flat angles C4'-P-C4' energy: -38.304
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -14.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -352.568066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.568066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.568066 (E_RNA)
where:
Base-Base interactions energy: -191.237
where: short stacking energy: -97.854
Base-Backbone interact. energy: -0.419
local terms energy: -160.912135
where:
bonds (distance) C4'-P energy: -43.806
bonds (distance) P-C4' energy: -44.872
flat angles C4'-P-C4' energy: -40.280
flat angles P-C4'-P energy: -22.511
tors. eta vs tors. theta energy: -9.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -845.246882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.246882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.246882 (E_RNA)
where:
Base-Base interactions energy: -581.710
where: short stacking energy: -263.802
Base-Backbone interact. energy: -0.477
local terms energy: -263.059970
where:
bonds (distance) C4'-P energy: -49.088
bonds (distance) P-C4' energy: -42.984
flat angles C4'-P-C4' energy: -48.219
flat angles P-C4'-P energy: -40.450
tors. eta vs tors. theta energy: -82.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -855.676421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.676421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.676421 (E_RNA)
where:
Base-Base interactions energy: -609.655
where: short stacking energy: -249.228
Base-Backbone interact. energy: 1.419
local terms energy: -247.440246
where:
bonds (distance) C4'-P energy: -49.474
bonds (distance) P-C4' energy: -45.895
flat angles C4'-P-C4' energy: -54.293
flat angles P-C4'-P energy: -34.671
tors. eta vs tors. theta energy: -63.107
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: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -791.678469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.678469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.678469 (E_RNA)
where:
Base-Base interactions energy: -550.682
where: short stacking energy: -223.520
Base-Backbone interact. energy: -1.654
local terms energy: -239.341741
where:
bonds (distance) C4'-P energy: -47.908
bonds (distance) P-C4' energy: -48.611
flat angles C4'-P-C4' energy: -53.098
flat angles P-C4'-P energy: -36.392
tors. eta vs tors. theta energy: -53.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -715.006537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.006537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.006537 (E_RNA)
where:
Base-Base interactions energy: -486.206
where: short stacking energy: -206.770
Base-Backbone interact. energy: -2.725
local terms energy: -226.075467
where:
bonds (distance) C4'-P energy: -38.813
bonds (distance) P-C4' energy: -43.773
flat angles C4'-P-C4' energy: -51.319
flat angles P-C4'-P energy: -34.353
tors. eta vs tors. theta energy: -57.817
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: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -719.283930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.283930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.283930 (E_RNA)
where:
Base-Base interactions energy: -477.449
where: short stacking energy: -226.471
Base-Backbone interact. energy: -0.216
local terms energy: -241.619179
where:
bonds (distance) C4'-P energy: -36.895
bonds (distance) P-C4' energy: -46.489
flat angles C4'-P-C4' energy: -49.151
flat angles P-C4'-P energy: -37.645
tors. eta vs tors. theta energy: -71.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -594.794060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.794060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.794060 (E_RNA)
where:
Base-Base interactions energy: -377.768
where: short stacking energy: -180.887
Base-Backbone interact. energy: -0.884
local terms energy: -216.142493
where:
bonds (distance) C4'-P energy: -36.968
bonds (distance) P-C4' energy: -53.024
flat angles C4'-P-C4' energy: -54.176
flat angles P-C4'-P energy: -30.860
tors. eta vs tors. theta energy: -41.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -589.929780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.929780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.929780 (E_RNA)
where:
Base-Base interactions energy: -394.344
where: short stacking energy: -185.158
Base-Backbone interact. energy: -0.546
local terms energy: -195.039855
where:
bonds (distance) C4'-P energy: -33.622
bonds (distance) P-C4' energy: -49.536
flat angles C4'-P-C4' energy: -40.919
flat angles P-C4'-P energy: -28.650
tors. eta vs tors. theta energy: -42.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -551.524507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.524507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.524507 (E_RNA)
where:
Base-Base interactions energy: -371.110
where: short stacking energy: -158.067
Base-Backbone interact. energy: -0.300
local terms energy: -180.115248
where:
bonds (distance) C4'-P energy: -49.321
bonds (distance) P-C4' energy: -34.055
flat angles C4'-P-C4' energy: -38.571
flat angles P-C4'-P energy: -22.649
tors. eta vs tors. theta energy: -35.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -356.820338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.820338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.820338 (E_RNA)
where:
Base-Base interactions energy: -198.023
where: short stacking energy: -89.553
Base-Backbone interact. energy: -0.330
local terms energy: -158.467998
where:
bonds (distance) C4'-P energy: -48.025
bonds (distance) P-C4' energy: -39.177
flat angles C4'-P-C4' energy: -38.109
flat angles P-C4'-P energy: -28.989
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -275.126456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.126456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.126456 (E_RNA)
where:
Base-Base interactions energy: -113.366
where: short stacking energy: -76.248
Base-Backbone interact. energy: 2.453
local terms energy: -164.214047
where:
bonds (distance) C4'-P energy: -56.044
bonds (distance) P-C4' energy: -38.459
flat angles C4'-P-C4' energy: -43.497
flat angles P-C4'-P energy: -19.969
tors. eta vs tors. theta energy: -6.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -858.679259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.679259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.679259 (E_RNA)
where:
Base-Base interactions energy: -581.958
where: short stacking energy: -276.978
Base-Backbone interact. energy: -0.289
local terms energy: -276.432159
where:
bonds (distance) C4'-P energy: -54.585
bonds (distance) P-C4' energy: -39.482
flat angles C4'-P-C4' energy: -58.334
flat angles P-C4'-P energy: -40.052
tors. eta vs tors. theta energy: -83.978
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: 10
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -853.113694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.113694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.113694 (E_RNA)
where:
Base-Base interactions energy: -611.770
where: short stacking energy: -248.874
Base-Backbone interact. energy: -2.464
local terms energy: -238.879663
where:
bonds (distance) C4'-P energy: -42.101
bonds (distance) P-C4' energy: -46.178
flat angles C4'-P-C4' energy: -55.004
flat angles P-C4'-P energy: -33.160
tors. eta vs tors. theta energy: -62.437
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: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -801.330427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.330427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.330427 (E_RNA)
where:
Base-Base interactions energy: -568.713
where: short stacking energy: -225.607
Base-Backbone interact. energy: -0.662
local terms energy: -231.955528
where:
bonds (distance) C4'-P energy: -42.879
bonds (distance) P-C4' energy: -52.197
flat angles C4'-P-C4' energy: -50.110
flat angles P-C4'-P energy: -32.351
tors. eta vs tors. theta energy: -54.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -743.806754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.806754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.806754 (E_RNA)
where:
Base-Base interactions energy: -505.142
where: short stacking energy: -240.891
Base-Backbone interact. energy: -0.185
local terms energy: -238.479481
where:
bonds (distance) C4'-P energy: -43.199
bonds (distance) P-C4' energy: -40.616
flat angles C4'-P-C4' energy: -52.682
flat angles P-C4'-P energy: -32.229
tors. eta vs tors. theta energy: -69.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -677.153289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.153289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.153289 (E_RNA)
where:
Base-Base interactions energy: -464.353
where: short stacking energy: -207.477
Base-Backbone interact. energy: -0.700
local terms energy: -212.100223
where:
bonds (distance) C4'-P energy: -46.922
bonds (distance) P-C4' energy: -37.686
flat angles C4'-P-C4' energy: -51.753
flat angles P-C4'-P energy: -22.852
tors. eta vs tors. theta energy: -52.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -626.529540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.529540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.529540 (E_RNA)
where:
Base-Base interactions energy: -418.787
where: short stacking energy: -194.788
Base-Backbone interact. energy: 0.103
local terms energy: -207.845716
where:
bonds (distance) C4'-P energy: -41.219
bonds (distance) P-C4' energy: -40.575
flat angles C4'-P-C4' energy: -45.733
flat angles P-C4'-P energy: -34.622
tors. eta vs tors. theta energy: -45.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -592.784726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.784726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.784726 (E_RNA)
where:
Base-Base interactions energy: -384.071
where: short stacking energy: -180.119
Base-Backbone interact. energy: -1.047
local terms energy: -207.667512
where:
bonds (distance) C4'-P energy: -42.128
bonds (distance) P-C4' energy: -42.973
flat angles C4'-P-C4' energy: -51.834
flat angles P-C4'-P energy: -21.911
tors. eta vs tors. theta energy: -48.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -607.519910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.519910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.519910 (E_RNA)
where:
Base-Base interactions energy: -391.066
where: short stacking energy: -181.392
Base-Backbone interact. energy: -0.309
local terms energy: -216.145107
where:
bonds (distance) C4'-P energy: -42.698
bonds (distance) P-C4' energy: -46.573
flat angles C4'-P-C4' energy: -48.095
flat angles P-C4'-P energy: -30.567
tors. eta vs tors. theta energy: -48.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -357.960077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.960077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.960077 (E_RNA)
where:
Base-Base interactions energy: -195.473
where: short stacking energy: -112.653
Base-Backbone interact. energy: -0.784
local terms energy: -161.703452
where:
bonds (distance) C4'-P energy: -38.084
bonds (distance) P-C4' energy: -41.324
flat angles C4'-P-C4' energy: -44.647
flat angles P-C4'-P energy: -23.788
tors. eta vs tors. theta energy: -13.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -210.393932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.393932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.393932 (E_RNA)
where:
Base-Base interactions energy: -91.166
where: short stacking energy: -71.375
Base-Backbone interact. energy: 2.302
local terms energy: -121.529571
where:
bonds (distance) C4'-P energy: -32.239
bonds (distance) P-C4' energy: -37.611
flat angles C4'-P-C4' energy: -28.617
flat angles P-C4'-P energy: -23.578
tors. eta vs tors. theta energy: 0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -863.616478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.616478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.616478 (E_RNA)
where:
Base-Base interactions energy: -605.189
where: short stacking energy: -236.998
Base-Backbone interact. energy: -1.431
local terms energy: -256.997066
where:
bonds (distance) C4'-P energy: -49.792
bonds (distance) P-C4' energy: -54.074
flat angles C4'-P-C4' energy: -56.092
flat angles P-C4'-P energy: -34.447
tors. eta vs tors. theta energy: -62.591
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: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -834.131721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.131721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.131721 (E_RNA)
where:
Base-Base interactions energy: -571.528
where: short stacking energy: -269.067
Base-Backbone interact. energy: -0.605
local terms energy: -261.999070
where:
bonds (distance) C4'-P energy: -47.216
bonds (distance) P-C4' energy: -46.607
flat angles C4'-P-C4' energy: -52.503
flat angles P-C4'-P energy: -35.838
tors. eta vs tors. theta energy: -79.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -794.029713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.029713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.029713 (E_RNA)
where:
Base-Base interactions energy: -576.989
where: short stacking energy: -226.084
Base-Backbone interact. energy: 1.954
local terms energy: -218.995302
where:
bonds (distance) C4'-P energy: -37.230
bonds (distance) P-C4' energy: -48.207
flat angles C4'-P-C4' energy: -49.363
flat angles P-C4'-P energy: -29.521
tors. eta vs tors. theta energy: -54.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -785.378170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.378170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.378170 (E_RNA)
where:
Base-Base interactions energy: -536.355
where: short stacking energy: -245.759
Base-Backbone interact. energy: -0.189
local terms energy: -248.834336
where:
bonds (distance) C4'-P energy: -39.724
bonds (distance) P-C4' energy: -43.605
flat angles C4'-P-C4' energy: -54.688
flat angles P-C4'-P energy: -38.506
tors. eta vs tors. theta energy: -72.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -726.164633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.164633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.164633 (E_RNA)
where:
Base-Base interactions energy: -501.593
where: short stacking energy: -212.708
Base-Backbone interact. energy: -0.655
local terms energy: -223.917159
where:
bonds (distance) C4'-P energy: -38.041
bonds (distance) P-C4' energy: -47.534
flat angles C4'-P-C4' energy: -46.045
flat angles P-C4'-P energy: -35.260
tors. eta vs tors. theta energy: -57.037
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: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -608.970747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.970747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.970747 (E_RNA)
where:
Base-Base interactions energy: -389.852
where: short stacking energy: -182.281
Base-Backbone interact. energy: -0.557
local terms energy: -218.561863
where:
bonds (distance) C4'-P energy: -47.719
bonds (distance) P-C4' energy: -43.972
flat angles C4'-P-C4' energy: -45.407
flat angles P-C4'-P energy: -26.757
tors. eta vs tors. theta energy: -54.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -609.858483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.858483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.858483 (E_RNA)
where:
Base-Base interactions energy: -404.226
where: short stacking energy: -166.138
Base-Backbone interact. energy: 0.393
local terms energy: -206.025913
where:
bonds (distance) C4'-P energy: -43.864
bonds (distance) P-C4' energy: -48.817
flat angles C4'-P-C4' energy: -37.381
flat angles P-C4'-P energy: -34.409
tors. eta vs tors. theta energy: -41.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -552.063544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.063544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.063544 (E_RNA)
where:
Base-Base interactions energy: -348.937
where: short stacking energy: -167.816
Base-Backbone interact. energy: -0.377
local terms energy: -202.749163
where:
bonds (distance) C4'-P energy: -41.303
bonds (distance) P-C4' energy: -40.525
flat angles C4'-P-C4' energy: -48.149
flat angles P-C4'-P energy: -28.141
tors. eta vs tors. theta energy: -44.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -390.226202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.226202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.226202 (E_RNA)
where:
Base-Base interactions energy: -254.886
where: short stacking energy: -130.171
Base-Backbone interact. energy: 4.376
local terms energy: -139.716001
where:
bonds (distance) C4'-P energy: -36.832
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -38.340
flat angles P-C4'-P energy: -21.834
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -218.747628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.747628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.747628 (E_RNA)
where:
Base-Base interactions energy: -72.615
where: short stacking energy: -65.232
Base-Backbone interact. energy: -0.505
local terms energy: -145.627529
where:
bonds (distance) C4'-P energy: -42.289
bonds (distance) P-C4' energy: -45.087
flat angles C4'-P-C4' energy: -27.501
flat angles P-C4'-P energy: -26.856
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -862.153200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.153200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.153200 (E_RNA)
where:
Base-Base interactions energy: -625.193
where: short stacking energy: -253.278
Base-Backbone interact. energy: -2.491
local terms energy: -234.469493
where:
bonds (distance) C4'-P energy: -37.849
bonds (distance) P-C4' energy: -50.582
flat angles C4'-P-C4' energy: -51.150
flat angles P-C4'-P energy: -32.183
tors. eta vs tors. theta energy: -62.705
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: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -827.304134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.304134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.304134 (E_RNA)
where:
Base-Base interactions energy: -569.734
where: short stacking energy: -270.585
Base-Backbone interact. energy: -0.605
local terms energy: -256.964679
where:
bonds (distance) C4'-P energy: -45.859
bonds (distance) P-C4' energy: -42.527
flat angles C4'-P-C4' energy: -56.991
flat angles P-C4'-P energy: -31.697
tors. eta vs tors. theta energy: -79.890
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: 3, replica: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -818.338276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.338276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.338276 (E_RNA)
where:
Base-Base interactions energy: -578.411
where: short stacking energy: -235.317
Base-Backbone interact. energy: -0.902
local terms energy: -239.025214
where:
bonds (distance) C4'-P energy: -46.335
bonds (distance) P-C4' energy: -50.790
flat angles C4'-P-C4' energy: -47.277
flat angles P-C4'-P energy: -35.484
tors. eta vs tors. theta energy: -59.139
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: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -786.629294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.629294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.629294 (E_RNA)
where:
Base-Base interactions energy: -518.022
where: short stacking energy: -251.184
Base-Backbone interact. energy: -0.154
local terms energy: -268.452507
where:
bonds (distance) C4'-P energy: -47.154
bonds (distance) P-C4' energy: -46.685
flat angles C4'-P-C4' energy: -60.546
flat angles P-C4'-P energy: -34.393
tors. eta vs tors. theta energy: -79.675
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: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -699.370100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.370100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.370100 (E_RNA)
where:
Base-Base interactions energy: -494.232
where: short stacking energy: -219.464
Base-Backbone interact. energy: -0.384
local terms energy: -204.754105
where:
bonds (distance) C4'-P energy: -40.383
bonds (distance) P-C4' energy: -42.808
flat angles C4'-P-C4' energy: -47.877
flat angles P-C4'-P energy: -27.766
tors. eta vs tors. theta energy: -45.920
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: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -635.896443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.896443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.896443 (E_RNA)
where:
Base-Base interactions energy: -421.144
where: short stacking energy: -184.748
Base-Backbone interact. energy: -0.834
local terms energy: -213.918773
where:
bonds (distance) C4'-P energy: -38.978
bonds (distance) P-C4' energy: -42.960
flat angles C4'-P-C4' energy: -49.847
flat angles P-C4'-P energy: -29.528
tors. eta vs tors. theta energy: -52.605
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: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -614.290898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.290898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.290898 (E_RNA)
where:
Base-Base interactions energy: -404.165
where: short stacking energy: -167.686
Base-Backbone interact. energy: -0.922
local terms energy: -209.203793
where:
bonds (distance) C4'-P energy: -46.895
bonds (distance) P-C4' energy: -44.201
flat angles C4'-P-C4' energy: -45.185
flat angles P-C4'-P energy: -30.556
tors. eta vs tors. theta energy: -42.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -554.939630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.939630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.939630 (E_RNA)
where:
Base-Base interactions energy: -368.046
where: short stacking energy: -154.953
Base-Backbone interact. energy: 0.186
local terms energy: -187.080007
where:
bonds (distance) C4'-P energy: -41.408
bonds (distance) P-C4' energy: -41.463
flat angles C4'-P-C4' energy: -40.648
flat angles P-C4'-P energy: -23.911
tors. eta vs tors. theta energy: -39.651
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: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -358.989761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.989761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.989761 (E_RNA)
where:
Base-Base interactions energy: -214.726
where: short stacking energy: -103.813
Base-Backbone interact. energy: -1.789
local terms energy: -142.475295
where:
bonds (distance) C4'-P energy: -46.921
bonds (distance) P-C4' energy: -38.392
flat angles C4'-P-C4' energy: -31.487
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -11.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -222.272306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.272306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.272306 (E_RNA)
where:
Base-Base interactions energy: -77.862
where: short stacking energy: -73.532
Base-Backbone interact. energy: -2.265
local terms energy: -142.145854
where:
bonds (distance) C4'-P energy: -41.081
bonds (distance) P-C4' energy: -43.882
flat angles C4'-P-C4' energy: -29.732
flat angles P-C4'-P energy: -28.352
tors. eta vs tors. theta energy: 0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -859.766992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.766992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.766992 (E_RNA)
where:
Base-Base interactions energy: -609.682
where: short stacking energy: -238.217
Base-Backbone interact. energy: 2.333
local terms energy: -252.418037
where:
bonds (distance) C4'-P energy: -44.499
bonds (distance) P-C4' energy: -46.413
flat angles C4'-P-C4' energy: -56.855
flat angles P-C4'-P energy: -41.916
tors. eta vs tors. theta energy: -62.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -815.282901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.282901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.282901 (E_RNA)
where:
Base-Base interactions energy: -561.329
where: short stacking energy: -263.525
Base-Backbone interact. energy: -1.322
local terms energy: -252.631414
where:
bonds (distance) C4'-P energy: -55.021
bonds (distance) P-C4' energy: -45.733
flat angles C4'-P-C4' energy: -42.232
flat angles P-C4'-P energy: -31.180
tors. eta vs tors. theta energy: -78.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -812.540213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.540213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.540213 (E_RNA)
where:
Base-Base interactions energy: -575.144
where: short stacking energy: -232.102
Base-Backbone interact. energy: -1.066
local terms energy: -236.330511
where:
bonds (distance) C4'-P energy: -51.152
bonds (distance) P-C4' energy: -45.069
flat angles C4'-P-C4' energy: -46.853
flat angles P-C4'-P energy: -34.858
tors. eta vs tors. theta energy: -58.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -766.869086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.869086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.869086 (E_RNA)
where:
Base-Base interactions energy: -527.887
where: short stacking energy: -241.830
Base-Backbone interact. energy: -0.586
local terms energy: -238.396417
where:
bonds (distance) C4'-P energy: -45.245
bonds (distance) P-C4' energy: -48.029
flat angles C4'-P-C4' energy: -53.467
flat angles P-C4'-P energy: -23.033
tors. eta vs tors. theta energy: -68.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -659.358367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.358367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.358367 (E_RNA)
where:
Base-Base interactions energy: -423.572
where: short stacking energy: -197.898
Base-Backbone interact. energy: -1.485
local terms energy: -234.301966
where:
bonds (distance) C4'-P energy: -50.904
bonds (distance) P-C4' energy: -46.495
flat angles C4'-P-C4' energy: -50.848
flat angles P-C4'-P energy: -31.968
tors. eta vs tors. theta energy: -54.087
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: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -671.662942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.662942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.662942 (E_RNA)
where:
Base-Base interactions energy: -464.708
where: short stacking energy: -190.498
Base-Backbone interact. energy: 1.338
local terms energy: -208.293577
where:
bonds (distance) C4'-P energy: -46.713
bonds (distance) P-C4' energy: -48.563
flat angles C4'-P-C4' energy: -45.916
flat angles P-C4'-P energy: -21.861
tors. eta vs tors. theta energy: -45.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -610.600146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.600146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.600146 (E_RNA)
where:
Base-Base interactions energy: -396.289
where: short stacking energy: -169.704
Base-Backbone interact. energy: -0.748
local terms energy: -213.563136
where:
bonds (distance) C4'-P energy: -40.543
bonds (distance) P-C4' energy: -41.650
flat angles C4'-P-C4' energy: -47.314
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -53.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -546.939447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.939447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.939447 (E_RNA)
where:
Base-Base interactions energy: -367.851
where: short stacking energy: -180.902
Base-Backbone interact. energy: -0.378
local terms energy: -178.710565
where:
bonds (distance) C4'-P energy: -35.199
bonds (distance) P-C4' energy: -35.030
flat angles C4'-P-C4' energy: -44.693
flat angles P-C4'-P energy: -25.705
tors. eta vs tors. theta energy: -38.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -309.899928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.899928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.899928 (E_RNA)
where:
Base-Base interactions energy: -162.359
where: short stacking energy: -85.367
Base-Backbone interact. energy: 1.330
local terms energy: -148.870453
where:
bonds (distance) C4'-P energy: -37.490
bonds (distance) P-C4' energy: -44.454
flat angles C4'-P-C4' energy: -32.219
flat angles P-C4'-P energy: -27.344
tors. eta vs tors. theta energy: -7.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -220.364648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.364648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.364648 (E_RNA)
where:
Base-Base interactions energy: -72.235
where: short stacking energy: -69.058
Base-Backbone interact. energy: 0.557
local terms energy: -148.686564
where:
bonds (distance) C4'-P energy: -40.428
bonds (distance) P-C4' energy: -48.746
flat angles C4'-P-C4' energy: -44.681
flat angles P-C4'-P energy: -13.467
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: 249
Temperature: 0.900000
Total energy: -853.277331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.277331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.277331 (E_RNA)
where:
Base-Base interactions energy: -600.063
where: short stacking energy: -229.495
Base-Backbone interact. energy: -0.434
local terms energy: -252.780656
where:
bonds (distance) C4'-P energy: -49.138
bonds (distance) P-C4' energy: -47.211
flat angles C4'-P-C4' energy: -57.932
flat angles P-C4'-P energy: -37.426
tors. eta vs tors. theta energy: -61.075
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: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -818.883706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.883706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.883706 (E_RNA)
where:
Base-Base interactions energy: -565.565
where: short stacking energy: -252.753
Base-Backbone interact. energy: -0.277
local terms energy: -253.041517
where:
bonds (distance) C4'-P energy: -50.961
bonds (distance) P-C4' energy: -50.909
flat angles C4'-P-C4' energy: -46.635
flat angles P-C4'-P energy: -37.257
tors. eta vs tors. theta energy: -67.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -796.453107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.453107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.453107 (E_RNA)
where:
Base-Base interactions energy: -556.705
where: short stacking energy: -216.817
Base-Backbone interact. energy: -0.628
local terms energy: -239.120377
where:
bonds (distance) C4'-P energy: -41.386
bonds (distance) P-C4' energy: -54.798
flat angles C4'-P-C4' energy: -51.565
flat angles P-C4'-P energy: -35.816
tors. eta vs tors. theta energy: -55.555
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: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -775.934376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.934376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.934376 (E_RNA)
where:
Base-Base interactions energy: -515.129
where: short stacking energy: -228.193
Base-Backbone interact. energy: -0.271
local terms energy: -260.533808
where:
bonds (distance) C4'-P energy: -50.465
bonds (distance) P-C4' energy: -48.516
flat angles C4'-P-C4' energy: -46.622
flat angles P-C4'-P energy: -45.600
tors. eta vs tors. theta energy: -69.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -655.880236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.880236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.880236 (E_RNA)
where:
Base-Base interactions energy: -447.077
where: short stacking energy: -203.616
Base-Backbone interact. energy: -1.129
local terms energy: -207.673244
where:
bonds (distance) C4'-P energy: -40.291
bonds (distance) P-C4' energy: -37.819
flat angles C4'-P-C4' energy: -40.029
flat angles P-C4'-P energy: -34.667
tors. eta vs tors. theta energy: -54.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -667.341756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.341756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.341756 (E_RNA)
where:
Base-Base interactions energy: -453.222
where: short stacking energy: -184.606
Base-Backbone interact. energy: 1.482
local terms energy: -215.601597
where:
bonds (distance) C4'-P energy: -40.350
bonds (distance) P-C4' energy: -41.132
flat angles C4'-P-C4' energy: -47.440
flat angles P-C4'-P energy: -36.374
tors. eta vs tors. theta energy: -50.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -621.239927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.239927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.239927 (E_RNA)
where:
Base-Base interactions energy: -431.115
where: short stacking energy: -196.453
Base-Backbone interact. energy: 0.718
local terms energy: -190.842357
where:
bonds (distance) C4'-P energy: -35.946
bonds (distance) P-C4' energy: -43.803
flat angles C4'-P-C4' energy: -40.756
flat angles P-C4'-P energy: -27.883
tors. eta vs tors. theta energy: -42.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -534.598266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.598266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.598266 (E_RNA)
where:
Base-Base interactions energy: -339.182
where: short stacking energy: -157.794
Base-Backbone interact. energy: -0.831
local terms energy: -194.584700
where:
bonds (distance) C4'-P energy: -43.430
bonds (distance) P-C4' energy: -39.169
flat angles C4'-P-C4' energy: -47.426
flat angles P-C4'-P energy: -29.061
tors. eta vs tors. theta energy: -35.498
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: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -290.724875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.724875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.724875 (E_RNA)
where:
Base-Base interactions energy: -158.100
where: short stacking energy: -98.106
Base-Backbone interact. energy: 3.256
local terms energy: -135.881419
where:
bonds (distance) C4'-P energy: -39.491
bonds (distance) P-C4' energy: -40.136
flat angles C4'-P-C4' energy: -29.771
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -224.052923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.052923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.052923 (E_RNA)
where:
Base-Base interactions energy: -81.681
where: short stacking energy: -71.375
Base-Backbone interact. energy: -0.648
local terms energy: -141.724107
where:
bonds (distance) C4'-P energy: -35.921
bonds (distance) P-C4' energy: -47.040
flat angles C4'-P-C4' energy: -34.759
flat angles P-C4'-P energy: -25.888
tors. eta vs tors. theta energy: 1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -829.724100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.724100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.724100 (E_RNA)
where:
Base-Base interactions energy: -569.228
where: short stacking energy: -245.292
Base-Backbone interact. energy: -1.025
local terms energy: -259.470653
where:
bonds (distance) C4'-P energy: -47.282
bonds (distance) P-C4' energy: -43.764
flat angles C4'-P-C4' energy: -52.305
flat angles P-C4'-P energy: -44.080
tors. eta vs tors. theta energy: -72.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -856.732546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.732546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.732546 (E_RNA)
where:
Base-Base interactions energy: -601.849
where: short stacking energy: -256.200
Base-Backbone interact. energy: -0.396
local terms energy: -254.487385
where:
bonds (distance) C4'-P energy: -43.418
bonds (distance) P-C4' energy: -52.262
flat angles C4'-P-C4' energy: -56.028
flat angles P-C4'-P energy: -36.008
tors. eta vs tors. theta energy: -66.771
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: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -780.195878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.195878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.195878 (E_RNA)
where:
Base-Base interactions energy: -553.116
where: short stacking energy: -231.222
Base-Backbone interact. energy: -0.669
local terms energy: -226.410516
where:
bonds (distance) C4'-P energy: -47.561
bonds (distance) P-C4' energy: -47.119
flat angles C4'-P-C4' energy: -50.317
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -58.331
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: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -735.876383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.876383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.876383 (E_RNA)
where:
Base-Base interactions energy: -495.296
where: short stacking energy: -215.993
Base-Backbone interact. energy: 0.951
local terms energy: -241.531983
where:
bonds (distance) C4'-P energy: -49.311
bonds (distance) P-C4' energy: -48.612
flat angles C4'-P-C4' energy: -49.865
flat angles P-C4'-P energy: -31.787
tors. eta vs tors. theta energy: -61.957
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: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -656.579800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.579800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.579800 (E_RNA)
where:
Base-Base interactions energy: -431.841
where: short stacking energy: -191.442
Base-Backbone interact. energy: 0.159
local terms energy: -224.897260
where:
bonds (distance) C4'-P energy: -44.178
bonds (distance) P-C4' energy: -52.164
flat angles C4'-P-C4' energy: -50.608
flat angles P-C4'-P energy: -28.477
tors. eta vs tors. theta energy: -49.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -679.878313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.878313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.878313 (E_RNA)
where:
Base-Base interactions energy: -458.396
where: short stacking energy: -197.307
Base-Backbone interact. energy: -1.783
local terms energy: -219.699953
where:
bonds (distance) C4'-P energy: -47.198
bonds (distance) P-C4' energy: -45.786
flat angles C4'-P-C4' energy: -51.188
flat angles P-C4'-P energy: -23.387
tors. eta vs tors. theta energy: -52.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -616.156767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.156767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.156767 (E_RNA)
where:
Base-Base interactions energy: -429.155
where: short stacking energy: -179.402
Base-Backbone interact. energy: 0.567
local terms energy: -187.568600
where:
bonds (distance) C4'-P energy: -45.843
bonds (distance) P-C4' energy: -34.594
flat angles C4'-P-C4' energy: -46.837
flat angles P-C4'-P energy: -21.888
tors. eta vs tors. theta energy: -38.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -544.889478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.889478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.889478 (E_RNA)
where:
Base-Base interactions energy: -347.216
where: short stacking energy: -165.800
Base-Backbone interact. energy: -1.116
local terms energy: -196.557045
where:
bonds (distance) C4'-P energy: -41.975
bonds (distance) P-C4' energy: -43.646
flat angles C4'-P-C4' energy: -44.288
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -45.528
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: 9, replica: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -313.406965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.406965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.406965 (E_RNA)
where:
Base-Base interactions energy: -156.498
where: short stacking energy: -98.065
Base-Backbone interact. energy: -1.619
local terms energy: -155.289420
where:
bonds (distance) C4'-P energy: -40.531
bonds (distance) P-C4' energy: -43.270
flat angles C4'-P-C4' energy: -35.778
flat angles P-C4'-P energy: -24.262
tors. eta vs tors. theta energy: -11.448
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: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -252.492424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.492424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.492424 (E_RNA)
where:
Base-Base interactions energy: -124.574
where: short stacking energy: -83.174
Base-Backbone interact. energy: 2.459
local terms energy: -130.377591
where:
bonds (distance) C4'-P energy: -35.359
bonds (distance) P-C4' energy: -37.247
flat angles C4'-P-C4' energy: -36.030
flat angles P-C4'-P energy: -25.833
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: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -850.410505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.410505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.410505 (E_RNA)
where:
Base-Base interactions energy: -590.801
where: short stacking energy: -271.744
Base-Backbone interact. energy: -1.034
local terms energy: -258.575281
where:
bonds (distance) C4'-P energy: -52.311
bonds (distance) P-C4' energy: -41.434
flat angles C4'-P-C4' energy: -50.370
flat angles P-C4'-P energy: -35.593
tors. eta vs tors. theta energy: -78.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -816.075452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.075452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.075452 (E_RNA)
where:
Base-Base interactions energy: -561.422
where: short stacking energy: -236.323
Base-Backbone interact. energy: -1.481
local terms energy: -253.173018
where:
bonds (distance) C4'-P energy: -46.739
bonds (distance) P-C4' energy: -49.083
flat angles C4'-P-C4' energy: -56.904
flat angles P-C4'-P energy: -36.807
tors. eta vs tors. theta energy: -63.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -821.587336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.587336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.587336 (E_RNA)
where:
Base-Base interactions energy: -576.141
where: short stacking energy: -241.284
Base-Backbone interact. energy: -2.275
local terms energy: -243.171709
where:
bonds (distance) C4'-P energy: -39.811
bonds (distance) P-C4' energy: -49.119
flat angles C4'-P-C4' energy: -50.436
flat angles P-C4'-P energy: -40.343
tors. eta vs tors. theta energy: -63.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -777.448684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.448684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.448684 (E_RNA)
where:
Base-Base interactions energy: -517.359
where: short stacking energy: -223.186
Base-Backbone interact. energy: -1.004
local terms energy: -259.085625
where:
bonds (distance) C4'-P energy: -50.245
bonds (distance) P-C4' energy: -43.026
flat angles C4'-P-C4' energy: -61.128
flat angles P-C4'-P energy: -37.010
tors. eta vs tors. theta energy: -67.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -650.442455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.442455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.442455 (E_RNA)
where:
Base-Base interactions energy: -434.089
where: short stacking energy: -197.328
Base-Backbone interact. energy: -0.424
local terms energy: -215.929433
where:
bonds (distance) C4'-P energy: -40.296
bonds (distance) P-C4' energy: -38.913
flat angles C4'-P-C4' energy: -53.783
flat angles P-C4'-P energy: -29.674
tors. eta vs tors. theta energy: -53.265
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: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -663.516645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.516645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.516645 (E_RNA)
where:
Base-Base interactions energy: -440.470
where: short stacking energy: -188.841
Base-Backbone interact. energy: -0.200
local terms energy: -222.846180
where:
bonds (distance) C4'-P energy: -46.155
bonds (distance) P-C4' energy: -46.627
flat angles C4'-P-C4' energy: -47.020
flat angles P-C4'-P energy: -33.352
tors. eta vs tors. theta energy: -49.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -657.308381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.308381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.308381 (E_RNA)
where:
Base-Base interactions energy: -446.577
where: short stacking energy: -182.416
Base-Backbone interact. energy: -1.147
local terms energy: -209.583811
where:
bonds (distance) C4'-P energy: -38.671
bonds (distance) P-C4' energy: -45.612
flat angles C4'-P-C4' energy: -48.494
flat angles P-C4'-P energy: -25.822
tors. eta vs tors. theta energy: -50.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -527.819396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.819396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.819396 (E_RNA)
where:
Base-Base interactions energy: -337.881
where: short stacking energy: -158.263
Base-Backbone interact. energy: -1.151
local terms energy: -188.786908
where:
bonds (distance) C4'-P energy: -43.967
bonds (distance) P-C4' energy: -37.467
flat angles C4'-P-C4' energy: -43.110
flat angles P-C4'-P energy: -30.755
tors. eta vs tors. theta energy: -33.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -290.661183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.661183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.661183 (E_RNA)
where:
Base-Base interactions energy: -151.511
where: short stacking energy: -102.626
Base-Backbone interact. energy: 0.890
local terms energy: -140.039700
where:
bonds (distance) C4'-P energy: -36.511
bonds (distance) P-C4' energy: -32.213
flat angles C4'-P-C4' energy: -36.550
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -16.585
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: 3
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -260.947445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.947445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.947445 (E_RNA)
where:
Base-Base interactions energy: -132.022
where: short stacking energy: -63.426
Base-Backbone interact. energy: 0.320
local terms energy: -129.245627
where:
bonds (distance) C4'-P energy: -36.609
bonds (distance) P-C4' energy: -34.464
flat angles C4'-P-C4' energy: -36.195
flat angles P-C4'-P energy: -23.676
tors. eta vs tors. theta energy: 1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -829.245030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.245030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.245030 (E_RNA)
where:
Base-Base interactions energy: -578.440
where: short stacking energy: -223.009
Base-Backbone interact. energy: -2.386
local terms energy: -248.419521
where:
bonds (distance) C4'-P energy: -53.205
bonds (distance) P-C4' energy: -51.443
flat angles C4'-P-C4' energy: -51.327
flat angles P-C4'-P energy: -40.961
tors. eta vs tors. theta energy: -51.484
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: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -827.684966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.684966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.684966 (E_RNA)
where:
Base-Base interactions energy: -565.102
where: short stacking energy: -259.958
Base-Backbone interact. energy: -0.808
local terms energy: -261.774284
where:
bonds (distance) C4'-P energy: -46.810
bonds (distance) P-C4' energy: -43.534
flat angles C4'-P-C4' energy: -57.406
flat angles P-C4'-P energy: -38.898
tors. eta vs tors. theta energy: -75.127
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: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -823.400364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.400364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.400364 (E_RNA)
where:
Base-Base interactions energy: -555.948
where: short stacking energy: -251.007
Base-Backbone interact. energy: -1.558
local terms energy: -265.894996
where:
bonds (distance) C4'-P energy: -48.938
bonds (distance) P-C4' energy: -58.173
flat angles C4'-P-C4' energy: -56.014
flat angles P-C4'-P energy: -26.906
tors. eta vs tors. theta energy: -75.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -809.611438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.611438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.611438 (E_RNA)
where:
Base-Base interactions energy: -579.183
where: short stacking energy: -234.200
Base-Backbone interact. energy: -2.226
local terms energy: -228.202595
where:
bonds (distance) C4'-P energy: -37.210
bonds (distance) P-C4' energy: -43.997
flat angles C4'-P-C4' energy: -51.295
flat angles P-C4'-P energy: -33.541
tors. eta vs tors. theta energy: -62.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -660.401858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.401858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.401858 (E_RNA)
where:
Base-Base interactions energy: -443.327
where: short stacking energy: -179.479
Base-Backbone interact. energy: -0.742
local terms energy: -216.333128
where:
bonds (distance) C4'-P energy: -41.309
bonds (distance) P-C4' energy: -41.165
flat angles C4'-P-C4' energy: -48.542
flat angles P-C4'-P energy: -38.190
tors. eta vs tors. theta energy: -47.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -655.906051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.906051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.906051 (E_RNA)
where:
Base-Base interactions energy: -422.569
where: short stacking energy: -184.684
Base-Backbone interact. energy: -0.594
local terms energy: -232.743704
where:
bonds (distance) C4'-P energy: -44.781
bonds (distance) P-C4' energy: -47.328
flat angles C4'-P-C4' energy: -49.973
flat angles P-C4'-P energy: -36.356
tors. eta vs tors. theta energy: -54.306
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: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -666.773553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.773553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.773553 (E_RNA)
where:
Base-Base interactions energy: -445.242
where: short stacking energy: -178.162
Base-Backbone interact. energy: -0.625
local terms energy: -220.906052
where:
bonds (distance) C4'-P energy: -51.493
bonds (distance) P-C4' energy: -41.086
flat angles C4'-P-C4' energy: -50.555
flat angles P-C4'-P energy: -28.815
tors. eta vs tors. theta energy: -48.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -547.360799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.360799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.360799 (E_RNA)
where:
Base-Base interactions energy: -349.172
where: short stacking energy: -158.417
Base-Backbone interact. energy: -0.684
local terms energy: -197.505109
where:
bonds (distance) C4'-P energy: -41.171
bonds (distance) P-C4' energy: -40.309
flat angles C4'-P-C4' energy: -41.281
flat angles P-C4'-P energy: -28.093
tors. eta vs tors. theta energy: -46.651
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: 3
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -272.432843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.432843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.432843 (E_RNA)
where:
Base-Base interactions energy: -128.627
where: short stacking energy: -77.002
Base-Backbone interact. energy: -0.215
local terms energy: -143.590904
where:
bonds (distance) C4'-P energy: -40.123
bonds (distance) P-C4' energy: -43.775
flat angles C4'-P-C4' energy: -38.259
flat angles P-C4'-P energy: -24.130
tors. eta vs tors. theta energy: 2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -284.412898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.412898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.412898 (E_RNA)
where:
Base-Base interactions energy: -140.230
where: short stacking energy: -90.731
Base-Backbone interact. energy: -0.965
local terms energy: -143.218013
where:
bonds (distance) C4'-P energy: -31.859
bonds (distance) P-C4' energy: -40.882
flat angles C4'-P-C4' energy: -41.705
flat angles P-C4'-P energy: -20.219
tors. eta vs tors. theta energy: -8.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -825.950223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.950223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.950223 (E_RNA)
where:
Base-Base interactions energy: -586.209
where: short stacking energy: -234.318
Base-Backbone interact. energy: -1.013
local terms energy: -238.728835
where:
bonds (distance) C4'-P energy: -43.776
bonds (distance) P-C4' energy: -46.783
flat angles C4'-P-C4' energy: -50.394
flat angles P-C4'-P energy: -35.697
tors. eta vs tors. theta energy: -62.079
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: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -820.947896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.947896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.947896 (E_RNA)
where:
Base-Base interactions energy: -560.244
where: short stacking energy: -255.645
Base-Backbone interact. energy: -0.464
local terms energy: -260.240666
where:
bonds (distance) C4'-P energy: -46.572
bonds (distance) P-C4' energy: -52.642
flat angles C4'-P-C4' energy: -54.344
flat angles P-C4'-P energy: -37.304
tors. eta vs tors. theta energy: -69.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -809.694761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.694761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.694761 (E_RNA)
where:
Base-Base interactions energy: -549.787
where: short stacking energy: -229.175
Base-Backbone interact. energy: -1.979
local terms energy: -257.928613
where:
bonds (distance) C4'-P energy: -49.478
bonds (distance) P-C4' energy: -53.130
flat angles C4'-P-C4' energy: -49.082
flat angles P-C4'-P energy: -37.924
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: 4, replica: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -784.254802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.254802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.254802 (E_RNA)
where:
Base-Base interactions energy: -563.102
where: short stacking energy: -221.260
Base-Backbone interact. energy: -1.228
local terms energy: -219.925153
where:
bonds (distance) C4'-P energy: -37.053
bonds (distance) P-C4' energy: -47.544
flat angles C4'-P-C4' energy: -51.152
flat angles P-C4'-P energy: -26.746
tors. eta vs tors. theta energy: -57.430
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: 8
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -668.502969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.502969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.502969 (E_RNA)
where:
Base-Base interactions energy: -455.882
where: short stacking energy: -198.110
Base-Backbone interact. energy: -0.468
local terms energy: -212.152996
where:
bonds (distance) C4'-P energy: -44.820
bonds (distance) P-C4' energy: -36.866
flat angles C4'-P-C4' energy: -43.213
flat angles P-C4'-P energy: -39.025
tors. eta vs tors. theta energy: -48.229
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: 5
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -647.827470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.827470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.827470 (E_RNA)
where:
Base-Base interactions energy: -448.397
where: short stacking energy: -179.319
Base-Backbone interact. energy: -2.383
local terms energy: -197.046909
where:
bonds (distance) C4'-P energy: -41.197
bonds (distance) P-C4' energy: -41.189
flat angles C4'-P-C4' energy: -39.205
flat angles P-C4'-P energy: -33.570
tors. eta vs tors. theta energy: -41.885
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: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -615.861922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.861922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.861922 (E_RNA)
where:
Base-Base interactions energy: -408.488
where: short stacking energy: -171.065
Base-Backbone interact. energy: -1.348
local terms energy: -206.026091
where:
bonds (distance) C4'-P energy: -44.664
bonds (distance) P-C4' energy: -40.056
flat angles C4'-P-C4' energy: -47.365
flat angles P-C4'-P energy: -28.591
tors. eta vs tors. theta energy: -45.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -517.717448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.717448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.717448 (E_RNA)
where:
Base-Base interactions energy: -336.860
where: short stacking energy: -161.210
Base-Backbone interact. energy: -0.955
local terms energy: -179.902989
where:
bonds (distance) C4'-P energy: -35.400
bonds (distance) P-C4' energy: -44.375
flat angles C4'-P-C4' energy: -37.999
flat angles P-C4'-P energy: -39.200
tors. eta vs tors. theta energy: -22.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -276.999173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.999173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.999173 (E_RNA)
where:
Base-Base interactions energy: -135.898
where: short stacking energy: -79.292
Base-Backbone interact. energy: -0.139
local terms energy: -140.961819
where:
bonds (distance) C4'-P energy: -48.201
bonds (distance) P-C4' energy: -33.079
flat angles C4'-P-C4' energy: -33.709
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -288.055786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.055786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.055786 (E_RNA)
where:
Base-Base interactions energy: -137.202
where: short stacking energy: -82.827
Base-Backbone interact. energy: 4.448
local terms energy: -155.301765
where:
bonds (distance) C4'-P energy: -46.291
bonds (distance) P-C4' energy: -49.606
flat angles C4'-P-C4' energy: -44.601
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: 4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -841.907556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.907556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.907556 (E_RNA)
where:
Base-Base interactions energy: -591.341
where: short stacking energy: -240.314
Base-Backbone interact. energy: -0.746
local terms energy: -249.820362
where:
bonds (distance) C4'-P energy: -54.676
bonds (distance) P-C4' energy: -44.702
flat angles C4'-P-C4' energy: -52.921
flat angles P-C4'-P energy: -35.151
tors. eta vs tors. theta energy: -62.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -808.365447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.365447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.365447 (E_RNA)
where:
Base-Base interactions energy: -550.932
where: short stacking energy: -259.525
Base-Backbone interact. energy: -0.487
local terms energy: -256.946204
where:
bonds (distance) C4'-P energy: -43.272
bonds (distance) P-C4' energy: -55.222
flat angles C4'-P-C4' energy: -58.597
flat angles P-C4'-P energy: -28.147
tors. eta vs tors. theta energy: -71.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -828.487297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.487297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.487297 (E_RNA)
where:
Base-Base interactions energy: -585.888
where: short stacking energy: -227.083
Base-Backbone interact. energy: -0.768
local terms energy: -241.831297
where:
bonds (distance) C4'-P energy: -48.640
bonds (distance) P-C4' energy: -49.610
flat angles C4'-P-C4' energy: -53.664
flat angles P-C4'-P energy: -31.446
tors. eta vs tors. theta energy: -58.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -794.599282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.599282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.599282 (E_RNA)
where:
Base-Base interactions energy: -543.839
where: short stacking energy: -239.585
Base-Backbone interact. energy: -0.802
local terms energy: -249.958282
where:
bonds (distance) C4'-P energy: -40.282
bonds (distance) P-C4' energy: -47.082
flat angles C4'-P-C4' energy: -52.639
flat angles P-C4'-P energy: -40.305
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: 5, replica: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -669.331708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.331708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.331708 (E_RNA)
where:
Base-Base interactions energy: -451.245
where: short stacking energy: -202.728
Base-Backbone interact. energy: -0.418
local terms energy: -217.668337
where:
bonds (distance) C4'-P energy: -44.082
bonds (distance) P-C4' energy: -43.183
flat angles C4'-P-C4' energy: -43.041
flat angles P-C4'-P energy: -31.641
tors. eta vs tors. theta energy: -55.722
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: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -640.929409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.929409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.929409 (E_RNA)
where:
Base-Base interactions energy: -437.664
where: short stacking energy: -191.656
Base-Backbone interact. energy: -0.395
local terms energy: -202.870400
where:
bonds (distance) C4'-P energy: -38.215
bonds (distance) P-C4' energy: -43.614
flat angles C4'-P-C4' energy: -49.689
flat angles P-C4'-P energy: -28.787
tors. eta vs tors. theta energy: -42.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -572.000700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.000700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.000700 (E_RNA)
where:
Base-Base interactions energy: -365.969
where: short stacking energy: -181.437
Base-Backbone interact. energy: -0.641
local terms energy: -205.390475
where:
bonds (distance) C4'-P energy: -36.352
bonds (distance) P-C4' energy: -50.033
flat angles C4'-P-C4' energy: -37.345
flat angles P-C4'-P energy: -27.946
tors. eta vs tors. theta energy: -53.715
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: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -576.130160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.130160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.130160 (E_RNA)
where:
Base-Base interactions energy: -388.639
where: short stacking energy: -170.417
Base-Backbone interact. energy: -2.609
local terms energy: -184.882288
where:
bonds (distance) C4'-P energy: -35.144
bonds (distance) P-C4' energy: -40.609
flat angles C4'-P-C4' energy: -42.082
flat angles P-C4'-P energy: -24.041
tors. eta vs tors. theta energy: -43.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -305.064407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.064407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.064407 (E_RNA)
where:
Base-Base interactions energy: -148.630
where: short stacking energy: -92.059
Base-Backbone interact. energy: -0.112
local terms energy: -156.322017
where:
bonds (distance) C4'-P energy: -44.830
bonds (distance) P-C4' energy: -39.204
flat angles C4'-P-C4' energy: -42.230
flat angles P-C4'-P energy: -27.008
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -292.858218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.858218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.858218 (E_RNA)
where:
Base-Base interactions energy: -139.544
where: short stacking energy: -92.222
Base-Backbone interact. energy: 0.756
local terms energy: -154.070243
where:
bonds (distance) C4'-P energy: -37.736
bonds (distance) P-C4' energy: -40.971
flat angles C4'-P-C4' energy: -44.150
flat angles P-C4'-P energy: -25.654
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -859.360251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.360251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.360251 (E_RNA)
where:
Base-Base interactions energy: -615.662
where: short stacking energy: -239.798
Base-Backbone interact. energy: -2.599
local terms energy: -241.099058
where:
bonds (distance) C4'-P energy: -52.291
bonds (distance) P-C4' energy: -46.428
flat angles C4'-P-C4' energy: -48.146
flat angles P-C4'-P energy: -37.999
tors. eta vs tors. theta energy: -56.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -857.110887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.110887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.110887 (E_RNA)
where:
Base-Base interactions energy: -605.498
where: short stacking energy: -225.195
Base-Backbone interact. energy: 1.366
local terms energy: -252.978233
where:
bonds (distance) C4'-P energy: -50.416
bonds (distance) P-C4' energy: -47.441
flat angles C4'-P-C4' energy: -54.497
flat angles P-C4'-P energy: -42.892
tors. eta vs tors. theta energy: -57.731
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: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -813.162761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.162761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.162761 (E_RNA)
where:
Base-Base interactions energy: -546.916
where: short stacking energy: -256.148
Base-Backbone interact. energy: -0.614
local terms energy: -265.633247
where:
bonds (distance) C4'-P energy: -45.023
bonds (distance) P-C4' energy: -47.199
flat angles C4'-P-C4' energy: -56.601
flat angles P-C4'-P energy: -42.357
tors. eta vs tors. theta energy: -74.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -756.423003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.423003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.423003 (E_RNA)
where:
Base-Base interactions energy: -507.460
where: short stacking energy: -234.526
Base-Backbone interact. energy: -0.636
local terms energy: -248.326850
where:
bonds (distance) C4'-P energy: -42.174
bonds (distance) P-C4' energy: -40.725
flat angles C4'-P-C4' energy: -52.845
flat angles P-C4'-P energy: -38.747
tors. eta vs tors. theta energy: -73.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -718.435692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.435692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.435692 (E_RNA)
where:
Base-Base interactions energy: -491.157
where: short stacking energy: -207.652
Base-Backbone interact. energy: -0.950
local terms energy: -226.328882
where:
bonds (distance) C4'-P energy: -39.864
bonds (distance) P-C4' energy: -48.194
flat angles C4'-P-C4' energy: -52.852
flat angles P-C4'-P energy: -28.721
tors. eta vs tors. theta energy: -56.697
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: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -638.143252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.143252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.143252 (E_RNA)
where:
Base-Base interactions energy: -432.182
where: short stacking energy: -177.464
Base-Backbone interact. energy: -1.573
local terms energy: -204.388759
where:
bonds (distance) C4'-P energy: -44.228
bonds (distance) P-C4' energy: -43.581
flat angles C4'-P-C4' energy: -49.854
flat angles P-C4'-P energy: -26.231
tors. eta vs tors. theta energy: -40.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -554.579267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.579267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.579267 (E_RNA)
where:
Base-Base interactions energy: -358.386
where: short stacking energy: -168.731
Base-Backbone interact. energy: -1.007
local terms energy: -195.186441
where:
bonds (distance) C4'-P energy: -44.432
bonds (distance) P-C4' energy: -35.435
flat angles C4'-P-C4' energy: -53.253
flat angles P-C4'-P energy: -24.467
tors. eta vs tors. theta energy: -37.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -578.331613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.331613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.331613 (E_RNA)
where:
Base-Base interactions energy: -385.835
where: short stacking energy: -166.772
Base-Backbone interact. energy: -1.568
local terms energy: -190.928982
where:
bonds (distance) C4'-P energy: -40.675
bonds (distance) P-C4' energy: -42.831
flat angles C4'-P-C4' energy: -40.292
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -47.121
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: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -296.218440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.218440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.218440 (E_RNA)
where:
Base-Base interactions energy: -134.050
where: short stacking energy: -90.782
Base-Backbone interact. energy: 0.451
local terms energy: -162.619506
where:
bonds (distance) C4'-P energy: -50.298
bonds (distance) P-C4' energy: -43.765
flat angles C4'-P-C4' energy: -46.296
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -11.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -321.449858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.449858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.449858 (E_RNA)
where:
Base-Base interactions energy: -187.039
where: short stacking energy: -100.430
Base-Backbone interact. energy: 4.691
local terms energy: -139.101900
where:
bonds (distance) C4'-P energy: -34.128
bonds (distance) P-C4' energy: -42.348
flat angles C4'-P-C4' energy: -37.047
flat angles P-C4'-P energy: -21.487
tors. eta vs tors. theta energy: -4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -849.758836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.758836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.758836 (E_RNA)
where:
Base-Base interactions energy: -603.634
where: short stacking energy: -235.552
Base-Backbone interact. energy: -0.087
local terms energy: -246.037506
where:
bonds (distance) C4'-P energy: -45.173
bonds (distance) P-C4' energy: -46.655
flat angles C4'-P-C4' energy: -49.225
flat angles P-C4'-P energy: -42.947
tors. eta vs tors. theta energy: -62.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -821.435670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.435670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.435670 (E_RNA)
where:
Base-Base interactions energy: -589.166
where: short stacking energy: -226.254
Base-Backbone interact. energy: -0.930
local terms energy: -231.340473
where:
bonds (distance) C4'-P energy: -44.434
bonds (distance) P-C4' energy: -51.990
flat angles C4'-P-C4' energy: -49.874
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -59.505
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: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -803.420645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.420645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.420645 (E_RNA)
where:
Base-Base interactions energy: -538.705
where: short stacking energy: -259.717
Base-Backbone interact. energy: -0.434
local terms energy: -264.281417
where:
bonds (distance) C4'-P energy: -51.242
bonds (distance) P-C4' energy: -42.887
flat angles C4'-P-C4' energy: -58.302
flat angles P-C4'-P energy: -38.363
tors. eta vs tors. theta energy: -73.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -804.697069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.697069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.697069 (E_RNA)
where:
Base-Base interactions energy: -550.405
where: short stacking energy: -254.376
Base-Backbone interact. energy: -0.824
local terms energy: -253.468895
where:
bonds (distance) C4'-P energy: -50.434
bonds (distance) P-C4' energy: -44.112
flat angles C4'-P-C4' energy: -54.272
flat angles P-C4'-P energy: -34.540
tors. eta vs tors. theta energy: -70.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -677.183427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.183427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.183427 (E_RNA)
where:
Base-Base interactions energy: -461.430
where: short stacking energy: -201.067
Base-Backbone interact. energy: -0.544
local terms energy: -215.209398
where:
bonds (distance) C4'-P energy: -45.447
bonds (distance) P-C4' energy: -49.594
flat angles C4'-P-C4' energy: -43.557
flat angles P-C4'-P energy: -28.172
tors. eta vs tors. theta energy: -48.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -678.596895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.596895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.596895 (E_RNA)
where:
Base-Base interactions energy: -443.414
where: short stacking energy: -191.494
Base-Backbone interact. energy: -1.200
local terms energy: -233.982963
where:
bonds (distance) C4'-P energy: -49.227
bonds (distance) P-C4' energy: -48.325
flat angles C4'-P-C4' energy: -49.760
flat angles P-C4'-P energy: -30.238
tors. eta vs tors. theta energy: -56.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -611.161229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.161229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.161229 (E_RNA)
where:
Base-Base interactions energy: -415.299
where: short stacking energy: -180.699
Base-Backbone interact. energy: -0.002
local terms energy: -195.860256
where:
bonds (distance) C4'-P energy: -31.078
bonds (distance) P-C4' energy: -43.030
flat angles C4'-P-C4' energy: -40.322
flat angles P-C4'-P energy: -28.469
tors. eta vs tors. theta energy: -52.961
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: 9
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -517.958343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.958343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.958343 (E_RNA)
where:
Base-Base interactions energy: -334.619
where: short stacking energy: -157.291
Base-Backbone interact. energy: 0.115
local terms energy: -183.454199
where:
bonds (distance) C4'-P energy: -32.729
bonds (distance) P-C4' energy: -39.444
flat angles C4'-P-C4' energy: -44.228
flat angles P-C4'-P energy: -37.989
tors. eta vs tors. theta energy: -29.065
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: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -317.700984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.700984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.700984 (E_RNA)
where:
Base-Base interactions energy: -172.868
where: short stacking energy: -96.583
Base-Backbone interact. energy: -0.065
local terms energy: -144.767758
where:
bonds (distance) C4'-P energy: -48.616
bonds (distance) P-C4' energy: -41.298
flat angles C4'-P-C4' energy: -31.022
flat angles P-C4'-P energy: -18.466
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -276.626119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.626119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.626119 (E_RNA)
where:
Base-Base interactions energy: -140.539
where: short stacking energy: -98.149
Base-Backbone interact. energy: -0.247
local terms energy: -135.840767
where:
bonds (distance) C4'-P energy: -31.907
bonds (distance) P-C4' energy: -41.613
flat angles C4'-P-C4' energy: -42.443
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -870.600478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.600478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.600478 (E_RNA)
where:
Base-Base interactions energy: -616.434
where: short stacking energy: -244.878
Base-Backbone interact. energy: -2.742
local terms energy: -251.425245
where:
bonds (distance) C4'-P energy: -50.419
bonds (distance) P-C4' energy: -49.546
flat angles C4'-P-C4' energy: -58.426
flat angles P-C4'-P energy: -37.956
tors. eta vs tors. theta energy: -55.080
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: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -839.833157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.833157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.833157 (E_RNA)
where:
Base-Base interactions energy: -577.133
where: short stacking energy: -254.434
Base-Backbone interact. energy: -0.584
local terms energy: -262.116033
where:
bonds (distance) C4'-P energy: -48.698
bonds (distance) P-C4' energy: -46.496
flat angles C4'-P-C4' energy: -56.333
flat angles P-C4'-P energy: -32.213
tors. eta vs tors. theta energy: -78.376
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: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -800.969692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.969692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.969692 (E_RNA)
where:
Base-Base interactions energy: -575.931
where: short stacking energy: -220.346
Base-Backbone interact. energy: -1.151
local terms energy: -223.887695
where:
bonds (distance) C4'-P energy: -50.010
bonds (distance) P-C4' energy: -45.892
flat angles C4'-P-C4' energy: -45.959
flat angles P-C4'-P energy: -26.957
tors. eta vs tors. theta energy: -55.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -782.880920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.880920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.880920 (E_RNA)
where:
Base-Base interactions energy: -535.687
where: short stacking energy: -249.429
Base-Backbone interact. energy: -0.873
local terms energy: -246.320780
where:
bonds (distance) C4'-P energy: -44.060
bonds (distance) P-C4' energy: -42.376
flat angles C4'-P-C4' energy: -53.796
flat angles P-C4'-P energy: -32.610
tors. eta vs tors. theta energy: -73.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -693.080506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.080506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.080506 (E_RNA)
where:
Base-Base interactions energy: -474.944
where: short stacking energy: -206.198
Base-Backbone interact. energy: -1.483
local terms energy: -216.654046
where:
bonds (distance) C4'-P energy: -43.942
bonds (distance) P-C4' energy: -44.929
flat angles C4'-P-C4' energy: -51.458
flat angles P-C4'-P energy: -25.772
tors. eta vs tors. theta energy: -50.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -670.666365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.666365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.666365 (E_RNA)
where:
Base-Base interactions energy: -441.761
where: short stacking energy: -184.032
Base-Backbone interact. energy: -3.120
local terms energy: -225.785455
where:
bonds (distance) C4'-P energy: -50.867
bonds (distance) P-C4' energy: -41.092
flat angles C4'-P-C4' energy: -48.445
flat angles P-C4'-P energy: -40.988
tors. eta vs tors. theta energy: -44.394
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: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -611.497634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.497634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.497634 (E_RNA)
where:
Base-Base interactions energy: -401.842
where: short stacking energy: -162.888
Base-Backbone interact. energy: -1.357
local terms energy: -208.298762
where:
bonds (distance) C4'-P energy: -43.116
bonds (distance) P-C4' energy: -48.329
flat angles C4'-P-C4' energy: -47.555
flat angles P-C4'-P energy: -29.684
tors. eta vs tors. theta energy: -39.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -519.942494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.942494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.942494 (E_RNA)
where:
Base-Base interactions energy: -319.678
where: short stacking energy: -151.217
Base-Backbone interact. energy: -0.518
local terms energy: -199.746460
where:
bonds (distance) C4'-P energy: -41.187
bonds (distance) P-C4' energy: -47.075
flat angles C4'-P-C4' energy: -50.437
flat angles P-C4'-P energy: -29.698
tors. eta vs tors. theta energy: -31.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -342.388352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.388352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.388352 (E_RNA)
where:
Base-Base interactions energy: -196.052
where: short stacking energy: -87.312
Base-Backbone interact. energy: -1.750
local terms energy: -144.586527
where:
bonds (distance) C4'-P energy: -32.823
bonds (distance) P-C4' energy: -36.857
flat angles C4'-P-C4' energy: -35.436
flat angles P-C4'-P energy: -30.360
tors. eta vs tors. theta energy: -9.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -282.640167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.640167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.640167 (E_RNA)
where:
Base-Base interactions energy: -137.131
where: short stacking energy: -94.531
Base-Backbone interact. energy: 1.218
local terms energy: -146.727406
where:
bonds (distance) C4'-P energy: -32.790
bonds (distance) P-C4' energy: -41.580
flat angles C4'-P-C4' energy: -42.269
flat angles P-C4'-P energy: -27.067
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -859.792056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.792056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.792056 (E_RNA)
where:
Base-Base interactions energy: -604.022
where: short stacking energy: -235.848
Base-Backbone interact. energy: -1.718
local terms energy: -254.051450
where:
bonds (distance) C4'-P energy: -45.637
bonds (distance) P-C4' energy: -49.376
flat angles C4'-P-C4' energy: -56.003
flat angles P-C4'-P energy: -44.223
tors. eta vs tors. theta energy: -58.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -850.471391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.471391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.471391 (E_RNA)
where:
Base-Base interactions energy: -570.386
where: short stacking energy: -270.968
Base-Backbone interact. energy: -0.093
local terms energy: -279.991930
where:
bonds (distance) C4'-P energy: -52.488
bonds (distance) P-C4' energy: -53.349
flat angles C4'-P-C4' energy: -56.949
flat angles P-C4'-P energy: -38.561
tors. eta vs tors. theta energy: -78.645
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: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -792.296589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.296589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.296589 (E_RNA)
where:
Base-Base interactions energy: -546.958
where: short stacking energy: -244.207
Base-Backbone interact. energy: -1.726
local terms energy: -243.612564
where:
bonds (distance) C4'-P energy: -40.797
bonds (distance) P-C4' energy: -50.440
flat angles C4'-P-C4' energy: -50.821
flat angles P-C4'-P energy: -30.364
tors. eta vs tors. theta energy: -71.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -782.501665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.501665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.501665 (E_RNA)
where:
Base-Base interactions energy: -557.912
where: short stacking energy: -223.820
Base-Backbone interact. energy: -0.168
local terms energy: -224.421544
where:
bonds (distance) C4'-P energy: -40.560
bonds (distance) P-C4' energy: -43.288
flat angles C4'-P-C4' energy: -54.746
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -49.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -720.534210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.534210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.534210 (E_RNA)
where:
Base-Base interactions energy: -492.355
where: short stacking energy: -230.058
Base-Backbone interact. energy: -1.351
local terms energy: -226.828709
where:
bonds (distance) C4'-P energy: -39.182
bonds (distance) P-C4' energy: -48.408
flat angles C4'-P-C4' energy: -50.618
flat angles P-C4'-P energy: -28.599
tors. eta vs tors. theta energy: -60.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -668.031100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.031100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.031100 (E_RNA)
where:
Base-Base interactions energy: -459.714
where: short stacking energy: -200.740
Base-Backbone interact. energy: -0.157
local terms energy: -208.159931
where:
bonds (distance) C4'-P energy: -35.108
bonds (distance) P-C4' energy: -46.410
flat angles C4'-P-C4' energy: -50.280
flat angles P-C4'-P energy: -26.364
tors. eta vs tors. theta energy: -49.997
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: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -614.786118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.786118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.786118 (E_RNA)
where:
Base-Base interactions energy: -412.363
where: short stacking energy: -181.014
Base-Backbone interact. energy: 2.273
local terms energy: -204.695639
where:
bonds (distance) C4'-P energy: -37.023
bonds (distance) P-C4' energy: -47.076
flat angles C4'-P-C4' energy: -43.266
flat angles P-C4'-P energy: -30.148
tors. eta vs tors. theta energy: -47.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -551.379540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.379540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.379540 (E_RNA)
where:
Base-Base interactions energy: -344.567
where: short stacking energy: -155.576
Base-Backbone interact. energy: -1.430
local terms energy: -205.383147
where:
bonds (distance) C4'-P energy: -47.333
bonds (distance) P-C4' energy: -47.400
flat angles C4'-P-C4' energy: -43.996
flat angles P-C4'-P energy: -30.938
tors. eta vs tors. theta energy: -35.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -366.193433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.193433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.193433 (E_RNA)
where:
Base-Base interactions energy: -218.910
where: short stacking energy: -111.449
Base-Backbone interact. energy: -1.352
local terms energy: -145.932344
where:
bonds (distance) C4'-P energy: -38.142
bonds (distance) P-C4' energy: -44.325
flat angles C4'-P-C4' energy: -36.198
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -293.028067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.028067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.028067 (E_RNA)
where:
Base-Base interactions energy: -147.906
where: short stacking energy: -79.026
Base-Backbone interact. energy: -1.254
local terms energy: -143.868392
where:
bonds (distance) C4'-P energy: -33.100
bonds (distance) P-C4' energy: -44.665
flat angles C4'-P-C4' energy: -29.959
flat angles P-C4'-P energy: -31.301
tors. eta vs tors. theta energy: -4.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -869.922564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.922564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.922564 (E_RNA)
where:
Base-Base interactions energy: -609.452
where: short stacking energy: -240.860
Base-Backbone interact. energy: -0.486
local terms energy: -259.984575
where:
bonds (distance) C4'-P energy: -44.877
bonds (distance) P-C4' energy: -51.015
flat angles C4'-P-C4' energy: -56.603
flat angles P-C4'-P energy: -40.500
tors. eta vs tors. theta energy: -66.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -834.782912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.782912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.782912 (E_RNA)
where:
Base-Base interactions energy: -558.681
where: short stacking energy: -255.290
Base-Backbone interact. energy: -1.781
local terms energy: -274.321211
where:
bonds (distance) C4'-P energy: -47.909
bonds (distance) P-C4' energy: -45.393
flat angles C4'-P-C4' energy: -58.027
flat angles P-C4'-P energy: -42.830
tors. eta vs tors. theta energy: -80.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -787.509243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.509243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.509243 (E_RNA)
where:
Base-Base interactions energy: -552.126
where: short stacking energy: -231.193
Base-Backbone interact. energy: -0.812
local terms energy: -234.571134
where:
bonds (distance) C4'-P energy: -50.202
bonds (distance) P-C4' energy: -42.998
flat angles C4'-P-C4' energy: -51.641
flat angles P-C4'-P energy: -26.406
tors. eta vs tors. theta energy: -63.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -783.367746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.367746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.367746 (E_RNA)
where:
Base-Base interactions energy: -569.669
where: short stacking energy: -207.497
Base-Backbone interact. energy: -1.548
local terms energy: -212.150852
where:
bonds (distance) C4'-P energy: -43.592
bonds (distance) P-C4' energy: -41.503
flat angles C4'-P-C4' energy: -50.227
flat angles P-C4'-P energy: -29.708
tors. eta vs tors. theta energy: -47.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -703.398231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.398231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.398231 (E_RNA)
where:
Base-Base interactions energy: -473.113
where: short stacking energy: -214.402
Base-Backbone interact. energy: -1.649
local terms energy: -228.636072
where:
bonds (distance) C4'-P energy: -44.027
bonds (distance) P-C4' energy: -43.401
flat angles C4'-P-C4' energy: -48.832
flat angles P-C4'-P energy: -36.372
tors. eta vs tors. theta energy: -56.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -660.619223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.619223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.619223 (E_RNA)
where:
Base-Base interactions energy: -451.818
where: short stacking energy: -200.452
Base-Backbone interact. energy: -1.658
local terms energy: -207.143491
where:
bonds (distance) C4'-P energy: -45.340
bonds (distance) P-C4' energy: -33.732
flat angles C4'-P-C4' energy: -48.573
flat angles P-C4'-P energy: -23.969
tors. eta vs tors. theta energy: -55.529
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: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -668.385770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.385770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.385770 (E_RNA)
where:
Base-Base interactions energy: -459.933
where: short stacking energy: -174.587
Base-Backbone interact. energy: -1.111
local terms energy: -207.341993
where:
bonds (distance) C4'-P energy: -43.383
bonds (distance) P-C4' energy: -39.895
flat angles C4'-P-C4' energy: -46.563
flat angles P-C4'-P energy: -24.903
tors. eta vs tors. theta energy: -52.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -513.617116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.617116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.617116 (E_RNA)
where:
Base-Base interactions energy: -320.779
where: short stacking energy: -157.732
Base-Backbone interact. energy: -1.098
local terms energy: -191.740528
where:
bonds (distance) C4'-P energy: -47.983
bonds (distance) P-C4' energy: -35.836
flat angles C4'-P-C4' energy: -43.855
flat angles P-C4'-P energy: -27.593
tors. eta vs tors. theta energy: -36.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -351.252571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.252571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.252571 (E_RNA)
where:
Base-Base interactions energy: -183.840
where: short stacking energy: -113.197
Base-Backbone interact. energy: 0.176
local terms energy: -167.588412
where:
bonds (distance) C4'-P energy: -47.314
bonds (distance) P-C4' energy: -49.177
flat angles C4'-P-C4' energy: -31.179
flat angles P-C4'-P energy: -25.421
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -357.154805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.154805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.154805 (E_RNA)
where:
Base-Base interactions energy: -208.706
where: short stacking energy: -98.010
Base-Backbone interact. energy: 2.697
local terms energy: -151.146093
where:
bonds (distance) C4'-P energy: -33.345
bonds (distance) P-C4' energy: -35.928
flat angles C4'-P-C4' energy: -38.076
flat angles P-C4'-P energy: -27.898
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -865.658723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.658723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.658723 (E_RNA)
where:
Base-Base interactions energy: -624.063
where: short stacking energy: -249.169
Base-Backbone interact. energy: -1.889
local terms energy: -239.706672
where:
bonds (distance) C4'-P energy: -45.341
bonds (distance) P-C4' energy: -44.974
flat angles C4'-P-C4' energy: -52.483
flat angles P-C4'-P energy: -31.403
tors. eta vs tors. theta energy: -65.507
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: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -810.373744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.373744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.373744 (E_RNA)
where:
Base-Base interactions energy: -556.074
where: short stacking energy: -256.876
Base-Backbone interact. energy: -0.534
local terms energy: -253.765091
where:
bonds (distance) C4'-P energy: -50.731
bonds (distance) P-C4' energy: -43.199
flat angles C4'-P-C4' energy: -54.239
flat angles P-C4'-P energy: -33.975
tors. eta vs tors. theta energy: -71.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -796.570558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.570558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.570558 (E_RNA)
where:
Base-Base interactions energy: -554.737
where: short stacking energy: -238.479
Base-Backbone interact. energy: 1.940
local terms energy: -243.773173
where:
bonds (distance) C4'-P energy: -45.796
bonds (distance) P-C4' energy: -54.758
flat angles C4'-P-C4' energy: -45.425
flat angles P-C4'-P energy: -28.912
tors. eta vs tors. theta energy: -68.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -763.345767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.345767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.345767 (E_RNA)
where:
Base-Base interactions energy: -550.788
where: short stacking energy: -209.873
Base-Backbone interact. energy: -1.968
local terms energy: -210.589167
where:
bonds (distance) C4'-P energy: -47.923
bonds (distance) P-C4' energy: -46.034
flat angles C4'-P-C4' energy: -48.861
flat angles P-C4'-P energy: -26.569
tors. eta vs tors. theta energy: -41.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -686.174969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.174969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.174969 (E_RNA)
where:
Base-Base interactions energy: -465.990
where: short stacking energy: -181.766
Base-Backbone interact. energy: -0.696
local terms energy: -219.489251
where:
bonds (distance) C4'-P energy: -45.070
bonds (distance) P-C4' energy: -40.525
flat angles C4'-P-C4' energy: -51.245
flat angles P-C4'-P energy: -31.514
tors. eta vs tors. theta energy: -51.136
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: 260
Temperature: 1.150000
Total energy: -601.421250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.421250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.421250 (E_RNA)
where:
Base-Base interactions energy: -406.882
where: short stacking energy: -173.374
Base-Backbone interact. energy: 1.125
local terms energy: -195.664496
where:
bonds (distance) C4'-P energy: -37.154
bonds (distance) P-C4' energy: -43.604
flat angles C4'-P-C4' energy: -54.596
flat angles P-C4'-P energy: -23.175
tors. eta vs tors. theta energy: -37.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -659.669082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.669082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.669082 (E_RNA)
where:
Base-Base interactions energy: -440.058
where: short stacking energy: -193.006
Base-Backbone interact. energy: -2.246
local terms energy: -217.364644
where:
bonds (distance) C4'-P energy: -32.863
bonds (distance) P-C4' energy: -44.999
flat angles C4'-P-C4' energy: -50.168
flat angles P-C4'-P energy: -33.169
tors. eta vs tors. theta energy: -56.166
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: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -543.105467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.105467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.105467 (E_RNA)
where:
Base-Base interactions energy: -343.874
where: short stacking energy: -179.308
Base-Backbone interact. energy: -0.128
local terms energy: -199.103621
where:
bonds (distance) C4'-P energy: -38.413
bonds (distance) P-C4' energy: -45.842
flat angles C4'-P-C4' energy: -43.428
flat angles P-C4'-P energy: -22.070
tors. eta vs tors. theta energy: -49.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -373.046530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.046530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.046530 (E_RNA)
where:
Base-Base interactions energy: -220.937
where: short stacking energy: -109.027
Base-Backbone interact. energy: -0.630
local terms energy: -151.478790
where:
bonds (distance) C4'-P energy: -41.916
bonds (distance) P-C4' energy: -39.895
flat angles C4'-P-C4' energy: -32.712
flat angles P-C4'-P energy: -23.964
tors. eta vs tors. theta energy: -12.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -319.977871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.977871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.977871 (E_RNA)
where:
Base-Base interactions energy: -160.863
where: short stacking energy: -93.922
Base-Backbone interact. energy: 2.435
local terms energy: -161.549890
where:
bonds (distance) C4'-P energy: -46.916
bonds (distance) P-C4' energy: -41.348
flat angles C4'-P-C4' energy: -40.099
flat angles P-C4'-P energy: -27.544
tors. eta vs tors. theta energy: -5.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -865.754578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.754578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.754578 (E_RNA)
where:
Base-Base interactions energy: -599.723
where: short stacking energy: -248.340
Base-Backbone interact. energy: 0.302
local terms energy: -266.334428
where:
bonds (distance) C4'-P energy: -48.131
bonds (distance) P-C4' energy: -49.797
flat angles C4'-P-C4' energy: -62.246
flat angles P-C4'-P energy: -39.933
tors. eta vs tors. theta energy: -66.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -818.323202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.323202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.323202 (E_RNA)
where:
Base-Base interactions energy: -552.383
where: short stacking energy: -249.682
Base-Backbone interact. energy: -0.446
local terms energy: -265.493805
where:
bonds (distance) C4'-P energy: -44.906
bonds (distance) P-C4' energy: -50.746
flat angles C4'-P-C4' energy: -54.881
flat angles P-C4'-P energy: -33.899
tors. eta vs tors. theta energy: -81.062
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: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -797.014788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.014788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.014788 (E_RNA)
where:
Base-Base interactions energy: -524.573
where: short stacking energy: -238.769
Base-Backbone interact. energy: -0.771
local terms energy: -271.670841
where:
bonds (distance) C4'-P energy: -48.677
bonds (distance) P-C4' energy: -52.481
flat angles C4'-P-C4' energy: -58.866
flat angles P-C4'-P energy: -39.406
tors. eta vs tors. theta energy: -72.242
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: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -761.238401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.238401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.238401 (E_RNA)
where:
Base-Base interactions energy: -542.886
where: short stacking energy: -209.667
Base-Backbone interact. energy: -1.859
local terms energy: -216.494145
where:
bonds (distance) C4'-P energy: -44.885
bonds (distance) P-C4' energy: -44.217
flat angles C4'-P-C4' energy: -51.677
flat angles P-C4'-P energy: -28.754
tors. eta vs tors. theta energy: -46.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -682.708584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.708584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.708584 (E_RNA)
where:
Base-Base interactions energy: -461.890
where: short stacking energy: -222.193
Base-Backbone interact. energy: -1.836
local terms energy: -218.983150
where:
bonds (distance) C4'-P energy: -39.710
bonds (distance) P-C4' energy: -45.914
flat angles C4'-P-C4' energy: -42.583
flat angles P-C4'-P energy: -27.352
tors. eta vs tors. theta energy: -63.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -649.575883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.575883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.575883 (E_RNA)
where:
Base-Base interactions energy: -443.007
where: short stacking energy: -187.892
Base-Backbone interact. energy: -0.874
local terms energy: -205.695419
where:
bonds (distance) C4'-P energy: -31.049
bonds (distance) P-C4' energy: -42.792
flat angles C4'-P-C4' energy: -48.069
flat angles P-C4'-P energy: -38.088
tors. eta vs tors. theta energy: -45.697
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: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -576.728991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.728991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.728991 (E_RNA)
where:
Base-Base interactions energy: -397.606
where: short stacking energy: -171.952
Base-Backbone interact. energy: 0.868
local terms energy: -179.991736
where:
bonds (distance) C4'-P energy: -28.712
bonds (distance) P-C4' energy: -43.600
flat angles C4'-P-C4' energy: -43.032
flat angles P-C4'-P energy: -22.209
tors. eta vs tors. theta energy: -42.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -534.990525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.990525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.990525 (E_RNA)
where:
Base-Base interactions energy: -355.642
where: short stacking energy: -166.699
Base-Backbone interact. energy: 0.847
local terms energy: -180.195127
where:
bonds (distance) C4'-P energy: -36.209
bonds (distance) P-C4' energy: -45.239
flat angles C4'-P-C4' energy: -43.123
flat angles P-C4'-P energy: -29.151
tors. eta vs tors. theta energy: -26.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -437.895618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.895618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.895618 (E_RNA)
where:
Base-Base interactions energy: -265.317
where: short stacking energy: -148.595
Base-Backbone interact. energy: 5.020
local terms energy: -177.599180
where:
bonds (distance) C4'-P energy: -40.774
bonds (distance) P-C4' energy: -42.745
flat angles C4'-P-C4' energy: -44.307
flat angles P-C4'-P energy: -23.826
tors. eta vs tors. theta energy: -25.948
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: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -298.486628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.486628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.486628 (E_RNA)
where:
Base-Base interactions energy: -152.496
where: short stacking energy: -96.247
Base-Backbone interact. energy: 0.368
local terms energy: -146.357673
where:
bonds (distance) C4'-P energy: -38.781
bonds (distance) P-C4' energy: -42.806
flat angles C4'-P-C4' energy: -31.553
flat angles P-C4'-P energy: -27.963
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -857.546106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.546106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.546106 (E_RNA)
where:
Base-Base interactions energy: -594.245
where: short stacking energy: -225.643
Base-Backbone interact. energy: 1.428
local terms energy: -264.729427
where:
bonds (distance) C4'-P energy: -50.692
bonds (distance) P-C4' energy: -56.271
flat angles C4'-P-C4' energy: -53.671
flat angles P-C4'-P energy: -41.480
tors. eta vs tors. theta energy: -62.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -817.406505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.406505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.406505 (E_RNA)
where:
Base-Base interactions energy: -556.680
where: short stacking energy: -248.046
Base-Backbone interact. energy: -1.336
local terms energy: -259.391135
where:
bonds (distance) C4'-P energy: -44.667
bonds (distance) P-C4' energy: -50.653
flat angles C4'-P-C4' energy: -55.003
flat angles P-C4'-P energy: -39.361
tors. eta vs tors. theta energy: -69.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -807.023728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.023728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.023728 (E_RNA)
where:
Base-Base interactions energy: -560.212
where: short stacking energy: -257.311
Base-Backbone interact. energy: -0.546
local terms energy: -246.265649
where:
bonds (distance) C4'-P energy: -40.896
bonds (distance) P-C4' energy: -48.700
flat angles C4'-P-C4' energy: -45.158
flat angles P-C4'-P energy: -42.257
tors. eta vs tors. theta energy: -69.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -759.492555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.492555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.492555 (E_RNA)
where:
Base-Base interactions energy: -557.508
where: short stacking energy: -215.484
Base-Backbone interact. energy: -1.000
local terms energy: -200.985057
where:
bonds (distance) C4'-P energy: -37.182
bonds (distance) P-C4' energy: -43.515
flat angles C4'-P-C4' energy: -40.876
flat angles P-C4'-P energy: -29.070
tors. eta vs tors. theta energy: -50.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -686.451613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.451613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.451613 (E_RNA)
where:
Base-Base interactions energy: -473.340
where: short stacking energy: -201.376
Base-Backbone interact. energy: -0.399
local terms energy: -212.712072
where:
bonds (distance) C4'-P energy: -41.651
bonds (distance) P-C4' energy: -51.444
flat angles C4'-P-C4' energy: -45.780
flat angles P-C4'-P energy: -25.976
tors. eta vs tors. theta energy: -47.861
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: 6, replica: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -624.431189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.431189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.431189 (E_RNA)
where:
Base-Base interactions energy: -412.543
where: short stacking energy: -182.160
Base-Backbone interact. energy: 0.014
local terms energy: -211.901489
where:
bonds (distance) C4'-P energy: -40.883
bonds (distance) P-C4' energy: -41.362
flat angles C4'-P-C4' energy: -43.897
flat angles P-C4'-P energy: -37.577
tors. eta vs tors. theta energy: -48.183
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: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -589.827576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.827576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.827576 (E_RNA)
where:
Base-Base interactions energy: -393.247
where: short stacking energy: -183.970
Base-Backbone interact. energy: -2.168
local terms energy: -194.412940
where:
bonds (distance) C4'-P energy: -42.490
bonds (distance) P-C4' energy: -35.507
flat angles C4'-P-C4' energy: -50.082
flat angles P-C4'-P energy: -24.785
tors. eta vs tors. theta energy: -41.549
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: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -500.439127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.439127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.439127 (E_RNA)
where:
Base-Base interactions energy: -312.961
where: short stacking energy: -143.388
Base-Backbone interact. energy: -1.257
local terms energy: -186.220724
where:
bonds (distance) C4'-P energy: -44.515
bonds (distance) P-C4' energy: -44.634
flat angles C4'-P-C4' energy: -44.440
flat angles P-C4'-P energy: -24.534
tors. eta vs tors. theta energy: -28.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -298.830137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.830137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.830137 (E_RNA)
where:
Base-Base interactions energy: -142.577
where: short stacking energy: -75.342
Base-Backbone interact. energy: 1.378
local terms energy: -157.631108
where:
bonds (distance) C4'-P energy: -45.382
bonds (distance) P-C4' energy: -45.509
flat angles C4'-P-C4' energy: -42.558
flat angles P-C4'-P energy: -17.458
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -392.532866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.532866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.532866 (E_RNA)
where:
Base-Base interactions energy: -239.269
where: short stacking energy: -115.354
Base-Backbone interact. energy: -0.452
local terms energy: -152.811360
where:
bonds (distance) C4'-P energy: -42.176
bonds (distance) P-C4' energy: -41.365
flat angles C4'-P-C4' energy: -28.670
flat angles P-C4'-P energy: -22.445
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -852.088541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.088541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.088541 (E_RNA)
where:
Base-Base interactions energy: -593.759
where: short stacking energy: -252.568
Base-Backbone interact. energy: -1.777
local terms energy: -256.552388
where:
bonds (distance) C4'-P energy: -49.168
bonds (distance) P-C4' energy: -47.428
flat angles C4'-P-C4' energy: -56.618
flat angles P-C4'-P energy: -38.645
tors. eta vs tors. theta energy: -64.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -842.452744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.452744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.452744 (E_RNA)
where:
Base-Base interactions energy: -568.999
where: short stacking energy: -253.548
Base-Backbone interact. energy: -1.071
local terms energy: -272.382753
where:
bonds (distance) C4'-P energy: -51.595
bonds (distance) P-C4' energy: -51.704
flat angles C4'-P-C4' energy: -52.066
flat angles P-C4'-P energy: -34.616
tors. eta vs tors. theta energy: -82.402
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: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -828.328386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.328386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.328386 (E_RNA)
where:
Base-Base interactions energy: -567.657
where: short stacking energy: -263.322
Base-Backbone interact. energy: -0.832
local terms energy: -259.839436
where:
bonds (distance) C4'-P energy: -46.988
bonds (distance) P-C4' energy: -41.016
flat angles C4'-P-C4' energy: -57.788
flat angles P-C4'-P energy: -35.713
tors. eta vs tors. theta energy: -78.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -767.698151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.698151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.698151 (E_RNA)
where:
Base-Base interactions energy: -537.450
where: short stacking energy: -207.105
Base-Backbone interact. energy: -0.480
local terms energy: -229.768454
where:
bonds (distance) C4'-P energy: -43.680
bonds (distance) P-C4' energy: -48.330
flat angles C4'-P-C4' energy: -52.631
flat angles P-C4'-P energy: -32.467
tors. eta vs tors. theta energy: -52.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -704.525141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.525141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.525141 (E_RNA)
where:
Base-Base interactions energy: -494.871
where: short stacking energy: -199.824
Base-Backbone interact. energy: 0.295
local terms energy: -209.949807
where:
bonds (distance) C4'-P energy: -36.094
bonds (distance) P-C4' energy: -39.870
flat angles C4'-P-C4' energy: -47.523
flat angles P-C4'-P energy: -35.422
tors. eta vs tors. theta energy: -51.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -643.438820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.438820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.438820 (E_RNA)
where:
Base-Base interactions energy: -437.024
where: short stacking energy: -183.493
Base-Backbone interact. energy: -2.811
local terms energy: -203.603865
where:
bonds (distance) C4'-P energy: -43.881
bonds (distance) P-C4' energy: -37.994
flat angles C4'-P-C4' energy: -47.304
flat angles P-C4'-P energy: -27.207
tors. eta vs tors. theta energy: -47.218
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: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -622.961556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.961556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.961556 (E_RNA)
where:
Base-Base interactions energy: -420.602
where: short stacking energy: -192.400
Base-Backbone interact. energy: -0.384
local terms energy: -201.975490
where:
bonds (distance) C4'-P energy: -39.758
bonds (distance) P-C4' energy: -34.004
flat angles C4'-P-C4' energy: -42.738
flat angles P-C4'-P energy: -29.860
tors. eta vs tors. theta energy: -55.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -482.403662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.403662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.403662 (E_RNA)
where:
Base-Base interactions energy: -304.747
where: short stacking energy: -146.416
Base-Backbone interact. energy: -0.884
local terms energy: -176.772616
where:
bonds (distance) C4'-P energy: -39.252
bonds (distance) P-C4' energy: -35.650
flat angles C4'-P-C4' energy: -35.247
flat angles P-C4'-P energy: -30.478
tors. eta vs tors. theta energy: -36.145
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: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -320.297901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.297901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.297901 (E_RNA)
where:
Base-Base interactions energy: -150.823
where: short stacking energy: -103.584
Base-Backbone interact. energy: 2.417
local terms energy: -171.892442
where:
bonds (distance) C4'-P energy: -49.684
bonds (distance) P-C4' energy: -34.123
flat angles C4'-P-C4' energy: -41.976
flat angles P-C4'-P energy: -23.106
tors. eta vs tors. theta energy: -23.003
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: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -381.388233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.388233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.388233 (E_RNA)
where:
Base-Base interactions energy: -224.802
where: short stacking energy: -105.605
Base-Backbone interact. energy: -1.089
local terms energy: -155.496785
where:
bonds (distance) C4'-P energy: -37.754
bonds (distance) P-C4' energy: -45.896
flat angles C4'-P-C4' energy: -35.516
flat angles P-C4'-P energy: -24.001
tors. eta vs tors. theta energy: -12.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -851.731102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.731102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.731102 (E_RNA)
where:
Base-Base interactions energy: -599.993
where: short stacking energy: -248.618
Base-Backbone interact. energy: 3.792
local terms energy: -255.529987
where:
bonds (distance) C4'-P energy: -47.517
bonds (distance) P-C4' energy: -57.632
flat angles C4'-P-C4' energy: -50.297
flat angles P-C4'-P energy: -39.462
tors. eta vs tors. theta energy: -60.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -839.505468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.505468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.505468 (E_RNA)
where:
Base-Base interactions energy: -575.615
where: short stacking energy: -246.779
Base-Backbone interact. energy: -0.740
local terms energy: -263.150889
where:
bonds (distance) C4'-P energy: -45.961
bonds (distance) P-C4' energy: -51.167
flat angles C4'-P-C4' energy: -56.501
flat angles P-C4'-P energy: -35.376
tors. eta vs tors. theta energy: -74.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -797.242170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.242170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.242170 (E_RNA)
where:
Base-Base interactions energy: -541.157
where: short stacking energy: -231.723
Base-Backbone interact. energy: -0.505
local terms energy: -255.579463
where:
bonds (distance) C4'-P energy: -47.398
bonds (distance) P-C4' energy: -50.143
flat angles C4'-P-C4' energy: -51.637
flat angles P-C4'-P energy: -33.957
tors. eta vs tors. theta energy: -72.444
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: 264
Temperature: 1.050000
Total energy: -763.042537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.042537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.042537 (E_RNA)
where:
Base-Base interactions energy: -540.725
where: short stacking energy: -202.345
Base-Backbone interact. energy: -0.175
local terms energy: -222.141925
where:
bonds (distance) C4'-P energy: -45.993
bonds (distance) P-C4' energy: -48.488
flat angles C4'-P-C4' energy: -49.012
flat angles P-C4'-P energy: -30.807
tors. eta vs tors. theta energy: -47.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -697.786983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.786983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.786983 (E_RNA)
where:
Base-Base interactions energy: -485.551
where: short stacking energy: -197.328
Base-Backbone interact. energy: -0.854
local terms energy: -211.381564
where:
bonds (distance) C4'-P energy: -44.409
bonds (distance) P-C4' energy: -43.268
flat angles C4'-P-C4' energy: -50.875
flat angles P-C4'-P energy: -26.282
tors. eta vs tors. theta energy: -46.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -596.353635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.353635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.353635 (E_RNA)
where:
Base-Base interactions energy: -400.600
where: short stacking energy: -171.415
Base-Backbone interact. energy: -2.278
local terms energy: -193.475666
where:
bonds (distance) C4'-P energy: -31.581
bonds (distance) P-C4' energy: -38.937
flat angles C4'-P-C4' energy: -46.259
flat angles P-C4'-P energy: -30.865
tors. eta vs tors. theta energy: -45.833
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: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -615.049402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.049402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.049402 (E_RNA)
where:
Base-Base interactions energy: -410.539
where: short stacking energy: -181.787
Base-Backbone interact. energy: -0.577
local terms energy: -203.933093
where:
bonds (distance) C4'-P energy: -38.440
bonds (distance) P-C4' energy: -39.375
flat angles C4'-P-C4' energy: -50.739
flat angles P-C4'-P energy: -30.817
tors. eta vs tors. theta energy: -44.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -510.285813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.285813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.285813 (E_RNA)
where:
Base-Base interactions energy: -331.344
where: short stacking energy: -152.741
Base-Backbone interact. energy: 0.896
local terms energy: -179.837837
where:
bonds (distance) C4'-P energy: -39.098
bonds (distance) P-C4' energy: -43.577
flat angles C4'-P-C4' energy: -43.234
flat angles P-C4'-P energy: -23.545
tors. eta vs tors. theta energy: -30.384
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: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -432.959764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.959764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.959764 (E_RNA)
where:
Base-Base interactions energy: -245.607
where: short stacking energy: -132.149
Base-Backbone interact. energy: -0.866
local terms energy: -186.486095
where:
bonds (distance) C4'-P energy: -38.474
bonds (distance) P-C4' energy: -45.218
flat angles C4'-P-C4' energy: -48.746
flat angles P-C4'-P energy: -22.813
tors. eta vs tors. theta energy: -31.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -295.116563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.116563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.116563 (E_RNA)
where:
Base-Base interactions energy: -167.993
where: short stacking energy: -79.812
Base-Backbone interact. energy: -1.779
local terms energy: -125.344099
where:
bonds (distance) C4'-P energy: -31.364
bonds (distance) P-C4' energy: -36.315
flat angles C4'-P-C4' energy: -35.664
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -8.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -856.895749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.895749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.895749 (E_RNA)
where:
Base-Base interactions energy: -594.789
where: short stacking energy: -247.371
Base-Backbone interact. energy: -2.046
local terms energy: -260.060352
where:
bonds (distance) C4'-P energy: -46.865
bonds (distance) P-C4' energy: -53.373
flat angles C4'-P-C4' energy: -58.996
flat angles P-C4'-P energy: -37.134
tors. eta vs tors. theta energy: -63.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -845.834681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.834681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.834681 (E_RNA)
where:
Base-Base interactions energy: -574.727
where: short stacking energy: -252.981
Base-Backbone interact. energy: -0.756
local terms energy: -270.351707
where:
bonds (distance) C4'-P energy: -49.162
bonds (distance) P-C4' energy: -47.911
flat angles C4'-P-C4' energy: -52.334
flat angles P-C4'-P energy: -41.625
tors. eta vs tors. theta energy: -79.321
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: 3, replica: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -813.766530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.766530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.766530 (E_RNA)
where:
Base-Base interactions energy: -552.726
where: short stacking energy: -257.175
Base-Backbone interact. energy: 0.955
local terms energy: -261.995404
where:
bonds (distance) C4'-P energy: -48.648
bonds (distance) P-C4' energy: -46.260
flat angles C4'-P-C4' energy: -54.805
flat angles P-C4'-P energy: -36.542
tors. eta vs tors. theta energy: -75.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -790.949477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.949477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.949477 (E_RNA)
where:
Base-Base interactions energy: -575.734
where: short stacking energy: -220.551
Base-Backbone interact. energy: -1.374
local terms energy: -213.841019
where:
bonds (distance) C4'-P energy: -32.548
bonds (distance) P-C4' energy: -46.533
flat angles C4'-P-C4' energy: -51.593
flat angles P-C4'-P energy: -30.986
tors. eta vs tors. theta energy: -52.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -694.418526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.418526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.418526 (E_RNA)
where:
Base-Base interactions energy: -467.294
where: short stacking energy: -187.814
Base-Backbone interact. energy: -0.941
local terms energy: -226.183702
where:
bonds (distance) C4'-P energy: -41.101
bonds (distance) P-C4' energy: -45.790
flat angles C4'-P-C4' energy: -51.827
flat angles P-C4'-P energy: -34.617
tors. eta vs tors. theta energy: -52.849
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: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -658.217802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.217802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.217802 (E_RNA)
where:
Base-Base interactions energy: -461.573
where: short stacking energy: -194.012
Base-Backbone interact. energy: 1.985
local terms energy: -198.629497
where:
bonds (distance) C4'-P energy: -39.520
bonds (distance) P-C4' energy: -43.828
flat angles C4'-P-C4' energy: -41.304
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -50.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -622.631043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.631043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.631043 (E_RNA)
where:
Base-Base interactions energy: -417.151
where: short stacking energy: -194.504
Base-Backbone interact. energy: -2.195
local terms energy: -203.284600
where:
bonds (distance) C4'-P energy: -34.212
bonds (distance) P-C4' energy: -38.597
flat angles C4'-P-C4' energy: -48.262
flat angles P-C4'-P energy: -26.638
tors. eta vs tors. theta energy: -55.575
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: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -535.756135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.756135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.756135 (E_RNA)
where:
Base-Base interactions energy: -366.852
where: short stacking energy: -170.048
Base-Backbone interact. energy: -1.279
local terms energy: -167.624947
where:
bonds (distance) C4'-P energy: -35.256
bonds (distance) P-C4' energy: -31.713
flat angles C4'-P-C4' energy: -38.172
flat angles P-C4'-P energy: -28.275
tors. eta vs tors. theta energy: -34.209
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: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -403.679686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.679686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.679686 (E_RNA)
where:
Base-Base interactions energy: -245.738
where: short stacking energy: -116.277
Base-Backbone interact. energy: -0.830
local terms energy: -157.111015
where:
bonds (distance) C4'-P energy: -37.863
bonds (distance) P-C4' energy: -47.996
flat angles C4'-P-C4' energy: -28.642
flat angles P-C4'-P energy: -20.517
tors. eta vs tors. theta energy: -22.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -302.971157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.971157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.971157 (E_RNA)
where:
Base-Base interactions energy: -159.576
where: short stacking energy: -94.872
Base-Backbone interact. energy: -0.495
local terms energy: -142.900728
where:
bonds (distance) C4'-P energy: -29.475
bonds (distance) P-C4' energy: -40.553
flat angles C4'-P-C4' energy: -35.963
flat angles P-C4'-P energy: -24.417
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -873.073717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.073717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.073717 (E_RNA)
where:
Base-Base interactions energy: -584.823
where: short stacking energy: -265.697
Base-Backbone interact. energy: -0.474
local terms energy: -287.776572
where:
bonds (distance) C4'-P energy: -51.203
bonds (distance) P-C4' energy: -55.115
flat angles C4'-P-C4' energy: -59.743
flat angles P-C4'-P energy: -41.764
tors. eta vs tors. theta energy: -79.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -838.531819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.531819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.531819 (E_RNA)
where:
Base-Base interactions energy: -586.719
where: short stacking energy: -244.153
Base-Backbone interact. energy: -2.423
local terms energy: -249.389042
where:
bonds (distance) C4'-P energy: -42.870
bonds (distance) P-C4' energy: -54.361
flat angles C4'-P-C4' energy: -45.484
flat angles P-C4'-P energy: -41.189
tors. eta vs tors. theta energy: -65.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -802.676718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.676718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.676718 (E_RNA)
where:
Base-Base interactions energy: -551.844
where: short stacking energy: -246.203
Base-Backbone interact. energy: -0.736
local terms energy: -250.096707
where:
bonds (distance) C4'-P energy: -43.914
bonds (distance) P-C4' energy: -45.886
flat angles C4'-P-C4' energy: -53.588
flat angles P-C4'-P energy: -35.845
tors. eta vs tors. theta energy: -70.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -778.316296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.316296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.316296 (E_RNA)
where:
Base-Base interactions energy: -558.751
where: short stacking energy: -216.774
Base-Backbone interact. energy: 2.135
local terms energy: -221.700407
where:
bonds (distance) C4'-P energy: -38.708
bonds (distance) P-C4' energy: -48.412
flat angles C4'-P-C4' energy: -49.165
flat angles P-C4'-P energy: -25.026
tors. eta vs tors. theta energy: -60.390
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: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -692.735118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.735118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.735118 (E_RNA)
where:
Base-Base interactions energy: -481.673
where: short stacking energy: -197.083
Base-Backbone interact. energy: -0.818
local terms energy: -210.244444
where:
bonds (distance) C4'-P energy: -37.313
bonds (distance) P-C4' energy: -42.914
flat angles C4'-P-C4' energy: -52.255
flat angles P-C4'-P energy: -30.026
tors. eta vs tors. theta energy: -47.737
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: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -664.114037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.114037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.114037 (E_RNA)
where:
Base-Base interactions energy: -460.771
where: short stacking energy: -208.031
Base-Backbone interact. energy: -0.896
local terms energy: -202.447462
where:
bonds (distance) C4'-P energy: -31.494
bonds (distance) P-C4' energy: -48.418
flat angles C4'-P-C4' energy: -50.128
flat angles P-C4'-P energy: -21.112
tors. eta vs tors. theta energy: -51.295
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: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -616.577961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.577961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.577961 (E_RNA)
where:
Base-Base interactions energy: -394.693
where: short stacking energy: -183.188
Base-Backbone interact. energy: -0.823
local terms energy: -221.061833
where:
bonds (distance) C4'-P energy: -43.254
bonds (distance) P-C4' energy: -47.366
flat angles C4'-P-C4' energy: -50.100
flat angles P-C4'-P energy: -31.355
tors. eta vs tors. theta energy: -48.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -554.131979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.131979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.131979 (E_RNA)
where:
Base-Base interactions energy: -350.070
where: short stacking energy: -164.508
Base-Backbone interact. energy: 0.759
local terms energy: -204.820865
where:
bonds (distance) C4'-P energy: -50.515
bonds (distance) P-C4' energy: -37.523
flat angles C4'-P-C4' energy: -48.392
flat angles P-C4'-P energy: -30.129
tors. eta vs tors. theta energy: -38.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -321.097549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.097549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.097549 (E_RNA)
where:
Base-Base interactions energy: -166.899
where: short stacking energy: -101.920
Base-Backbone interact. energy: 0.904
local terms energy: -155.103066
where:
bonds (distance) C4'-P energy: -43.665
bonds (distance) P-C4' energy: -45.604
flat angles C4'-P-C4' energy: -32.544
flat angles P-C4'-P energy: -28.682
tors. eta vs tors. theta energy: -4.608
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: 3
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -419.941468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.941468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.941468 (E_RNA)
where:
Base-Base interactions energy: -263.011
where: short stacking energy: -116.624
Base-Backbone interact. energy: 1.753
local terms energy: -158.683841
where:
bonds (distance) C4'-P energy: -34.485
bonds (distance) P-C4' energy: -40.885
flat angles C4'-P-C4' energy: -34.345
flat angles P-C4'-P energy: -25.917
tors. eta vs tors. theta energy: -23.051
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: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -861.392635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.392635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.392635 (E_RNA)
where:
Base-Base interactions energy: -586.256
where: short stacking energy: -275.408
Base-Backbone interact. energy: -0.029
local terms energy: -275.107610
where:
bonds (distance) C4'-P energy: -47.610
bonds (distance) P-C4' energy: -55.262
flat angles C4'-P-C4' energy: -53.278
flat angles P-C4'-P energy: -39.957
tors. eta vs tors. theta energy: -79.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -844.380526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.380526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.380526 (E_RNA)
where:
Base-Base interactions energy: -588.631
where: short stacking energy: -244.960
Base-Backbone interact. energy: -1.787
local terms energy: -253.962592
where:
bonds (distance) C4'-P energy: -54.372
bonds (distance) P-C4' energy: -48.747
flat angles C4'-P-C4' energy: -54.620
flat angles P-C4'-P energy: -38.313
tors. eta vs tors. theta energy: -57.912
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: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -814.475144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.475144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.475144 (E_RNA)
where:
Base-Base interactions energy: -556.344
where: short stacking energy: -257.699
Base-Backbone interact. energy: -1.975
local terms energy: -256.156004
where:
bonds (distance) C4'-P energy: -47.404
bonds (distance) P-C4' energy: -42.800
flat angles C4'-P-C4' energy: -55.080
flat angles P-C4'-P energy: -33.985
tors. eta vs tors. theta energy: -76.887
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: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -771.608440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.608440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.608440 (E_RNA)
where:
Base-Base interactions energy: -558.243
where: short stacking energy: -226.662
Base-Backbone interact. energy: 3.029
local terms energy: -216.394673
where:
bonds (distance) C4'-P energy: -39.287
bonds (distance) P-C4' energy: -39.794
flat angles C4'-P-C4' energy: -46.075
flat angles P-C4'-P energy: -31.546
tors. eta vs tors. theta energy: -59.693
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: 267
Temperature: 1.100000
Total energy: -713.032217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.032217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.032217 (E_RNA)
where:
Base-Base interactions energy: -483.823
where: short stacking energy: -195.896
Base-Backbone interact. energy: 0.881
local terms energy: -230.090645
where:
bonds (distance) C4'-P energy: -41.409
bonds (distance) P-C4' energy: -47.009
flat angles C4'-P-C4' energy: -49.331
flat angles P-C4'-P energy: -30.826
tors. eta vs tors. theta energy: -61.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -629.033415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.033415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.033415 (E_RNA)
where:
Base-Base interactions energy: -417.785
where: short stacking energy: -189.907
Base-Backbone interact. energy: -0.112
local terms energy: -211.136218
where:
bonds (distance) C4'-P energy: -40.980
bonds (distance) P-C4' energy: -50.557
flat angles C4'-P-C4' energy: -45.464
flat angles P-C4'-P energy: -24.433
tors. eta vs tors. theta energy: -49.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -612.682753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.682753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.682753 (E_RNA)
where:
Base-Base interactions energy: -435.594
where: short stacking energy: -174.455
Base-Backbone interact. energy: 1.552
local terms energy: -178.640759
where:
bonds (distance) C4'-P energy: -29.342
bonds (distance) P-C4' energy: -35.432
flat angles C4'-P-C4' energy: -48.519
flat angles P-C4'-P energy: -20.955
tors. eta vs tors. theta energy: -44.392
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: 9
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -507.639770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.639770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.639770 (E_RNA)
where:
Base-Base interactions energy: -318.644
where: short stacking energy: -155.932
Base-Backbone interact. energy: 1.848
local terms energy: -190.843353
where:
bonds (distance) C4'-P energy: -37.723
bonds (distance) P-C4' energy: -54.187
flat angles C4'-P-C4' energy: -42.543
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: -38.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -308.045760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.045760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.045760 (E_RNA)
where:
Base-Base interactions energy: -148.320
where: short stacking energy: -94.604
Base-Backbone interact. energy: -0.941
local terms energy: -158.784094
where:
bonds (distance) C4'-P energy: -41.703
bonds (distance) P-C4' energy: -47.109
flat angles C4'-P-C4' energy: -36.449
flat angles P-C4'-P energy: -23.769
tors. eta vs tors. theta energy: -9.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -474.247479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.247479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.247479 (E_RNA)
where:
Base-Base interactions energy: -293.733
where: short stacking energy: -115.352
Base-Backbone interact. energy: -0.183
local terms energy: -180.331293
where:
bonds (distance) C4'-P energy: -36.049
bonds (distance) P-C4' energy: -41.644
flat angles C4'-P-C4' energy: -45.725
flat angles P-C4'-P energy: -33.534
tors. eta vs tors. theta energy: -23.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -860.642855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.642855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.642855 (E_RNA)
where:
Base-Base interactions energy: -611.661
where: short stacking energy: -236.604
Base-Backbone interact. energy: -1.526
local terms energy: -247.455155
where:
bonds (distance) C4'-P energy: -52.989
bonds (distance) P-C4' energy: -48.040
flat angles C4'-P-C4' energy: -52.654
flat angles P-C4'-P energy: -33.666
tors. eta vs tors. theta energy: -60.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -836.842323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.842323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.842323 (E_RNA)
where:
Base-Base interactions energy: -560.088
where: short stacking energy: -252.475
Base-Backbone interact. energy: -0.682
local terms energy: -276.072629
where:
bonds (distance) C4'-P energy: -48.364
bonds (distance) P-C4' energy: -56.432
flat angles C4'-P-C4' energy: -54.981
flat angles P-C4'-P energy: -39.824
tors. eta vs tors. theta energy: -76.472
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: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -800.759653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.759653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.759653 (E_RNA)
where:
Base-Base interactions energy: -552.067
where: short stacking energy: -253.959
Base-Backbone interact. energy: -0.084
local terms energy: -248.608169
where:
bonds (distance) C4'-P energy: -39.971
bonds (distance) P-C4' energy: -49.244
flat angles C4'-P-C4' energy: -47.726
flat angles P-C4'-P energy: -41.702
tors. eta vs tors. theta energy: -69.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -767.828830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.828830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.828830 (E_RNA)
where:
Base-Base interactions energy: -539.073
where: short stacking energy: -218.519
Base-Backbone interact. energy: -0.929
local terms energy: -227.827199
where:
bonds (distance) C4'-P energy: -37.648
bonds (distance) P-C4' energy: -52.491
flat angles C4'-P-C4' energy: -46.543
flat angles P-C4'-P energy: -29.852
tors. eta vs tors. theta energy: -61.293
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: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -706.493438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.493438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.493438 (E_RNA)
where:
Base-Base interactions energy: -475.040
where: short stacking energy: -200.123
Base-Backbone interact. energy: -0.981
local terms energy: -230.472301
where:
bonds (distance) C4'-P energy: -46.958
bonds (distance) P-C4' energy: -39.471
flat angles C4'-P-C4' energy: -51.975
flat angles P-C4'-P energy: -33.950
tors. eta vs tors. theta energy: -58.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -645.007932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.007932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.007932 (E_RNA)
where:
Base-Base interactions energy: -443.584
where: short stacking energy: -183.625
Base-Backbone interact. energy: 1.941
local terms energy: -203.364802
where:
bonds (distance) C4'-P energy: -33.350
bonds (distance) P-C4' energy: -37.261
flat angles C4'-P-C4' energy: -52.915
flat angles P-C4'-P energy: -33.351
tors. eta vs tors. theta energy: -46.488
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: 268
Temperature: 1.200000
Total energy: -652.920250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.920250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.920250 (E_RNA)
where:
Base-Base interactions energy: -441.656
where: short stacking energy: -184.198
Base-Backbone interact. energy: 0.807
local terms energy: -212.071038
where:
bonds (distance) C4'-P energy: -45.688
bonds (distance) P-C4' energy: -40.311
flat angles C4'-P-C4' energy: -47.565
flat angles P-C4'-P energy: -25.491
tors. eta vs tors. theta energy: -53.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -526.721068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.721068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.721068 (E_RNA)
where:
Base-Base interactions energy: -326.195
where: short stacking energy: -158.495
Base-Backbone interact. energy: -1.402
local terms energy: -199.123657
where:
bonds (distance) C4'-P energy: -39.087
bonds (distance) P-C4' energy: -45.127
flat angles C4'-P-C4' energy: -42.256
flat angles P-C4'-P energy: -28.978
tors. eta vs tors. theta energy: -43.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -492.279084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.279084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.279084 (E_RNA)
where:
Base-Base interactions energy: -321.462
where: short stacking energy: -137.853
Base-Backbone interact. energy: 0.083
local terms energy: -170.899927
where:
bonds (distance) C4'-P energy: -42.089
bonds (distance) P-C4' energy: -49.940
flat angles C4'-P-C4' energy: -43.663
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -26.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -322.469821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.469821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.469821 (E_RNA)
where:
Base-Base interactions energy: -188.259
where: short stacking energy: -107.897
Base-Backbone interact. energy: -0.037
local terms energy: -134.173399
where:
bonds (distance) C4'-P energy: -32.149
bonds (distance) P-C4' energy: -31.611
flat angles C4'-P-C4' energy: -34.621
flat angles P-C4'-P energy: -25.758
tors. eta vs tors. theta energy: -10.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -859.772028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.772028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.772028 (E_RNA)
where:
Base-Base interactions energy: -609.580
where: short stacking energy: -238.576
Base-Backbone interact. energy: -2.677
local terms energy: -247.514820
where:
bonds (distance) C4'-P energy: -49.497
bonds (distance) P-C4' energy: -42.781
flat angles C4'-P-C4' energy: -60.612
flat angles P-C4'-P energy: -38.732
tors. eta vs tors. theta energy: -55.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -833.389955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.389955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.389955 (E_RNA)
where:
Base-Base interactions energy: -574.266
where: short stacking energy: -268.685
Base-Backbone interact. energy: 4.211
local terms energy: -263.334731
where:
bonds (distance) C4'-P energy: -41.241
bonds (distance) P-C4' energy: -47.347
flat angles C4'-P-C4' energy: -53.275
flat angles P-C4'-P energy: -38.494
tors. eta vs tors. theta energy: -82.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -799.774706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.774706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.774706 (E_RNA)
where:
Base-Base interactions energy: -542.894
where: short stacking energy: -241.236
Base-Backbone interact. energy: -0.569
local terms energy: -256.312201
where:
bonds (distance) C4'-P energy: -46.176
bonds (distance) P-C4' energy: -54.685
flat angles C4'-P-C4' energy: -54.503
flat angles P-C4'-P energy: -28.719
tors. eta vs tors. theta energy: -72.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -766.278550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.278550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.278550 (E_RNA)
where:
Base-Base interactions energy: -561.829
where: short stacking energy: -220.426
Base-Backbone interact. energy: -3.148
local terms energy: -201.302088
where:
bonds (distance) C4'-P energy: -38.155
bonds (distance) P-C4' energy: -35.135
flat angles C4'-P-C4' energy: -44.395
flat angles P-C4'-P energy: -23.891
tors. eta vs tors. theta energy: -59.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -708.932646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.932646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.932646 (E_RNA)
where:
Base-Base interactions energy: -476.042
where: short stacking energy: -189.644
Base-Backbone interact. energy: 3.015
local terms energy: -235.905762
where:
bonds (distance) C4'-P energy: -41.366
bonds (distance) P-C4' energy: -50.568
flat angles C4'-P-C4' energy: -55.389
flat angles P-C4'-P energy: -35.560
tors. eta vs tors. theta energy: -53.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -627.546643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.546643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.546643 (E_RNA)
where:
Base-Base interactions energy: -421.398
where: short stacking energy: -169.866
Base-Backbone interact. energy: 1.277
local terms energy: -207.425590
where:
bonds (distance) C4'-P energy: -42.333
bonds (distance) P-C4' energy: -47.097
flat angles C4'-P-C4' energy: -45.814
flat angles P-C4'-P energy: -30.579
tors. eta vs tors. theta energy: -41.603
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: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -650.100253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.100253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.100253 (E_RNA)
where:
Base-Base interactions energy: -418.734
where: short stacking energy: -195.592
Base-Backbone interact. energy: -0.462
local terms energy: -230.904657
where:
bonds (distance) C4'-P energy: -47.602
bonds (distance) P-C4' energy: -53.687
flat angles C4'-P-C4' energy: -54.852
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -52.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -537.378173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.378173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.378173 (E_RNA)
where:
Base-Base interactions energy: -343.076
where: short stacking energy: -161.999
Base-Backbone interact. energy: 0.294
local terms energy: -194.597009
where:
bonds (distance) C4'-P energy: -43.978
bonds (distance) P-C4' energy: -48.710
flat angles C4'-P-C4' energy: -36.479
flat angles P-C4'-P energy: -35.422
tors. eta vs tors. theta energy: -30.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -492.680517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.680517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.680517 (E_RNA)
where:
Base-Base interactions energy: -298.622
where: short stacking energy: -132.417
Base-Backbone interact. energy: -0.148
local terms energy: -193.910599
where:
bonds (distance) C4'-P energy: -42.721
bonds (distance) P-C4' energy: -44.445
flat angles C4'-P-C4' energy: -50.798
flat angles P-C4'-P energy: -23.171
tors. eta vs tors. theta energy: -32.776
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: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -300.118850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.118850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.118850 (E_RNA)
where:
Base-Base interactions energy: -141.003
where: short stacking energy: -78.251
Base-Backbone interact. energy: -0.532
local terms energy: -158.583286
where:
bonds (distance) C4'-P energy: -48.559
bonds (distance) P-C4' energy: -30.364
flat angles C4'-P-C4' energy: -46.224
flat angles P-C4'-P energy: -26.417
tors. eta vs tors. theta energy: -7.019
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: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -859.295312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.295312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.295312 (E_RNA)
where:
Base-Base interactions energy: -607.063
where: short stacking energy: -258.103
Base-Backbone interact. energy: -2.528
local terms energy: -249.703792
where:
bonds (distance) C4'-P energy: -47.374
bonds (distance) P-C4' energy: -47.328
flat angles C4'-P-C4' energy: -55.533
flat angles P-C4'-P energy: -37.562
tors. eta vs tors. theta energy: -61.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -845.088580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.088580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.088580 (E_RNA)
where:
Base-Base interactions energy: -584.219
where: short stacking energy: -263.374
Base-Backbone interact. energy: -0.444
local terms energy: -260.425548
where:
bonds (distance) C4'-P energy: -35.709
bonds (distance) P-C4' energy: -51.521
flat angles C4'-P-C4' energy: -58.044
flat angles P-C4'-P energy: -38.444
tors. eta vs tors. theta energy: -76.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -796.232132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.232132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.232132 (E_RNA)
where:
Base-Base interactions energy: -555.622
where: short stacking energy: -219.037
Base-Backbone interact. energy: -1.638
local terms energy: -238.972135
where:
bonds (distance) C4'-P energy: -45.938
bonds (distance) P-C4' energy: -53.388
flat angles C4'-P-C4' energy: -49.163
flat angles P-C4'-P energy: -32.890
tors. eta vs tors. theta energy: -57.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -794.611898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.611898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.611898 (E_RNA)
where:
Base-Base interactions energy: -544.027
where: short stacking energy: -238.272
Base-Backbone interact. energy: -0.597
local terms energy: -249.987959
where:
bonds (distance) C4'-P energy: -47.252
bonds (distance) P-C4' energy: -47.037
flat angles C4'-P-C4' energy: -49.393
flat angles P-C4'-P energy: -36.587
tors. eta vs tors. theta energy: -69.718
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: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -706.786239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.786239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.786239 (E_RNA)
where:
Base-Base interactions energy: -463.538
where: short stacking energy: -200.204
Base-Backbone interact. energy: -0.528
local terms energy: -242.720324
where:
bonds (distance) C4'-P energy: -53.696
bonds (distance) P-C4' energy: -45.912
flat angles C4'-P-C4' energy: -51.156
flat angles P-C4'-P energy: -37.072
tors. eta vs tors. theta energy: -54.884
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: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -646.581541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.581541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.581541 (E_RNA)
where:
Base-Base interactions energy: -443.922
where: short stacking energy: -187.382
Base-Backbone interact. energy: -0.767
local terms energy: -201.892536
where:
bonds (distance) C4'-P energy: -40.002
bonds (distance) P-C4' energy: -40.173
flat angles C4'-P-C4' energy: -49.119
flat angles P-C4'-P energy: -25.382
tors. eta vs tors. theta energy: -47.217
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: 7, replica: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -634.817323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.817323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.817323 (E_RNA)
where:
Base-Base interactions energy: -422.365
where: short stacking energy: -195.824
Base-Backbone interact. energy: 1.231
local terms energy: -213.683260
where:
bonds (distance) C4'-P energy: -37.730
bonds (distance) P-C4' energy: -41.507
flat angles C4'-P-C4' energy: -54.563
flat angles P-C4'-P energy: -28.810
tors. eta vs tors. theta energy: -51.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -497.529439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.529439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.529439 (E_RNA)
where:
Base-Base interactions energy: -321.134
where: short stacking energy: -147.224
Base-Backbone interact. energy: 1.194
local terms energy: -177.589088
where:
bonds (distance) C4'-P energy: -43.373
bonds (distance) P-C4' energy: -42.952
flat angles C4'-P-C4' energy: -39.545
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -30.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -515.164968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.164968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.164968 (E_RNA)
where:
Base-Base interactions energy: -330.130
where: short stacking energy: -163.683
Base-Backbone interact. energy: 0.505
local terms energy: -185.539709
where:
bonds (distance) C4'-P energy: -34.268
bonds (distance) P-C4' energy: -46.273
flat angles C4'-P-C4' energy: -45.857
flat angles P-C4'-P energy: -29.154
tors. eta vs tors. theta energy: -29.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -313.353312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.353312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.353312 (E_RNA)
where:
Base-Base interactions energy: -184.284
where: short stacking energy: -93.250
Base-Backbone interact. energy: -0.055
local terms energy: -129.014702
where:
bonds (distance) C4'-P energy: -27.524
bonds (distance) P-C4' energy: -40.535
flat angles C4'-P-C4' energy: -33.011
flat angles P-C4'-P energy: -24.677
tors. eta vs tors. theta energy: -3.268
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: 1, replica: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -853.651613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.651613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.651613 (E_RNA)
where:
Base-Base interactions energy: -598.270
where: short stacking energy: -248.650
Base-Backbone interact. energy: -3.844
local terms energy: -251.537434
where:
bonds (distance) C4'-P energy: -41.212
bonds (distance) P-C4' energy: -50.952
flat angles C4'-P-C4' energy: -57.799
flat angles P-C4'-P energy: -36.687
tors. eta vs tors. theta energy: -64.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -842.271078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.271078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.271078 (E_RNA)
where:
Base-Base interactions energy: -590.389
where: short stacking energy: -256.305
Base-Backbone interact. energy: 0.107
local terms energy: -251.989583
where:
bonds (distance) C4'-P energy: -37.758
bonds (distance) P-C4' energy: -46.108
flat angles C4'-P-C4' energy: -57.737
flat angles P-C4'-P energy: -35.498
tors. eta vs tors. theta energy: -74.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -798.061037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.061037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.061037 (E_RNA)
where:
Base-Base interactions energy: -555.245
where: short stacking energy: -222.223
Base-Backbone interact. energy: -0.418
local terms energy: -242.398472
where:
bonds (distance) C4'-P energy: -47.629
bonds (distance) P-C4' energy: -42.117
flat angles C4'-P-C4' energy: -53.834
flat angles P-C4'-P energy: -40.115
tors. eta vs tors. theta energy: -58.704
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: 271
Temperature: 1.050000
Total energy: -805.385718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.385718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.385718 (E_RNA)
where:
Base-Base interactions energy: -556.137
where: short stacking energy: -241.890
Base-Backbone interact. energy: -0.320
local terms energy: -248.929046
where:
bonds (distance) C4'-P energy: -52.028
bonds (distance) P-C4' energy: -38.847
flat angles C4'-P-C4' energy: -46.194
flat angles P-C4'-P energy: -42.358
tors. eta vs tors. theta energy: -69.502
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: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -679.801542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.801542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.801542 (E_RNA)
where:
Base-Base interactions energy: -459.496
where: short stacking energy: -201.600
Base-Backbone interact. energy: 0.397
local terms energy: -220.702898
where:
bonds (distance) C4'-P energy: -44.983
bonds (distance) P-C4' energy: -46.416
flat angles C4'-P-C4' energy: -50.058
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: -48.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -698.508963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.508963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.508963 (E_RNA)
where:
Base-Base interactions energy: -472.257
where: short stacking energy: -203.212
Base-Backbone interact. energy: -0.708
local terms energy: -225.543597
where:
bonds (distance) C4'-P energy: -36.247
bonds (distance) P-C4' energy: -39.907
flat angles C4'-P-C4' energy: -50.385
flat angles P-C4'-P energy: -35.591
tors. eta vs tors. theta energy: -63.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -630.978815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.978815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.978815 (E_RNA)
where:
Base-Base interactions energy: -431.312
where: short stacking energy: -187.276
Base-Backbone interact. energy: -0.843
local terms energy: -198.824180
where:
bonds (distance) C4'-P energy: -41.843
bonds (distance) P-C4' energy: -39.639
flat angles C4'-P-C4' energy: -38.481
flat angles P-C4'-P energy: -26.722
tors. eta vs tors. theta energy: -52.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -533.095563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.095563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.095563 (E_RNA)
where:
Base-Base interactions energy: -322.457
where: short stacking energy: -153.806
Base-Backbone interact. energy: -1.945
local terms energy: -208.694028
where:
bonds (distance) C4'-P energy: -47.034
bonds (distance) P-C4' energy: -46.607
flat angles C4'-P-C4' energy: -46.250
flat angles P-C4'-P energy: -30.358
tors. eta vs tors. theta energy: -38.446
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: 271
Temperature: 1.300000
Total energy: -498.421891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.421891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.421891 (E_RNA)
where:
Base-Base interactions energy: -323.592
where: short stacking energy: -153.764
Base-Backbone interact. energy: -1.209
local terms energy: -173.621142
where:
bonds (distance) C4'-P energy: -36.735
bonds (distance) P-C4' energy: -39.831
flat angles C4'-P-C4' energy: -42.549
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -30.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -338.414638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.414638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.414638 (E_RNA)
where:
Base-Base interactions energy: -182.024
where: short stacking energy: -85.189
Base-Backbone interact. energy: -1.731
local terms energy: -154.659026
where:
bonds (distance) C4'-P energy: -28.988
bonds (distance) P-C4' energy: -45.211
flat angles C4'-P-C4' energy: -41.583
flat angles P-C4'-P energy: -28.948
tors. eta vs tors. theta energy: -9.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -848.334520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.334520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.334520 (E_RNA)
where:
Base-Base interactions energy: -592.989
where: short stacking energy: -236.398
Base-Backbone interact. energy: 0.114
local terms energy: -255.460006
where:
bonds (distance) C4'-P energy: -53.253
bonds (distance) P-C4' energy: -51.674
flat angles C4'-P-C4' energy: -55.863
flat angles P-C4'-P energy: -30.486
tors. eta vs tors. theta energy: -64.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -841.511840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.511840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.511840 (E_RNA)
where:
Base-Base interactions energy: -589.975
where: short stacking energy: -247.297
Base-Backbone interact. energy: -1.676
local terms energy: -249.860885
where:
bonds (distance) C4'-P energy: -47.407
bonds (distance) P-C4' energy: -48.326
flat angles C4'-P-C4' energy: -51.532
flat angles P-C4'-P energy: -27.148
tors. eta vs tors. theta energy: -75.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -792.002287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.002287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.002287 (E_RNA)
where:
Base-Base interactions energy: -564.264
where: short stacking energy: -223.826
Base-Backbone interact. energy: -1.960
local terms energy: -225.777715
where:
bonds (distance) C4'-P energy: -47.058
bonds (distance) P-C4' energy: -53.155
flat angles C4'-P-C4' energy: -47.585
flat angles P-C4'-P energy: -21.269
tors. eta vs tors. theta energy: -56.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -781.755354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.755354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.755354 (E_RNA)
where:
Base-Base interactions energy: -526.942
where: short stacking energy: -245.633
Base-Backbone interact. energy: -2.195
local terms energy: -252.618877
where:
bonds (distance) C4'-P energy: -46.118
bonds (distance) P-C4' energy: -44.228
flat angles C4'-P-C4' energy: -51.665
flat angles P-C4'-P energy: -34.319
tors. eta vs tors. theta energy: -76.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -733.805539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.805539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.805539 (E_RNA)
where:
Base-Base interactions energy: -482.205
where: short stacking energy: -208.892
Base-Backbone interact. energy: -0.104
local terms energy: -251.496182
where:
bonds (distance) C4'-P energy: -47.350
bonds (distance) P-C4' energy: -56.899
flat angles C4'-P-C4' energy: -48.005
flat angles P-C4'-P energy: -35.026
tors. eta vs tors. theta energy: -64.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -664.596773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.596773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.596773 (E_RNA)
where:
Base-Base interactions energy: -443.331
where: short stacking energy: -180.296
Base-Backbone interact. energy: 0.804
local terms energy: -222.069480
where:
bonds (distance) C4'-P energy: -49.018
bonds (distance) P-C4' energy: -44.520
flat angles C4'-P-C4' energy: -44.543
flat angles P-C4'-P energy: -35.471
tors. eta vs tors. theta energy: -48.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -609.478465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.478465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.478465 (E_RNA)
where:
Base-Base interactions energy: -402.269
where: short stacking energy: -177.457
Base-Backbone interact. energy: -1.634
local terms energy: -205.575656
where:
bonds (distance) C4'-P energy: -36.150
bonds (distance) P-C4' energy: -53.062
flat angles C4'-P-C4' energy: -46.168
flat angles P-C4'-P energy: -29.958
tors. eta vs tors. theta energy: -40.238
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: 3
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -532.136163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.136163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.136163 (E_RNA)
where:
Base-Base interactions energy: -334.355
where: short stacking energy: -155.279
Base-Backbone interact. energy: 0.294
local terms energy: -198.075139
where:
bonds (distance) C4'-P energy: -43.922
bonds (distance) P-C4' energy: -40.494
flat angles C4'-P-C4' energy: -45.569
flat angles P-C4'-P energy: -30.939
tors. eta vs tors. theta energy: -37.151
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: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -555.455836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.455836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.455836 (E_RNA)
where:
Base-Base interactions energy: -357.409
where: short stacking energy: -164.190
Base-Backbone interact. energy: -0.234
local terms energy: -197.812618
where:
bonds (distance) C4'-P energy: -37.551
bonds (distance) P-C4' energy: -36.064
flat angles C4'-P-C4' energy: -47.675
flat angles P-C4'-P energy: -30.574
tors. eta vs tors. theta energy: -45.948
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: 10, replica: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -364.135862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.135862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.135862 (E_RNA)
where:
Base-Base interactions energy: -207.688
where: short stacking energy: -103.524
Base-Backbone interact. energy: -1.682
local terms energy: -154.766104
where:
bonds (distance) C4'-P energy: -40.817
bonds (distance) P-C4' energy: -50.245
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -878.223938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.223938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.223938 (E_RNA)
where:
Base-Base interactions energy: -616.408
where: short stacking energy: -248.035
Base-Backbone interact. energy: 0.883
local terms energy: -262.699659
where:
bonds (distance) C4'-P energy: -47.705
bonds (distance) P-C4' energy: -54.504
flat angles C4'-P-C4' energy: -57.367
flat angles P-C4'-P energy: -42.158
tors. eta vs tors. theta energy: -60.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -830.764960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.764960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.764960 (E_RNA)
where:
Base-Base interactions energy: -566.769
where: short stacking energy: -250.411
Base-Backbone interact. energy: -0.877
local terms energy: -263.119039
where:
bonds (distance) C4'-P energy: -40.258
bonds (distance) P-C4' energy: -50.768
flat angles C4'-P-C4' energy: -57.578
flat angles P-C4'-P energy: -35.717
tors. eta vs tors. theta energy: -78.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -785.863319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.863319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.863319 (E_RNA)
where:
Base-Base interactions energy: -553.157
where: short stacking energy: -211.246
Base-Backbone interact. energy: -0.390
local terms energy: -232.315719
where:
bonds (distance) C4'-P energy: -42.389
bonds (distance) P-C4' energy: -49.850
flat angles C4'-P-C4' energy: -55.382
flat angles P-C4'-P energy: -29.494
tors. eta vs tors. theta energy: -55.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -807.976322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.976322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.976322 (E_RNA)
where:
Base-Base interactions energy: -559.485
where: short stacking energy: -258.988
Base-Backbone interact. energy: -0.656
local terms energy: -247.836042
where:
bonds (distance) C4'-P energy: -34.974
bonds (distance) P-C4' energy: -45.560
flat angles C4'-P-C4' energy: -54.657
flat angles P-C4'-P energy: -39.429
tors. eta vs tors. theta energy: -73.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -725.923616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.923616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.923616 (E_RNA)
where:
Base-Base interactions energy: -511.504
where: short stacking energy: -215.787
Base-Backbone interact. energy: 0.655
local terms energy: -215.074563
where:
bonds (distance) C4'-P energy: -32.617
bonds (distance) P-C4' energy: -48.417
flat angles C4'-P-C4' energy: -44.099
flat angles P-C4'-P energy: -27.939
tors. eta vs tors. theta energy: -62.002
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: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -659.523045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.523045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.523045 (E_RNA)
where:
Base-Base interactions energy: -445.954
where: short stacking energy: -191.822
Base-Backbone interact. energy: 2.432
local terms energy: -216.000639
where:
bonds (distance) C4'-P energy: -40.124
bonds (distance) P-C4' energy: -39.523
flat angles C4'-P-C4' energy: -50.462
flat angles P-C4'-P energy: -35.493
tors. eta vs tors. theta energy: -50.399
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: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -611.690555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.690555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.690555 (E_RNA)
where:
Base-Base interactions energy: -410.387
where: short stacking energy: -187.220
Base-Backbone interact. energy: -1.887
local terms energy: -199.416725
where:
bonds (distance) C4'-P energy: -34.548
bonds (distance) P-C4' energy: -43.066
flat angles C4'-P-C4' energy: -48.621
flat angles P-C4'-P energy: -31.800
tors. eta vs tors. theta energy: -41.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -565.726461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.726461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.726461 (E_RNA)
where:
Base-Base interactions energy: -385.454
where: short stacking energy: -161.700
Base-Backbone interact. energy: -1.181
local terms energy: -179.091618
where:
bonds (distance) C4'-P energy: -26.964
bonds (distance) P-C4' energy: -53.249
flat angles C4'-P-C4' energy: -45.483
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -34.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -511.921667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.921667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.921667 (E_RNA)
where:
Base-Base interactions energy: -329.798
where: short stacking energy: -156.875
Base-Backbone interact. energy: -1.400
local terms energy: -180.723242
where:
bonds (distance) C4'-P energy: -42.197
bonds (distance) P-C4' energy: -49.340
flat angles C4'-P-C4' energy: -35.521
flat angles P-C4'-P energy: -18.262
tors. eta vs tors. theta energy: -35.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -375.147549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.147549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.147549 (E_RNA)
where:
Base-Base interactions energy: -207.182
where: short stacking energy: -108.790
Base-Backbone interact. energy: 0.281
local terms energy: -168.246537
where:
bonds (distance) C4'-P energy: -53.847
bonds (distance) P-C4' energy: -33.377
flat angles C4'-P-C4' energy: -45.172
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -876.072133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.072133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.072133 (E_RNA)
where:
Base-Base interactions energy: -608.824
where: short stacking energy: -248.037
Base-Backbone interact. energy: -2.088
local terms energy: -265.159336
where:
bonds (distance) C4'-P energy: -44.948
bonds (distance) P-C4' energy: -56.801
flat angles C4'-P-C4' energy: -57.219
flat angles P-C4'-P energy: -40.211
tors. eta vs tors. theta energy: -65.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -839.838485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.838485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.838485 (E_RNA)
where:
Base-Base interactions energy: -589.081
where: short stacking energy: -253.681
Base-Backbone interact. energy: -0.440
local terms energy: -250.317205
where:
bonds (distance) C4'-P energy: -39.891
bonds (distance) P-C4' energy: -47.421
flat angles C4'-P-C4' energy: -55.568
flat angles P-C4'-P energy: -38.058
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: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -817.126547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.126547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.126547 (E_RNA)
where:
Base-Base interactions energy: -559.553
where: short stacking energy: -254.180
Base-Backbone interact. energy: 2.005
local terms energy: -259.578495
where:
bonds (distance) C4'-P energy: -41.303
bonds (distance) P-C4' energy: -51.488
flat angles C4'-P-C4' energy: -52.097
flat angles P-C4'-P energy: -36.274
tors. eta vs tors. theta energy: -78.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -771.994793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.994793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.994793 (E_RNA)
where:
Base-Base interactions energy: -525.646
where: short stacking energy: -218.961
Base-Backbone interact. energy: 0.185
local terms energy: -246.533174
where:
bonds (distance) C4'-P energy: -40.234
bonds (distance) P-C4' energy: -53.923
flat angles C4'-P-C4' energy: -52.323
flat angles P-C4'-P energy: -37.667
tors. eta vs tors. theta energy: -62.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -690.553215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.553215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.553215 (E_RNA)
where:
Base-Base interactions energy: -474.935
where: short stacking energy: -204.522
Base-Backbone interact. energy: -2.039
local terms energy: -213.579276
where:
bonds (distance) C4'-P energy: -38.832
bonds (distance) P-C4' energy: -41.320
flat angles C4'-P-C4' energy: -47.795
flat angles P-C4'-P energy: -34.415
tors. eta vs tors. theta energy: -51.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -663.905533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.905533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.905533 (E_RNA)
where:
Base-Base interactions energy: -453.809
where: short stacking energy: -186.640
Base-Backbone interact. energy: -0.969
local terms energy: -209.127559
where:
bonds (distance) C4'-P energy: -41.113
bonds (distance) P-C4' energy: -36.595
flat angles C4'-P-C4' energy: -45.393
flat angles P-C4'-P energy: -35.525
tors. eta vs tors. theta energy: -50.502
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: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -617.328977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.328977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.328977 (E_RNA)
where:
Base-Base interactions energy: -411.886
where: short stacking energy: -181.508
Base-Backbone interact. energy: -1.006
local terms energy: -204.436608
where:
bonds (distance) C4'-P energy: -36.745
bonds (distance) P-C4' energy: -36.121
flat angles C4'-P-C4' energy: -53.848
flat angles P-C4'-P energy: -35.449
tors. eta vs tors. theta energy: -42.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -541.364596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.364596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.364596 (E_RNA)
where:
Base-Base interactions energy: -351.514
where: short stacking energy: -158.326
Base-Backbone interact. energy: -1.055
local terms energy: -188.795857
where:
bonds (distance) C4'-P energy: -42.172
bonds (distance) P-C4' energy: -41.334
flat angles C4'-P-C4' energy: -45.672
flat angles P-C4'-P energy: -20.694
tors. eta vs tors. theta energy: -38.923
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: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -523.672385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.672385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.672385 (E_RNA)
where:
Base-Base interactions energy: -349.281
where: short stacking energy: -165.289
Base-Backbone interact. energy: 4.659
local terms energy: -179.050306
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -33.662
flat angles C4'-P-C4' energy: -43.863
flat angles P-C4'-P energy: -27.218
tors. eta vs tors. theta energy: -45.350
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: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -399.029041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.029041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.029041 (E_RNA)
where:
Base-Base interactions energy: -224.472
where: short stacking energy: -115.337
Base-Backbone interact. energy: -0.543
local terms energy: -174.014043
where:
bonds (distance) C4'-P energy: -35.028
bonds (distance) P-C4' energy: -54.994
flat angles C4'-P-C4' energy: -41.245
flat angles P-C4'-P energy: -26.707
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -867.867232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.867232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.867232 (E_RNA)
where:
Base-Base interactions energy: -617.069
where: short stacking energy: -243.092
Base-Backbone interact. energy: -3.724
local terms energy: -247.074284
where:
bonds (distance) C4'-P energy: -47.580
bonds (distance) P-C4' energy: -46.370
flat angles C4'-P-C4' energy: -51.753
flat angles P-C4'-P energy: -33.825
tors. eta vs tors. theta energy: -67.548
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: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -831.732948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.732948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.732948 (E_RNA)
where:
Base-Base interactions energy: -566.983
where: short stacking energy: -251.428
Base-Backbone interact. energy: -0.251
local terms energy: -264.499093
where:
bonds (distance) C4'-P energy: -44.536
bonds (distance) P-C4' energy: -53.773
flat angles C4'-P-C4' energy: -58.081
flat angles P-C4'-P energy: -33.820
tors. eta vs tors. theta energy: -74.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -814.681739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.681739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.681739 (E_RNA)
where:
Base-Base interactions energy: -575.201
where: short stacking energy: -239.998
Base-Backbone interact. energy: -0.304
local terms energy: -239.176590
where:
bonds (distance) C4'-P energy: -46.174
bonds (distance) P-C4' energy: -40.679
flat angles C4'-P-C4' energy: -46.068
flat angles P-C4'-P energy: -34.224
tors. eta vs tors. theta energy: -72.032
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: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -696.408794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.408794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.408794 (E_RNA)
where:
Base-Base interactions energy: -491.423
where: short stacking energy: -199.687
Base-Backbone interact. energy: -2.657
local terms energy: -202.329687
where:
bonds (distance) C4'-P energy: -38.593
bonds (distance) P-C4' energy: -34.709
flat angles C4'-P-C4' energy: -52.665
flat angles P-C4'-P energy: -28.784
tors. eta vs tors. theta energy: -47.579
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: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -757.706955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.706955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.706955 (E_RNA)
where:
Base-Base interactions energy: -546.471
where: short stacking energy: -210.916
Base-Backbone interact. energy: -2.213
local terms energy: -209.023343
where:
bonds (distance) C4'-P energy: -46.567
bonds (distance) P-C4' energy: -40.095
flat angles C4'-P-C4' energy: -46.865
flat angles P-C4'-P energy: -31.772
tors. eta vs tors. theta energy: -43.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -687.038492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.038492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.038492 (E_RNA)
where:
Base-Base interactions energy: -466.666
where: short stacking energy: -199.601
Base-Backbone interact. energy: -1.183
local terms energy: -219.189532
where:
bonds (distance) C4'-P energy: -43.393
bonds (distance) P-C4' energy: -52.337
flat angles C4'-P-C4' energy: -38.985
flat angles P-C4'-P energy: -26.665
tors. eta vs tors. theta energy: -57.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -623.910469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.910469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.910469 (E_RNA)
where:
Base-Base interactions energy: -412.256
where: short stacking energy: -188.938
Base-Backbone interact. energy: -1.269
local terms energy: -210.385893
where:
bonds (distance) C4'-P energy: -38.503
bonds (distance) P-C4' energy: -43.631
flat angles C4'-P-C4' energy: -50.587
flat angles P-C4'-P energy: -23.050
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: 8, replica: 3
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -550.889149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.889149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.889149 (E_RNA)
where:
Base-Base interactions energy: -355.826
where: short stacking energy: -172.531
Base-Backbone interact. energy: -2.479
local terms energy: -192.584052
where:
bonds (distance) C4'-P energy: -33.870
bonds (distance) P-C4' energy: -35.777
flat angles C4'-P-C4' energy: -51.717
flat angles P-C4'-P energy: -30.195
tors. eta vs tors. theta energy: -41.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -466.766795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.766795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.766795 (E_RNA)
where:
Base-Base interactions energy: -296.697
where: short stacking energy: -141.473
Base-Backbone interact. energy: -1.186
local terms energy: -168.883109
where:
bonds (distance) C4'-P energy: -39.086
bonds (distance) P-C4' energy: -55.887
flat angles C4'-P-C4' energy: -30.635
flat angles P-C4'-P energy: -20.342
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -368.895545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.895545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.895545 (E_RNA)
where:
Base-Base interactions energy: -229.073
where: short stacking energy: -123.250
Base-Backbone interact. energy: -0.152
local terms energy: -139.671053
where:
bonds (distance) C4'-P energy: -29.912
bonds (distance) P-C4' energy: -27.412
flat angles C4'-P-C4' energy: -42.253
flat angles P-C4'-P energy: -24.070
tors. eta vs tors. theta energy: -16.024
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: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -840.497176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.497176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.497176 (E_RNA)
where:
Base-Base interactions energy: -589.091
where: short stacking energy: -270.141
Base-Backbone interact. energy: 1.292
local terms energy: -252.698093
where:
bonds (distance) C4'-P energy: -49.109
bonds (distance) P-C4' energy: -38.665
flat angles C4'-P-C4' energy: -53.564
flat angles P-C4'-P energy: -34.307
tors. eta vs tors. theta energy: -77.053
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: 10
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -843.920293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.920293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.920293 (E_RNA)
where:
Base-Base interactions energy: -593.589
where: short stacking energy: -229.954
Base-Backbone interact. energy: -1.162
local terms energy: -249.169236
where:
bonds (distance) C4'-P energy: -48.499
bonds (distance) P-C4' energy: -40.246
flat angles C4'-P-C4' energy: -59.449
flat angles P-C4'-P energy: -40.404
tors. eta vs tors. theta energy: -60.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -777.303555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.303555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.303555 (E_RNA)
where:
Base-Base interactions energy: -525.854
where: short stacking energy: -236.854
Base-Backbone interact. energy: -0.082
local terms energy: -251.366846
where:
bonds (distance) C4'-P energy: -39.808
bonds (distance) P-C4' energy: -47.850
flat angles C4'-P-C4' energy: -55.635
flat angles P-C4'-P energy: -37.846
tors. eta vs tors. theta energy: -70.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -722.668125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.668125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.668125 (E_RNA)
where:
Base-Base interactions energy: -489.103
where: short stacking energy: -219.039
Base-Backbone interact. energy: -0.809
local terms energy: -232.755712
where:
bonds (distance) C4'-P energy: -48.667
bonds (distance) P-C4' energy: -42.525
flat angles C4'-P-C4' energy: -52.675
flat angles P-C4'-P energy: -33.479
tors. eta vs tors. theta energy: -55.410
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: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -751.295332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.295332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.295332 (E_RNA)
where:
Base-Base interactions energy: -531.223
where: short stacking energy: -205.978
Base-Backbone interact. energy: -2.096
local terms energy: -217.976301
where:
bonds (distance) C4'-P energy: -45.166
bonds (distance) P-C4' energy: -43.776
flat angles C4'-P-C4' energy: -46.604
flat angles P-C4'-P energy: -37.753
tors. eta vs tors. theta energy: -44.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -694.526588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.526588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.526588 (E_RNA)
where:
Base-Base interactions energy: -466.439
where: short stacking energy: -200.906
Base-Backbone interact. energy: 0.076
local terms energy: -228.163519
where:
bonds (distance) C4'-P energy: -43.864
bonds (distance) P-C4' energy: -51.208
flat angles C4'-P-C4' energy: -49.404
flat angles P-C4'-P energy: -29.036
tors. eta vs tors. theta energy: -54.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -640.796502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.796502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.796502 (E_RNA)
where:
Base-Base interactions energy: -422.112
where: short stacking energy: -182.232
Base-Backbone interact. energy: -0.181
local terms energy: -218.502821
where:
bonds (distance) C4'-P energy: -47.655
bonds (distance) P-C4' energy: -49.422
flat angles C4'-P-C4' energy: -47.371
flat angles P-C4'-P energy: -31.006
tors. eta vs tors. theta energy: -43.049
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: 3
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -516.487690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.487690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.487690 (E_RNA)
where:
Base-Base interactions energy: -330.127
where: short stacking energy: -153.342
Base-Backbone interact. energy: -0.513
local terms energy: -185.847869
where:
bonds (distance) C4'-P energy: -40.995
bonds (distance) P-C4' energy: -46.571
flat angles C4'-P-C4' energy: -48.099
flat angles P-C4'-P energy: -22.195
tors. eta vs tors. theta energy: -27.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -436.180285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.180285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.180285 (E_RNA)
where:
Base-Base interactions energy: -283.392
where: short stacking energy: -139.851
Base-Backbone interact. energy: 0.234
local terms energy: -153.021506
where:
bonds (distance) C4'-P energy: -39.028
bonds (distance) P-C4' energy: -35.410
flat angles C4'-P-C4' energy: -35.945
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -24.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -290.184439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.184439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.184439 (E_RNA)
where:
Base-Base interactions energy: -145.247
where: short stacking energy: -84.663
Base-Backbone interact. energy: -1.322
local terms energy: -143.615224
where:
bonds (distance) C4'-P energy: -36.727
bonds (distance) P-C4' energy: -36.353
flat angles C4'-P-C4' energy: -35.727
flat angles P-C4'-P energy: -26.836
tors. eta vs tors. theta energy: -7.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -853.171634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.171634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.171634 (E_RNA)
where:
Base-Base interactions energy: -588.001
where: short stacking energy: -275.128
Base-Backbone interact. energy: -1.579
local terms energy: -263.591532
where:
bonds (distance) C4'-P energy: -48.732
bonds (distance) P-C4' energy: -43.659
flat angles C4'-P-C4' energy: -58.550
flat angles P-C4'-P energy: -32.908
tors. eta vs tors. theta energy: -79.742
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: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -849.036357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.036357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.036357 (E_RNA)
where:
Base-Base interactions energy: -601.209
where: short stacking energy: -239.542
Base-Backbone interact. energy: 1.060
local terms energy: -248.887356
where:
bonds (distance) C4'-P energy: -49.390
bonds (distance) P-C4' energy: -48.805
flat angles C4'-P-C4' energy: -50.259
flat angles P-C4'-P energy: -40.346
tors. eta vs tors. theta energy: -60.087
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: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -787.507553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.507553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.507553 (E_RNA)
where:
Base-Base interactions energy: -530.123
where: short stacking energy: -241.815
Base-Backbone interact. energy: -0.879
local terms energy: -256.505983
where:
bonds (distance) C4'-P energy: -46.380
bonds (distance) P-C4' energy: -49.993
flat angles C4'-P-C4' energy: -52.544
flat angles P-C4'-P energy: -37.855
tors. eta vs tors. theta energy: -69.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -769.260922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.260922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.260922 (E_RNA)
where:
Base-Base interactions energy: -542.107
where: short stacking energy: -200.844
Base-Backbone interact. energy: -1.887
local terms energy: -225.266825
where:
bonds (distance) C4'-P energy: -44.918
bonds (distance) P-C4' energy: -53.874
flat angles C4'-P-C4' energy: -46.536
flat angles P-C4'-P energy: -36.274
tors. eta vs tors. theta energy: -43.665
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: 277
Temperature: 1.100000
Total energy: -687.240588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.240588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.240588 (E_RNA)
where:
Base-Base interactions energy: -461.649
where: short stacking energy: -192.396
Base-Backbone interact. energy: -0.654
local terms energy: -224.937796
where:
bonds (distance) C4'-P energy: -41.463
bonds (distance) P-C4' energy: -46.865
flat angles C4'-P-C4' energy: -46.544
flat angles P-C4'-P energy: -36.092
tors. eta vs tors. theta energy: -53.974
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: 277
Temperature: 1.150000
Total energy: -664.798984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.798984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.798984 (E_RNA)
where:
Base-Base interactions energy: -431.721
where: short stacking energy: -177.974
Base-Backbone interact. energy: -2.714
local terms energy: -230.363537
where:
bonds (distance) C4'-P energy: -48.197
bonds (distance) P-C4' energy: -50.520
flat angles C4'-P-C4' energy: -39.414
flat angles P-C4'-P energy: -37.736
tors. eta vs tors. theta energy: -54.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -614.936615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.936615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.936615 (E_RNA)
where:
Base-Base interactions energy: -417.710
where: short stacking energy: -181.706
Base-Backbone interact. energy: 0.877
local terms energy: -198.103993
where:
bonds (distance) C4'-P energy: -40.210
bonds (distance) P-C4' energy: -40.312
flat angles C4'-P-C4' energy: -44.540
flat angles P-C4'-P energy: -31.626
tors. eta vs tors. theta energy: -41.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -553.440296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.440296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.440296 (E_RNA)
where:
Base-Base interactions energy: -365.895
where: short stacking energy: -156.719
Base-Backbone interact. energy: -1.475
local terms energy: -186.070108
where:
bonds (distance) C4'-P energy: -39.391
bonds (distance) P-C4' energy: -44.559
flat angles C4'-P-C4' energy: -40.251
flat angles P-C4'-P energy: -25.297
tors. eta vs tors. theta energy: -36.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -429.491570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.491570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.491570 (E_RNA)
where:
Base-Base interactions energy: -256.362
where: short stacking energy: -118.654
Base-Backbone interact. energy: 0.989
local terms energy: -174.118528
where:
bonds (distance) C4'-P energy: -46.785
bonds (distance) P-C4' energy: -47.268
flat angles C4'-P-C4' energy: -43.582
flat angles P-C4'-P energy: -25.912
tors. eta vs tors. theta energy: -10.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -312.560319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.560319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.560319 (E_RNA)
where:
Base-Base interactions energy: -156.693
where: short stacking energy: -86.748
Base-Backbone interact. energy: -0.372
local terms energy: -155.495559
where:
bonds (distance) C4'-P energy: -39.439
bonds (distance) P-C4' energy: -40.177
flat angles C4'-P-C4' energy: -34.757
flat angles P-C4'-P energy: -29.911
tors. eta vs tors. theta energy: -11.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -848.921962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.921962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.921962 (E_RNA)
where:
Base-Base interactions energy: -598.408
where: short stacking energy: -257.356
Base-Backbone interact. energy: -0.502
local terms energy: -250.011632
where:
bonds (distance) C4'-P energy: -51.047
bonds (distance) P-C4' energy: -40.897
flat angles C4'-P-C4' energy: -48.135
flat angles P-C4'-P energy: -34.193
tors. eta vs tors. theta energy: -75.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -849.811617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.811617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.811617 (E_RNA)
where:
Base-Base interactions energy: -614.791
where: short stacking energy: -256.246
Base-Backbone interact. energy: -1.866
local terms energy: -233.154660
where:
bonds (distance) C4'-P energy: -41.453
bonds (distance) P-C4' energy: -47.876
flat angles C4'-P-C4' energy: -54.924
flat angles P-C4'-P energy: -29.360
tors. eta vs tors. theta energy: -59.541
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: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -788.374782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.374782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.374782 (E_RNA)
where:
Base-Base interactions energy: -554.696
where: short stacking energy: -225.616
Base-Backbone interact. energy: -1.228
local terms energy: -232.451453
where:
bonds (distance) C4'-P energy: -51.355
bonds (distance) P-C4' energy: -45.774
flat angles C4'-P-C4' energy: -49.491
flat angles P-C4'-P energy: -32.242
tors. eta vs tors. theta energy: -53.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -800.598016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.598016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.598016 (E_RNA)
where:
Base-Base interactions energy: -544.192
where: short stacking energy: -246.107
Base-Backbone interact. energy: -1.405
local terms energy: -255.000914
where:
bonds (distance) C4'-P energy: -44.322
bonds (distance) P-C4' energy: -47.731
flat angles C4'-P-C4' energy: -51.613
flat angles P-C4'-P energy: -38.839
tors. eta vs tors. theta energy: -72.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -687.933269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.933269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.933269 (E_RNA)
where:
Base-Base interactions energy: -465.454
where: short stacking energy: -204.240
Base-Backbone interact. energy: -2.153
local terms energy: -220.326554
where:
bonds (distance) C4'-P energy: -57.674
bonds (distance) P-C4' energy: -36.351
flat angles C4'-P-C4' energy: -42.459
flat angles P-C4'-P energy: -24.453
tors. eta vs tors. theta energy: -59.390
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: 6, replica: 6
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -685.394434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.394434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.394434 (E_RNA)
where:
Base-Base interactions energy: -467.635
where: short stacking energy: -195.919
Base-Backbone interact. energy: -1.125
local terms energy: -216.634305
where:
bonds (distance) C4'-P energy: -40.336
bonds (distance) P-C4' energy: -45.940
flat angles C4'-P-C4' energy: -44.741
flat angles P-C4'-P energy: -36.819
tors. eta vs tors. theta energy: -48.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -599.851084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.851084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.851084 (E_RNA)
where:
Base-Base interactions energy: -401.573
where: short stacking energy: -185.620
Base-Backbone interact. energy: 0.149
local terms energy: -198.426186
where:
bonds (distance) C4'-P energy: -42.552
bonds (distance) P-C4' energy: -45.931
flat angles C4'-P-C4' energy: -48.231
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -40.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -538.790280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.790280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.790280 (E_RNA)
where:
Base-Base interactions energy: -340.576
where: short stacking energy: -171.997
Base-Backbone interact. energy: -2.179
local terms energy: -196.035072
where:
bonds (distance) C4'-P energy: -38.040
bonds (distance) P-C4' energy: -39.830
flat angles C4'-P-C4' energy: -44.589
flat angles P-C4'-P energy: -31.074
tors. eta vs tors. theta energy: -42.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -382.992166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.992166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.992166 (E_RNA)
where:
Base-Base interactions energy: -241.775
where: short stacking energy: -116.059
Base-Backbone interact. energy: -0.782
local terms energy: -140.435519
where:
bonds (distance) C4'-P energy: -41.113
bonds (distance) P-C4' energy: -42.043
flat angles C4'-P-C4' energy: -40.769
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -297.159938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.159938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.159938 (E_RNA)
where:
Base-Base interactions energy: -146.653
where: short stacking energy: -76.539
Base-Backbone interact. energy: -0.419
local terms energy: -150.087471
where:
bonds (distance) C4'-P energy: -47.030
bonds (distance) P-C4' energy: -31.573
flat angles C4'-P-C4' energy: -41.429
flat angles P-C4'-P energy: -25.027
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -847.786023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.786023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.786023 (E_RNA)
where:
Base-Base interactions energy: -589.710
where: short stacking energy: -270.138
Base-Backbone interact. energy: -0.199
local terms energy: -257.877051
where:
bonds (distance) C4'-P energy: -45.818
bonds (distance) P-C4' energy: -43.680
flat angles C4'-P-C4' energy: -55.992
flat angles P-C4'-P energy: -36.041
tors. eta vs tors. theta energy: -76.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -838.186304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.186304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.186304 (E_RNA)
where:
Base-Base interactions energy: -589.613
where: short stacking energy: -248.938
Base-Backbone interact. energy: 3.554
local terms energy: -252.127355
where:
bonds (distance) C4'-P energy: -50.409
bonds (distance) P-C4' energy: -47.502
flat angles C4'-P-C4' energy: -52.863
flat angles P-C4'-P energy: -40.641
tors. eta vs tors. theta energy: -60.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -796.597718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.597718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.597718 (E_RNA)
where:
Base-Base interactions energy: -556.628
where: short stacking energy: -236.780
Base-Backbone interact. energy: 0.986
local terms energy: -240.955604
where:
bonds (distance) C4'-P energy: -50.338
bonds (distance) P-C4' energy: -55.001
flat angles C4'-P-C4' energy: -47.644
flat angles P-C4'-P energy: -33.039
tors. eta vs tors. theta energy: -54.933
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: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -758.144462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.144462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.144462 (E_RNA)
where:
Base-Base interactions energy: -513.555
where: short stacking energy: -219.990
Base-Backbone interact. energy: -1.716
local terms energy: -242.873694
where:
bonds (distance) C4'-P energy: -44.024
bonds (distance) P-C4' energy: -48.153
flat angles C4'-P-C4' energy: -53.722
flat angles P-C4'-P energy: -32.854
tors. eta vs tors. theta energy: -64.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -715.281637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.281637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.281637 (E_RNA)
where:
Base-Base interactions energy: -492.808
where: short stacking energy: -218.331
Base-Backbone interact. energy: -0.998
local terms energy: -221.476255
where:
bonds (distance) C4'-P energy: -42.700
bonds (distance) P-C4' energy: -43.453
flat angles C4'-P-C4' energy: -44.518
flat angles P-C4'-P energy: -31.703
tors. eta vs tors. theta energy: -59.102
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: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -651.693927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.693927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.693927 (E_RNA)
where:
Base-Base interactions energy: -465.403
where: short stacking energy: -218.497
Base-Backbone interact. energy: -1.346
local terms energy: -184.944464
where:
bonds (distance) C4'-P energy: -33.660
bonds (distance) P-C4' energy: -37.451
flat angles C4'-P-C4' energy: -42.345
flat angles P-C4'-P energy: -22.206
tors. eta vs tors. theta energy: -49.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -633.527853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.527853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.527853 (E_RNA)
where:
Base-Base interactions energy: -424.488
where: short stacking energy: -189.974
Base-Backbone interact. energy: -0.557
local terms energy: -208.482951
where:
bonds (distance) C4'-P energy: -37.483
bonds (distance) P-C4' energy: -48.097
flat angles C4'-P-C4' energy: -47.469
flat angles P-C4'-P energy: -28.566
tors. eta vs tors. theta energy: -46.868
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: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -516.601396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.601396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.601396 (E_RNA)
where:
Base-Base interactions energy: -331.760
where: short stacking energy: -155.018
Base-Backbone interact. energy: 1.167
local terms energy: -186.008516
where:
bonds (distance) C4'-P energy: -39.033
bonds (distance) P-C4' energy: -39.661
flat angles C4'-P-C4' energy: -44.571
flat angles P-C4'-P energy: -33.227
tors. eta vs tors. theta energy: -29.517
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: 9, replica: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -431.592796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.592796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.592796 (E_RNA)
where:
Base-Base interactions energy: -252.831
where: short stacking energy: -136.743
Base-Backbone interact. energy: -3.216
local terms energy: -175.546062
where:
bonds (distance) C4'-P energy: -41.514
bonds (distance) P-C4' energy: -42.357
flat angles C4'-P-C4' energy: -36.195
flat angles P-C4'-P energy: -27.083
tors. eta vs tors. theta energy: -28.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -292.372389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.372389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.372389 (E_RNA)
where:
Base-Base interactions energy: -148.886
where: short stacking energy: -83.460
Base-Backbone interact. energy: 0.479
local terms energy: -143.964462
where:
bonds (distance) C4'-P energy: -39.637
bonds (distance) P-C4' energy: -45.826
flat angles C4'-P-C4' energy: -35.432
flat angles P-C4'-P energy: -24.346
tors. eta vs tors. theta energy: 1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -857.214037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.214037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.214037 (E_RNA)
where:
Base-Base interactions energy: -610.321
where: short stacking energy: -245.841
Base-Backbone interact. energy: -1.289
local terms energy: -245.604278
where:
bonds (distance) C4'-P energy: -35.351
bonds (distance) P-C4' energy: -54.434
flat angles C4'-P-C4' energy: -53.758
flat angles P-C4'-P energy: -43.559
tors. eta vs tors. theta energy: -58.502
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: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -831.474530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.474530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.474530 (E_RNA)
where:
Base-Base interactions energy: -571.516
where: short stacking energy: -258.551
Base-Backbone interact. energy: -1.202
local terms energy: -258.757263
where:
bonds (distance) C4'-P energy: -54.251
bonds (distance) P-C4' energy: -43.967
flat angles C4'-P-C4' energy: -50.113
flat angles P-C4'-P energy: -36.891
tors. eta vs tors. theta energy: -73.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -759.393073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.393073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.393073 (E_RNA)
where:
Base-Base interactions energy: -518.280
where: short stacking energy: -230.280
Base-Backbone interact. energy: -0.901
local terms energy: -240.212578
where:
bonds (distance) C4'-P energy: -42.684
bonds (distance) P-C4' energy: -40.834
flat angles C4'-P-C4' energy: -52.412
flat angles P-C4'-P energy: -41.847
tors. eta vs tors. theta energy: -62.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -770.247885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.247885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.247885 (E_RNA)
where:
Base-Base interactions energy: -559.093
where: short stacking energy: -232.001
Base-Backbone interact. energy: -0.823
local terms energy: -210.331801
where:
bonds (distance) C4'-P energy: -41.485
bonds (distance) P-C4' energy: -40.971
flat angles C4'-P-C4' energy: -43.905
flat angles P-C4'-P energy: -29.624
tors. eta vs tors. theta energy: -54.346
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: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -715.706235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.706235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.706235 (E_RNA)
where:
Base-Base interactions energy: -491.917
where: short stacking energy: -218.154
Base-Backbone interact. energy: -1.989
local terms energy: -221.800626
where:
bonds (distance) C4'-P energy: -42.649
bonds (distance) P-C4' energy: -49.631
flat angles C4'-P-C4' energy: -51.269
flat angles P-C4'-P energy: -22.894
tors. eta vs tors. theta energy: -55.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -690.994476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.994476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.994476 (E_RNA)
where:
Base-Base interactions energy: -465.802
where: short stacking energy: -191.694
Base-Backbone interact. energy: -1.803
local terms energy: -223.388815
where:
bonds (distance) C4'-P energy: -44.393
bonds (distance) P-C4' energy: -48.432
flat angles C4'-P-C4' energy: -45.519
flat angles P-C4'-P energy: -36.262
tors. eta vs tors. theta energy: -48.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -531.311168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.311168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.311168 (E_RNA)
where:
Base-Base interactions energy: -350.815
where: short stacking energy: -174.299
Base-Backbone interact. energy: -0.362
local terms energy: -180.134682
where:
bonds (distance) C4'-P energy: -32.561
bonds (distance) P-C4' energy: -43.764
flat angles C4'-P-C4' energy: -50.633
flat angles P-C4'-P energy: -25.348
tors. eta vs tors. theta energy: -27.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -602.652263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.652263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.652263 (E_RNA)
where:
Base-Base interactions energy: -409.905
where: short stacking energy: -188.460
Base-Backbone interact. energy: 0.950
local terms energy: -193.696582
where:
bonds (distance) C4'-P energy: -45.488
bonds (distance) P-C4' energy: -39.214
flat angles C4'-P-C4' energy: -47.372
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -43.965
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: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -433.061977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.061977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.061977 (E_RNA)
where:
Base-Base interactions energy: -250.023
where: short stacking energy: -132.510
Base-Backbone interact. energy: 0.202
local terms energy: -183.240333
where:
bonds (distance) C4'-P energy: -38.845
bonds (distance) P-C4' energy: -45.594
flat angles C4'-P-C4' energy: -43.651
flat angles P-C4'-P energy: -33.304
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -276.988583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.988583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.988583 (E_RNA)
where:
Base-Base interactions energy: -122.391
where: short stacking energy: -82.064
Base-Backbone interact. energy: -0.697
local terms energy: -153.900735
where:
bonds (distance) C4'-P energy: -39.150
bonds (distance) P-C4' energy: -45.425
flat angles C4'-P-C4' energy: -42.085
flat angles P-C4'-P energy: -23.767
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -857.360113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.360113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.360113 (E_RNA)
where:
Base-Base interactions energy: -617.793
where: short stacking energy: -242.551
Base-Backbone interact. energy: -1.551
local terms energy: -238.015536
where:
bonds (distance) C4'-P energy: -51.723
bonds (distance) P-C4' energy: -46.905
flat angles C4'-P-C4' energy: -52.914
flat angles P-C4'-P energy: -30.181
tors. eta vs tors. theta energy: -56.293
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: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -827.980957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.980957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.980957 (E_RNA)
where:
Base-Base interactions energy: -577.023
where: short stacking energy: -262.587
Base-Backbone interact. energy: -0.858
local terms energy: -250.100207
where:
bonds (distance) C4'-P energy: -48.539
bonds (distance) P-C4' energy: -49.787
flat angles C4'-P-C4' energy: -53.866
flat angles P-C4'-P energy: -27.166
tors. eta vs tors. theta energy: -70.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -775.695637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.695637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.695637 (E_RNA)
where:
Base-Base interactions energy: -525.994
where: short stacking energy: -243.996
Base-Backbone interact. energy: -0.474
local terms energy: -249.227133
where:
bonds (distance) C4'-P energy: -44.051
bonds (distance) P-C4' energy: -48.766
flat angles C4'-P-C4' energy: -48.362
flat angles P-C4'-P energy: -37.826
tors. eta vs tors. theta energy: -70.223
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: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -765.879269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.879269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.879269 (E_RNA)
where:
Base-Base interactions energy: -534.872
where: short stacking energy: -225.603
Base-Backbone interact. energy: -1.300
local terms energy: -229.707783
where:
bonds (distance) C4'-P energy: -46.589
bonds (distance) P-C4' energy: -37.535
flat angles C4'-P-C4' energy: -50.033
flat angles P-C4'-P energy: -32.654
tors. eta vs tors. theta energy: -62.898
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: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -698.626353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.626353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.626353 (E_RNA)
where:
Base-Base interactions energy: -481.152
where: short stacking energy: -201.159
Base-Backbone interact. energy: -3.472
local terms energy: -214.002935
where:
bonds (distance) C4'-P energy: -35.653
bonds (distance) P-C4' energy: -47.056
flat angles C4'-P-C4' energy: -43.077
flat angles P-C4'-P energy: -32.824
tors. eta vs tors. theta energy: -55.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -697.201935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.201935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.201935 (E_RNA)
where:
Base-Base interactions energy: -490.638
where: short stacking energy: -203.999
Base-Backbone interact. energy: -0.040
local terms energy: -206.524279
where:
bonds (distance) C4'-P energy: -38.853
bonds (distance) P-C4' energy: -31.457
flat angles C4'-P-C4' energy: -52.318
flat angles P-C4'-P energy: -27.238
tors. eta vs tors. theta energy: -56.658
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: 3
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -524.628914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.628914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.628914 (E_RNA)
where:
Base-Base interactions energy: -342.274
where: short stacking energy: -156.200
Base-Backbone interact. energy: -1.335
local terms energy: -181.020030
where:
bonds (distance) C4'-P energy: -36.749
bonds (distance) P-C4' energy: -39.471
flat angles C4'-P-C4' energy: -44.611
flat angles P-C4'-P energy: -25.544
tors. eta vs tors. theta energy: -34.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -572.853628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.853628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.853628 (E_RNA)
where:
Base-Base interactions energy: -375.137
where: short stacking energy: -171.687
Base-Backbone interact. energy: -0.940
local terms energy: -196.776300
where:
bonds (distance) C4'-P energy: -45.130
bonds (distance) P-C4' energy: -38.105
flat angles C4'-P-C4' energy: -39.094
flat angles P-C4'-P energy: -37.549
tors. eta vs tors. theta energy: -36.899
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: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -423.348597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.348597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.348597 (E_RNA)
where:
Base-Base interactions energy: -252.814
where: short stacking energy: -137.212
Base-Backbone interact. energy: 0.237
local terms energy: -170.771838
where:
bonds (distance) C4'-P energy: -42.437
bonds (distance) P-C4' energy: -42.622
flat angles C4'-P-C4' energy: -41.048
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: -24.536
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: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -228.722869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.722869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.722869 (E_RNA)
where:
Base-Base interactions energy: -104.550
where: short stacking energy: -60.367
Base-Backbone interact. energy: 3.718
local terms energy: -127.891531
where:
bonds (distance) C4'-P energy: -37.491
bonds (distance) P-C4' energy: -43.756
flat angles C4'-P-C4' energy: -38.775
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: 7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -848.530114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.530114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.530114 (E_RNA)
where:
Base-Base interactions energy: -594.881
where: short stacking energy: -236.815
Base-Backbone interact. energy: -2.827
local terms energy: -250.821934
where:
bonds (distance) C4'-P energy: -45.256
bonds (distance) P-C4' energy: -45.523
flat angles C4'-P-C4' energy: -55.913
flat angles P-C4'-P energy: -42.795
tors. eta vs tors. theta energy: -61.336
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: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -818.620312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.620312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.620312 (E_RNA)
where:
Base-Base interactions energy: -559.214
where: short stacking energy: -250.527
Base-Backbone interact. energy: -0.638
local terms energy: -258.768400
where:
bonds (distance) C4'-P energy: -45.287
bonds (distance) P-C4' energy: -50.369
flat angles C4'-P-C4' energy: -50.640
flat angles P-C4'-P energy: -38.168
tors. eta vs tors. theta energy: -74.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -796.614552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.614552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.614552 (E_RNA)
where:
Base-Base interactions energy: -540.210
where: short stacking energy: -245.645
Base-Backbone interact. energy: -1.112
local terms energy: -255.293135
where:
bonds (distance) C4'-P energy: -40.484
bonds (distance) P-C4' energy: -54.893
flat angles C4'-P-C4' energy: -51.523
flat angles P-C4'-P energy: -33.950
tors. eta vs tors. theta energy: -74.444
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: 282
Temperature: 1.050000
Total energy: -760.579839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.579839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.579839 (E_RNA)
where:
Base-Base interactions energy: -536.463
where: short stacking energy: -220.906
Base-Backbone interact. energy: 0.081
local terms energy: -224.197462
where:
bonds (distance) C4'-P energy: -46.684
bonds (distance) P-C4' energy: -45.872
flat angles C4'-P-C4' energy: -50.572
flat angles P-C4'-P energy: -26.903
tors. eta vs tors. theta energy: -54.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -723.039895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.039895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.039895 (E_RNA)
where:
Base-Base interactions energy: -504.325
where: short stacking energy: -213.713
Base-Backbone interact. energy: -1.402
local terms energy: -217.313071
where:
bonds (distance) C4'-P energy: -40.437
bonds (distance) P-C4' energy: -49.030
flat angles C4'-P-C4' energy: -43.742
flat angles P-C4'-P energy: -31.335
tors. eta vs tors. theta energy: -52.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -672.820156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.820156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.820156 (E_RNA)
where:
Base-Base interactions energy: -454.382
where: short stacking energy: -194.524
Base-Backbone interact. energy: -1.191
local terms energy: -217.246917
where:
bonds (distance) C4'-P energy: -44.408
bonds (distance) P-C4' energy: -42.159
flat angles C4'-P-C4' energy: -51.338
flat angles P-C4'-P energy: -25.313
tors. eta vs tors. theta energy: -54.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -532.886107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.886107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.886107 (E_RNA)
where:
Base-Base interactions energy: -355.795
where: short stacking energy: -185.376
Base-Backbone interact. energy: -0.119
local terms energy: -176.972465
where:
bonds (distance) C4'-P energy: -29.212
bonds (distance) P-C4' energy: -38.458
flat angles C4'-P-C4' energy: -47.631
flat angles P-C4'-P energy: -23.297
tors. eta vs tors. theta energy: -38.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -565.008609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.008609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.008609 (E_RNA)
where:
Base-Base interactions energy: -369.462
where: short stacking energy: -174.104
Base-Backbone interact. energy: -0.456
local terms energy: -195.090029
where:
bonds (distance) C4'-P energy: -37.208
bonds (distance) P-C4' energy: -53.597
flat angles C4'-P-C4' energy: -39.337
flat angles P-C4'-P energy: -27.802
tors. eta vs tors. theta energy: -37.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -462.950001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.950001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.950001 (E_RNA)
where:
Base-Base interactions energy: -289.260
where: short stacking energy: -123.824
Base-Backbone interact. energy: -0.893
local terms energy: -172.797148
where:
bonds (distance) C4'-P energy: -47.239
bonds (distance) P-C4' energy: -44.807
flat angles C4'-P-C4' energy: -45.432
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -214.407636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.407636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.407636 (E_RNA)
where:
Base-Base interactions energy: -78.728
where: short stacking energy: -72.105
Base-Backbone interact. energy: -0.255
local terms energy: -135.424482
where:
bonds (distance) C4'-P energy: -40.964
bonds (distance) P-C4' energy: -43.856
flat angles C4'-P-C4' energy: -28.253
flat angles P-C4'-P energy: -23.197
tors. eta vs tors. theta energy: 0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -848.613877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.613877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.613877 (E_RNA)
where:
Base-Base interactions energy: -600.479
where: short stacking energy: -236.758
Base-Backbone interact. energy: -2.981
local terms energy: -245.153933
where:
bonds (distance) C4'-P energy: -45.505
bonds (distance) P-C4' energy: -50.221
flat angles C4'-P-C4' energy: -52.209
flat angles P-C4'-P energy: -39.348
tors. eta vs tors. theta energy: -57.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -831.773823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.773823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.773823 (E_RNA)
where:
Base-Base interactions energy: -566.413
where: short stacking energy: -243.331
Base-Backbone interact. energy: -0.553
local terms energy: -264.808520
where:
bonds (distance) C4'-P energy: -44.529
bonds (distance) P-C4' energy: -49.922
flat angles C4'-P-C4' energy: -54.045
flat angles P-C4'-P energy: -40.206
tors. eta vs tors. theta energy: -76.107
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: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -773.702834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.702834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.702834 (E_RNA)
where:
Base-Base interactions energy: -517.939
where: short stacking energy: -230.016
Base-Backbone interact. energy: -0.562
local terms energy: -255.202431
where:
bonds (distance) C4'-P energy: -48.599
bonds (distance) P-C4' energy: -42.251
flat angles C4'-P-C4' energy: -57.782
flat angles P-C4'-P energy: -37.581
tors. eta vs tors. theta energy: -68.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -774.711987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.711987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.711987 (E_RNA)
where:
Base-Base interactions energy: -550.509
where: short stacking energy: -227.635
Base-Backbone interact. energy: -2.077
local terms energy: -222.126523
where:
bonds (distance) C4'-P energy: -38.909
bonds (distance) P-C4' energy: -43.996
flat angles C4'-P-C4' energy: -49.267
flat angles P-C4'-P energy: -31.876
tors. eta vs tors. theta energy: -58.077
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: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -725.163165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.163165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.163165 (E_RNA)
where:
Base-Base interactions energy: -500.964
where: short stacking energy: -224.017
Base-Backbone interact. energy: -1.381
local terms energy: -222.818669
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -37.380
flat angles C4'-P-C4' energy: -45.760
flat angles P-C4'-P energy: -35.371
tors. eta vs tors. theta energy: -65.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -673.232921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.232921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.232921 (E_RNA)
where:
Base-Base interactions energy: -447.307
where: short stacking energy: -201.021
Base-Backbone interact. energy: -0.557
local terms energy: -225.368721
where:
bonds (distance) C4'-P energy: -43.051
bonds (distance) P-C4' energy: -56.398
flat angles C4'-P-C4' energy: -44.139
flat angles P-C4'-P energy: -28.410
tors. eta vs tors. theta energy: -53.370
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: 283
Temperature: 1.200000
Total energy: -544.643799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.643799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.643799 (E_RNA)
where:
Base-Base interactions energy: -360.225
where: short stacking energy: -174.014
Base-Backbone interact. energy: -1.525
local terms energy: -182.893278
where:
bonds (distance) C4'-P energy: -39.585
bonds (distance) P-C4' energy: -42.004
flat angles C4'-P-C4' energy: -48.044
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -29.630
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: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -533.431442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.431442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.431442 (E_RNA)
where:
Base-Base interactions energy: -356.370
where: short stacking energy: -162.090
Base-Backbone interact. energy: -0.253
local terms energy: -176.808613
where:
bonds (distance) C4'-P energy: -34.026
bonds (distance) P-C4' energy: -29.012
flat angles C4'-P-C4' energy: -44.237
flat angles P-C4'-P energy: -28.767
tors. eta vs tors. theta energy: -40.766
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: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -478.230530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.230530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.230530 (E_RNA)
where:
Base-Base interactions energy: -303.073
where: short stacking energy: -157.277
Base-Backbone interact. energy: -0.207
local terms energy: -174.951238
where:
bonds (distance) C4'-P energy: -37.579
bonds (distance) P-C4' energy: -48.067
flat angles C4'-P-C4' energy: -39.363
flat angles P-C4'-P energy: -21.996
tors. eta vs tors. theta energy: -27.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -217.998051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.998051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.998051 (E_RNA)
where:
Base-Base interactions energy: -86.226
where: short stacking energy: -62.101
Base-Backbone interact. energy: 0.670
local terms energy: -132.441104
where:
bonds (distance) C4'-P energy: -38.573
bonds (distance) P-C4' energy: -34.559
flat angles C4'-P-C4' energy: -28.287
flat angles P-C4'-P energy: -27.474
tors. eta vs tors. theta energy: -3.548
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: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -845.770114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.770114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.770114 (E_RNA)
where:
Base-Base interactions energy: -568.096
where: short stacking energy: -259.445
Base-Backbone interact. energy: -0.578
local terms energy: -277.096102
where:
bonds (distance) C4'-P energy: -47.745
bonds (distance) P-C4' energy: -57.767
flat angles C4'-P-C4' energy: -55.859
flat angles P-C4'-P energy: -38.268
tors. eta vs tors. theta energy: -77.457
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: 284
Temperature: 0.950000
Total energy: -846.743922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.743922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.743922 (E_RNA)
where:
Base-Base interactions energy: -600.815
where: short stacking energy: -250.391
Base-Backbone interact. energy: -1.702
local terms energy: -244.227228
where:
bonds (distance) C4'-P energy: -50.079
bonds (distance) P-C4' energy: -49.805
flat angles C4'-P-C4' energy: -50.328
flat angles P-C4'-P energy: -31.078
tors. eta vs tors. theta energy: -62.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -774.449313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.449313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.449313 (E_RNA)
where:
Base-Base interactions energy: -535.209
where: short stacking energy: -239.897
Base-Backbone interact. energy: -2.028
local terms energy: -237.212596
where:
bonds (distance) C4'-P energy: -42.911
bonds (distance) P-C4' energy: -44.207
flat angles C4'-P-C4' energy: -54.777
flat angles P-C4'-P energy: -30.422
tors. eta vs tors. theta energy: -64.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -750.862595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.862595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.862595 (E_RNA)
where:
Base-Base interactions energy: -525.552
where: short stacking energy: -212.250
Base-Backbone interact. energy: -1.674
local terms energy: -223.636457
where:
bonds (distance) C4'-P energy: -43.593
bonds (distance) P-C4' energy: -42.776
flat angles C4'-P-C4' energy: -41.794
flat angles P-C4'-P energy: -38.519
tors. eta vs tors. theta energy: -56.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -711.777279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.777279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.777279 (E_RNA)
where:
Base-Base interactions energy: -474.359
where: short stacking energy: -212.088
Base-Backbone interact. energy: -0.949
local terms energy: -236.469075
where:
bonds (distance) C4'-P energy: -47.258
bonds (distance) P-C4' energy: -53.072
flat angles C4'-P-C4' energy: -47.210
flat angles P-C4'-P energy: -28.527
tors. eta vs tors. theta energy: -60.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -647.800714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.800714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.800714 (E_RNA)
where:
Base-Base interactions energy: -443.263
where: short stacking energy: -188.262
Base-Backbone interact. energy: -3.621
local terms energy: -200.917129
where:
bonds (distance) C4'-P energy: -34.473
bonds (distance) P-C4' energy: -42.299
flat angles C4'-P-C4' energy: -44.314
flat angles P-C4'-P energy: -29.699
tors. eta vs tors. theta energy: -50.132
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: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -588.086262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.086262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.086262 (E_RNA)
where:
Base-Base interactions energy: -380.194
where: short stacking energy: -169.995
Base-Backbone interact. energy: -1.628
local terms energy: -206.264523
where:
bonds (distance) C4'-P energy: -47.888
bonds (distance) P-C4' energy: -41.093
flat angles C4'-P-C4' energy: -48.342
flat angles P-C4'-P energy: -33.151
tors. eta vs tors. theta energy: -35.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -563.536270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.536270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.536270 (E_RNA)
where:
Base-Base interactions energy: -371.096
where: short stacking energy: -150.791
Base-Backbone interact. energy: -2.308
local terms energy: -190.132149
where:
bonds (distance) C4'-P energy: -41.856
bonds (distance) P-C4' energy: -41.522
flat angles C4'-P-C4' energy: -51.420
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: -35.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -465.801682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.801682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.801682 (E_RNA)
where:
Base-Base interactions energy: -288.024
where: short stacking energy: -135.289
Base-Backbone interact. energy: -0.388
local terms energy: -177.390299
where:
bonds (distance) C4'-P energy: -38.195
bonds (distance) P-C4' energy: -39.616
flat angles C4'-P-C4' energy: -39.092
flat angles P-C4'-P energy: -29.343
tors. eta vs tors. theta energy: -31.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -210.629867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.629867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.629867 (E_RNA)
where:
Base-Base interactions energy: -78.132
where: short stacking energy: -64.609
Base-Backbone interact. energy: -0.753
local terms energy: -131.745209
where:
bonds (distance) C4'-P energy: -44.558
bonds (distance) P-C4' energy: -44.632
flat angles C4'-P-C4' energy: -37.048
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: 11.173
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: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -862.973364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.973364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.973364 (E_RNA)
where:
Base-Base interactions energy: -589.616
where: short stacking energy: -276.378
Base-Backbone interact. energy: -0.720
local terms energy: -272.638138
where:
bonds (distance) C4'-P energy: -46.599
bonds (distance) P-C4' energy: -48.340
flat angles C4'-P-C4' energy: -55.451
flat angles P-C4'-P energy: -39.256
tors. eta vs tors. theta energy: -82.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -797.287937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.287937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.287937 (E_RNA)
where:
Base-Base interactions energy: -543.286
where: short stacking energy: -234.539
Base-Backbone interact. energy: -0.955
local terms energy: -253.047575
where:
bonds (distance) C4'-P energy: -54.461
bonds (distance) P-C4' energy: -45.726
flat angles C4'-P-C4' energy: -49.096
flat angles P-C4'-P energy: -30.745
tors. eta vs tors. theta energy: -73.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -819.889834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.889834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.889834 (E_RNA)
where:
Base-Base interactions energy: -590.586
where: short stacking energy: -235.046
Base-Backbone interact. energy: -1.902
local terms energy: -227.401934
where:
bonds (distance) C4'-P energy: -38.383
bonds (distance) P-C4' energy: -52.929
flat angles C4'-P-C4' energy: -46.814
flat angles P-C4'-P energy: -29.707
tors. eta vs tors. theta energy: -59.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -776.261350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.261350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.261350 (E_RNA)
where:
Base-Base interactions energy: -561.387
where: short stacking energy: -228.672
Base-Backbone interact. energy: 4.131
local terms energy: -219.005361
where:
bonds (distance) C4'-P energy: -40.008
bonds (distance) P-C4' energy: -49.698
flat angles C4'-P-C4' energy: -48.896
flat angles P-C4'-P energy: -25.452
tors. eta vs tors. theta energy: -54.952
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: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -716.598664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.598664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.598664 (E_RNA)
where:
Base-Base interactions energy: -463.044
where: short stacking energy: -200.917
Base-Backbone interact. energy: -0.774
local terms energy: -252.780603
where:
bonds (distance) C4'-P energy: -55.077
bonds (distance) P-C4' energy: -48.272
flat angles C4'-P-C4' energy: -50.693
flat angles P-C4'-P energy: -34.535
tors. eta vs tors. theta energy: -64.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -672.540574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.540574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.540574 (E_RNA)
where:
Base-Base interactions energy: -460.128
where: short stacking energy: -206.766
Base-Backbone interact. energy: -2.531
local terms energy: -209.881456
where:
bonds (distance) C4'-P energy: -45.801
bonds (distance) P-C4' energy: -40.137
flat angles C4'-P-C4' energy: -47.909
flat angles P-C4'-P energy: -29.427
tors. eta vs tors. theta energy: -46.607
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: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -575.289681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.289681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.289681 (E_RNA)
where:
Base-Base interactions energy: -389.123
where: short stacking energy: -175.223
Base-Backbone interact. energy: 0.689
local terms energy: -186.856379
where:
bonds (distance) C4'-P energy: -37.225
bonds (distance) P-C4' energy: -35.834
flat angles C4'-P-C4' energy: -46.814
flat angles P-C4'-P energy: -29.772
tors. eta vs tors. theta energy: -37.212
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: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -517.560431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.560431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.560431 (E_RNA)
where:
Base-Base interactions energy: -331.037
where: short stacking energy: -153.306
Base-Backbone interact. energy: -0.410
local terms energy: -186.114082
where:
bonds (distance) C4'-P energy: -43.034
bonds (distance) P-C4' energy: -42.453
flat angles C4'-P-C4' energy: -43.601
flat angles P-C4'-P energy: -24.213
tors. eta vs tors. theta energy: -32.813
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: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -557.068658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.068658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.068658 (E_RNA)
where:
Base-Base interactions energy: -376.244
where: short stacking energy: -169.582
Base-Backbone interact. energy: -1.376
local terms energy: -179.448724
where:
bonds (distance) C4'-P energy: -30.456
bonds (distance) P-C4' energy: -36.981
flat angles C4'-P-C4' energy: -44.159
flat angles P-C4'-P energy: -34.337
tors. eta vs tors. theta energy: -33.515
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: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -262.847227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.847227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.847227 (E_RNA)
where:
Base-Base interactions energy: -125.865
where: short stacking energy: -72.163
Base-Backbone interact. energy: -0.528
local terms energy: -136.454062
where:
bonds (distance) C4'-P energy: -34.907
bonds (distance) P-C4' energy: -45.640
flat angles C4'-P-C4' energy: -33.349
flat angles P-C4'-P energy: -25.845
tors. eta vs tors. theta energy: 3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -843.297207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.297207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.297207 (E_RNA)
where:
Base-Base interactions energy: -580.778
where: short stacking energy: -269.044
Base-Backbone interact. energy: -0.531
local terms energy: -261.987696
where:
bonds (distance) C4'-P energy: -51.956
bonds (distance) P-C4' energy: -40.111
flat angles C4'-P-C4' energy: -54.492
flat angles P-C4'-P energy: -42.101
tors. eta vs tors. theta energy: -73.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -819.481066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.481066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.481066 (E_RNA)
where:
Base-Base interactions energy: -554.524
where: short stacking energy: -249.987
Base-Backbone interact. energy: -0.813
local terms energy: -264.144511
where:
bonds (distance) C4'-P energy: -47.331
bonds (distance) P-C4' energy: -49.321
flat angles C4'-P-C4' energy: -48.511
flat angles P-C4'-P energy: -40.598
tors. eta vs tors. theta energy: -78.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -803.559191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.559191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.559191 (E_RNA)
where:
Base-Base interactions energy: -573.298
where: short stacking energy: -236.146
Base-Backbone interact. energy: -0.231
local terms energy: -230.029718
where:
bonds (distance) C4'-P energy: -41.774
bonds (distance) P-C4' energy: -42.767
flat angles C4'-P-C4' energy: -57.931
flat angles P-C4'-P energy: -26.539
tors. eta vs tors. theta energy: -61.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -812.944548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.944548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.944548 (E_RNA)
where:
Base-Base interactions energy: -571.125
where: short stacking energy: -231.908
Base-Backbone interact. energy: -0.073
local terms energy: -241.746511
where:
bonds (distance) C4'-P energy: -45.728
bonds (distance) P-C4' energy: -46.864
flat angles C4'-P-C4' energy: -52.300
flat angles P-C4'-P energy: -33.275
tors. eta vs tors. theta energy: -63.578
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: 5, replica: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -727.042932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.042932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.042932 (E_RNA)
where:
Base-Base interactions energy: -500.635
where: short stacking energy: -205.088
Base-Backbone interact. energy: -0.046
local terms energy: -226.362158
where:
bonds (distance) C4'-P energy: -52.230
bonds (distance) P-C4' energy: -40.735
flat angles C4'-P-C4' energy: -47.211
flat angles P-C4'-P energy: -29.793
tors. eta vs tors. theta energy: -56.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -640.218037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.218037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.218037 (E_RNA)
where:
Base-Base interactions energy: -427.132
where: short stacking energy: -185.027
Base-Backbone interact. energy: 0.726
local terms energy: -213.811982
where:
bonds (distance) C4'-P energy: -45.748
bonds (distance) P-C4' energy: -46.850
flat angles C4'-P-C4' energy: -46.465
flat angles P-C4'-P energy: -28.661
tors. eta vs tors. theta energy: -46.087
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: 9
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -534.771222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.771222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.771222 (E_RNA)
where:
Base-Base interactions energy: -352.040
where: short stacking energy: -177.660
Base-Backbone interact. energy: -0.630
local terms energy: -182.101677
where:
bonds (distance) C4'-P energy: -30.926
bonds (distance) P-C4' energy: -33.991
flat angles C4'-P-C4' energy: -50.965
flat angles P-C4'-P energy: -35.680
tors. eta vs tors. theta energy: -30.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -532.097993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.097993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.097993 (E_RNA)
where:
Base-Base interactions energy: -328.672
where: short stacking energy: -171.099
Base-Backbone interact. energy: -0.507
local terms energy: -202.919589
where:
bonds (distance) C4'-P energy: -43.906
bonds (distance) P-C4' energy: -42.257
flat angles C4'-P-C4' energy: -46.102
flat angles P-C4'-P energy: -31.459
tors. eta vs tors. theta energy: -39.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -523.493295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.493295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.493295 (E_RNA)
where:
Base-Base interactions energy: -325.677
where: short stacking energy: -145.381
Base-Backbone interact. energy: -1.452
local terms energy: -196.364187
where:
bonds (distance) C4'-P energy: -46.213
bonds (distance) P-C4' energy: -40.261
flat angles C4'-P-C4' energy: -41.210
flat angles P-C4'-P energy: -27.528
tors. eta vs tors. theta energy: -41.153
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: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -278.663634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.663634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.663634 (E_RNA)
where:
Base-Base interactions energy: -157.149
where: short stacking energy: -83.670
Base-Backbone interact. energy: 2.428
local terms energy: -123.942795
where:
bonds (distance) C4'-P energy: -39.154
bonds (distance) P-C4' energy: -33.430
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -24.492
tors. eta vs tors. theta energy: -4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -851.756503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.756503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.756503 (E_RNA)
where:
Base-Base interactions energy: -578.509
where: short stacking energy: -262.856
Base-Backbone interact. energy: -1.357
local terms energy: -271.890076
where:
bonds (distance) C4'-P energy: -50.414
bonds (distance) P-C4' energy: -45.816
flat angles C4'-P-C4' energy: -55.426
flat angles P-C4'-P energy: -38.304
tors. eta vs tors. theta energy: -81.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -819.753599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.753599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.753599 (E_RNA)
where:
Base-Base interactions energy: -576.664
where: short stacking energy: -225.803
Base-Backbone interact. energy: -1.543
local terms energy: -241.546459
where:
bonds (distance) C4'-P energy: -51.954
bonds (distance) P-C4' energy: -47.474
flat angles C4'-P-C4' energy: -55.300
flat angles P-C4'-P energy: -33.153
tors. eta vs tors. theta energy: -53.665
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: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -802.938623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.938623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.938623 (E_RNA)
where:
Base-Base interactions energy: -549.237
where: short stacking energy: -241.646
Base-Backbone interact. energy: -0.872
local terms energy: -252.830303
where:
bonds (distance) C4'-P energy: -43.223
bonds (distance) P-C4' energy: -47.823
flat angles C4'-P-C4' energy: -57.359
flat angles P-C4'-P energy: -37.923
tors. eta vs tors. theta energy: -66.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -822.580351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.580351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.580351 (E_RNA)
where:
Base-Base interactions energy: -590.281
where: short stacking energy: -228.173
Base-Backbone interact. energy: 0.427
local terms energy: -232.725776
where:
bonds (distance) C4'-P energy: -46.281
bonds (distance) P-C4' energy: -44.364
flat angles C4'-P-C4' energy: -50.977
flat angles P-C4'-P energy: -40.587
tors. eta vs tors. theta energy: -50.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -713.333557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.333557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.333557 (E_RNA)
where:
Base-Base interactions energy: -491.391
where: short stacking energy: -211.191
Base-Backbone interact. energy: -0.494
local terms energy: -221.448131
where:
bonds (distance) C4'-P energy: -39.443
bonds (distance) P-C4' energy: -37.356
flat angles C4'-P-C4' energy: -47.399
flat angles P-C4'-P energy: -40.392
tors. eta vs tors. theta energy: -56.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -676.442396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.442396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.442396 (E_RNA)
where:
Base-Base interactions energy: -464.430
where: short stacking energy: -202.505
Base-Backbone interact. energy: -0.560
local terms energy: -211.452143
where:
bonds (distance) C4'-P energy: -37.653
bonds (distance) P-C4' energy: -38.911
flat angles C4'-P-C4' energy: -46.020
flat angles P-C4'-P energy: -35.954
tors. eta vs tors. theta energy: -52.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -540.546955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.546955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.546955 (E_RNA)
where:
Base-Base interactions energy: -333.022
where: short stacking energy: -161.416
Base-Backbone interact. energy: 0.300
local terms energy: -207.825232
where:
bonds (distance) C4'-P energy: -46.900
bonds (distance) P-C4' energy: -43.181
flat angles C4'-P-C4' energy: -46.865
flat angles P-C4'-P energy: -31.744
tors. eta vs tors. theta energy: -39.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -541.222773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.222773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.222773 (E_RNA)
where:
Base-Base interactions energy: -330.453
where: short stacking energy: -158.847
Base-Backbone interact. energy: -0.734
local terms energy: -210.035476
where:
bonds (distance) C4'-P energy: -43.590
bonds (distance) P-C4' energy: -49.315
flat angles C4'-P-C4' energy: -49.739
flat angles P-C4'-P energy: -25.903
tors. eta vs tors. theta energy: -41.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -523.904433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.904433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.904433 (E_RNA)
where:
Base-Base interactions energy: -345.086
where: short stacking energy: -166.131
Base-Backbone interact. energy: -0.905
local terms energy: -177.913099
where:
bonds (distance) C4'-P energy: -37.742
bonds (distance) P-C4' energy: -42.016
flat angles C4'-P-C4' energy: -36.844
flat angles P-C4'-P energy: -21.489
tors. eta vs tors. theta energy: -39.823
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: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -321.370308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.370308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.370308 (E_RNA)
where:
Base-Base interactions energy: -165.657
where: short stacking energy: -93.969
Base-Backbone interact. energy: 0.651
local terms energy: -156.364044
where:
bonds (distance) C4'-P energy: -41.369
bonds (distance) P-C4' energy: -41.243
flat angles C4'-P-C4' energy: -35.599
flat angles P-C4'-P energy: -28.300
tors. eta vs tors. theta energy: -9.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -854.876591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.876591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.876591 (E_RNA)
where:
Base-Base interactions energy: -574.096
where: short stacking energy: -265.009
Base-Backbone interact. energy: -0.441
local terms energy: -280.338812
where:
bonds (distance) C4'-P energy: -53.446
bonds (distance) P-C4' energy: -54.952
flat angles C4'-P-C4' energy: -51.647
flat angles P-C4'-P energy: -36.561
tors. eta vs tors. theta energy: -83.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -820.612219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.612219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.612219 (E_RNA)
where:
Base-Base interactions energy: -562.025
where: short stacking energy: -223.364
Base-Backbone interact. energy: -0.789
local terms energy: -257.798487
where:
bonds (distance) C4'-P energy: -50.643
bonds (distance) P-C4' energy: -55.396
flat angles C4'-P-C4' energy: -58.351
flat angles P-C4'-P energy: -38.099
tors. eta vs tors. theta energy: -55.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -823.301627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.301627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.301627 (E_RNA)
where:
Base-Base interactions energy: -585.499
where: short stacking energy: -226.838
Base-Backbone interact. energy: -3.025
local terms energy: -234.777149
where:
bonds (distance) C4'-P energy: -42.772
bonds (distance) P-C4' energy: -45.038
flat angles C4'-P-C4' energy: -45.861
flat angles P-C4'-P energy: -41.590
tors. eta vs tors. theta energy: -59.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -756.306022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.306022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.306022 (E_RNA)
where:
Base-Base interactions energy: -503.692
where: short stacking energy: -225.170
Base-Backbone interact. energy: -1.388
local terms energy: -251.226352
where:
bonds (distance) C4'-P energy: -36.669
bonds (distance) P-C4' energy: -46.082
flat angles C4'-P-C4' energy: -54.820
flat angles P-C4'-P energy: -42.881
tors. eta vs tors. theta energy: -70.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -678.723505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.723505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.723505 (E_RNA)
where:
Base-Base interactions energy: -461.699
where: short stacking energy: -191.901
Base-Backbone interact. energy: -3.401
local terms energy: -213.623118
where:
bonds (distance) C4'-P energy: -50.651
bonds (distance) P-C4' energy: -41.319
flat angles C4'-P-C4' energy: -42.662
flat angles P-C4'-P energy: -32.378
tors. eta vs tors. theta energy: -46.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -693.690292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.690292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.690292 (E_RNA)
where:
Base-Base interactions energy: -469.126
where: short stacking energy: -207.574
Base-Backbone interact. energy: -2.045
local terms energy: -222.519635
where:
bonds (distance) C4'-P energy: -39.568
bonds (distance) P-C4' energy: -51.209
flat angles C4'-P-C4' energy: -41.744
flat angles P-C4'-P energy: -38.760
tors. eta vs tors. theta energy: -51.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -564.121293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.121293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.121293 (E_RNA)
where:
Base-Base interactions energy: -357.998
where: short stacking energy: -159.337
Base-Backbone interact. energy: -0.717
local terms energy: -205.407010
where:
bonds (distance) C4'-P energy: -39.247
bonds (distance) P-C4' energy: -44.373
flat angles C4'-P-C4' energy: -47.510
flat angles P-C4'-P energy: -38.518
tors. eta vs tors. theta energy: -35.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -489.695126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.695126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.695126 (E_RNA)
where:
Base-Base interactions energy: -313.313
where: short stacking energy: -160.481
Base-Backbone interact. energy: -0.350
local terms energy: -176.032105
where:
bonds (distance) C4'-P energy: -33.816
bonds (distance) P-C4' energy: -34.880
flat angles C4'-P-C4' energy: -48.828
flat angles P-C4'-P energy: -27.871
tors. eta vs tors. theta energy: -30.637
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: 3
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -505.747536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.747536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.747536 (E_RNA)
where:
Base-Base interactions energy: -320.664
where: short stacking energy: -135.874
Base-Backbone interact. energy: 1.845
local terms energy: -186.929275
where:
bonds (distance) C4'-P energy: -39.029
bonds (distance) P-C4' energy: -39.221
flat angles C4'-P-C4' energy: -48.275
flat angles P-C4'-P energy: -28.597
tors. eta vs tors. theta energy: -31.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -347.782337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.782337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.782337 (E_RNA)
where:
Base-Base interactions energy: -206.224
where: short stacking energy: -100.564
Base-Backbone interact. energy: 2.461
local terms energy: -144.019910
where:
bonds (distance) C4'-P energy: -31.533
bonds (distance) P-C4' energy: -40.613
flat angles C4'-P-C4' energy: -35.093
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -18.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -841.307866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.307866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.307866 (E_RNA)
where:
Base-Base interactions energy: -582.462
where: short stacking energy: -262.643
Base-Backbone interact. energy: -0.992
local terms energy: -257.853326
where:
bonds (distance) C4'-P energy: -42.144
bonds (distance) P-C4' energy: -52.969
flat angles C4'-P-C4' energy: -51.738
flat angles P-C4'-P energy: -33.588
tors. eta vs tors. theta energy: -77.414
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: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -825.839398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.839398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.839398 (E_RNA)
where:
Base-Base interactions energy: -585.736
where: short stacking energy: -229.066
Base-Backbone interact. energy: 1.545
local terms energy: -241.648207
where:
bonds (distance) C4'-P energy: -40.715
bonds (distance) P-C4' energy: -48.374
flat angles C4'-P-C4' energy: -57.901
flat angles P-C4'-P energy: -35.087
tors. eta vs tors. theta energy: -59.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -798.184860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.184860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.184860 (E_RNA)
where:
Base-Base interactions energy: -564.135
where: short stacking energy: -231.530
Base-Backbone interact. energy: 1.407
local terms energy: -235.456414
where:
bonds (distance) C4'-P energy: -41.638
bonds (distance) P-C4' energy: -55.062
flat angles C4'-P-C4' energy: -48.065
flat angles P-C4'-P energy: -34.759
tors. eta vs tors. theta energy: -55.933
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: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -753.240904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.240904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.240904 (E_RNA)
where:
Base-Base interactions energy: -514.769
where: short stacking energy: -231.587
Base-Backbone interact. energy: -0.178
local terms energy: -238.294108
where:
bonds (distance) C4'-P energy: -41.850
bonds (distance) P-C4' energy: -47.934
flat angles C4'-P-C4' energy: -53.534
flat angles P-C4'-P energy: -30.055
tors. eta vs tors. theta energy: -64.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -672.703466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.703466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.703466 (E_RNA)
where:
Base-Base interactions energy: -449.027
where: short stacking energy: -189.875
Base-Backbone interact. energy: -0.466
local terms energy: -223.210579
where:
bonds (distance) C4'-P energy: -45.901
bonds (distance) P-C4' energy: -53.022
flat angles C4'-P-C4' energy: -48.439
flat angles P-C4'-P energy: -30.540
tors. eta vs tors. theta energy: -45.309
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: 6, replica: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -691.246560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.246560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.246560 (E_RNA)
where:
Base-Base interactions energy: -470.318
where: short stacking energy: -208.967
Base-Backbone interact. energy: -1.401
local terms energy: -219.528156
where:
bonds (distance) C4'-P energy: -39.033
bonds (distance) P-C4' energy: -42.708
flat angles C4'-P-C4' energy: -49.675
flat angles P-C4'-P energy: -33.364
tors. eta vs tors. theta energy: -54.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -586.779007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.779007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.779007 (E_RNA)
where:
Base-Base interactions energy: -392.239
where: short stacking energy: -159.815
Base-Backbone interact. energy: -0.115
local terms energy: -194.425551
where:
bonds (distance) C4'-P energy: -48.178
bonds (distance) P-C4' energy: -40.993
flat angles C4'-P-C4' energy: -42.549
flat angles P-C4'-P energy: -26.539
tors. eta vs tors. theta energy: -36.166
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: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -524.626324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.626324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.626324 (E_RNA)
where:
Base-Base interactions energy: -336.203
where: short stacking energy: -159.983
Base-Backbone interact. energy: -0.689
local terms energy: -187.734486
where:
bonds (distance) C4'-P energy: -37.415
bonds (distance) P-C4' energy: -48.467
flat angles C4'-P-C4' energy: -39.974
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -33.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -455.029212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.029212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.029212 (E_RNA)
where:
Base-Base interactions energy: -271.249
where: short stacking energy: -134.409
Base-Backbone interact. energy: 1.329
local terms energy: -185.109455
where:
bonds (distance) C4'-P energy: -42.467
bonds (distance) P-C4' energy: -38.251
flat angles C4'-P-C4' energy: -49.612
flat angles P-C4'-P energy: -25.961
tors. eta vs tors. theta energy: -28.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -305.961333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.961333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.961333 (E_RNA)
where:
Base-Base interactions energy: -165.893
where: short stacking energy: -93.749
Base-Backbone interact. energy: -1.850
local terms energy: -138.217771
where:
bonds (distance) C4'-P energy: -33.089
bonds (distance) P-C4' energy: -35.412
flat angles C4'-P-C4' energy: -35.784
flat angles P-C4'-P energy: -25.829
tors. eta vs tors. theta energy: -8.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -856.015520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.015520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.015520 (E_RNA)
where:
Base-Base interactions energy: -568.875
where: short stacking energy: -260.606
Base-Backbone interact. energy: -0.113
local terms energy: -287.028177
where:
bonds (distance) C4'-P energy: -56.264
bonds (distance) P-C4' energy: -50.255
flat angles C4'-P-C4' energy: -56.495
flat angles P-C4'-P energy: -45.023
tors. eta vs tors. theta energy: -78.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -854.499453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.499453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.499453 (E_RNA)
where:
Base-Base interactions energy: -601.360
where: short stacking energy: -240.694
Base-Backbone interact. energy: -0.152
local terms energy: -252.987839
where:
bonds (distance) C4'-P energy: -48.471
bonds (distance) P-C4' energy: -44.609
flat angles C4'-P-C4' energy: -60.737
flat angles P-C4'-P energy: -34.449
tors. eta vs tors. theta energy: -64.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -805.785910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.785910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.785910 (E_RNA)
where:
Base-Base interactions energy: -585.873
where: short stacking energy: -234.007
Base-Backbone interact. energy: -0.690
local terms energy: -219.222776
where:
bonds (distance) C4'-P energy: -36.426
bonds (distance) P-C4' energy: -40.996
flat angles C4'-P-C4' energy: -49.547
flat angles P-C4'-P energy: -38.257
tors. eta vs tors. theta energy: -53.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -751.096391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.096391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.096391 (E_RNA)
where:
Base-Base interactions energy: -508.989
where: short stacking energy: -235.984
Base-Backbone interact. energy: -0.303
local terms energy: -241.804798
where:
bonds (distance) C4'-P energy: -43.502
bonds (distance) P-C4' energy: -46.486
flat angles C4'-P-C4' energy: -51.691
flat angles P-C4'-P energy: -35.678
tors. eta vs tors. theta energy: -64.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -704.147524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.147524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.147524 (E_RNA)
where:
Base-Base interactions energy: -465.883
where: short stacking energy: -214.983
Base-Backbone interact. energy: -0.824
local terms energy: -237.439972
where:
bonds (distance) C4'-P energy: -51.711
bonds (distance) P-C4' energy: -42.413
flat angles C4'-P-C4' energy: -50.467
flat angles P-C4'-P energy: -35.247
tors. eta vs tors. theta energy: -57.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -663.120429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.120429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.120429 (E_RNA)
where:
Base-Base interactions energy: -448.591
where: short stacking energy: -189.217
Base-Backbone interact. energy: -2.246
local terms energy: -212.283081
where:
bonds (distance) C4'-P energy: -38.220
bonds (distance) P-C4' energy: -49.554
flat angles C4'-P-C4' energy: -43.851
flat angles P-C4'-P energy: -31.754
tors. eta vs tors. theta energy: -48.904
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: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -565.509863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.509863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.509863 (E_RNA)
where:
Base-Base interactions energy: -372.804
where: short stacking energy: -187.374
Base-Backbone interact. energy: 0.839
local terms energy: -193.545256
where:
bonds (distance) C4'-P energy: -37.802
bonds (distance) P-C4' energy: -41.110
flat angles C4'-P-C4' energy: -41.059
flat angles P-C4'-P energy: -26.203
tors. eta vs tors. theta energy: -47.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -525.014206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.014206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.014206 (E_RNA)
where:
Base-Base interactions energy: -334.965
where: short stacking energy: -156.474
Base-Backbone interact. energy: -0.711
local terms energy: -189.338087
where:
bonds (distance) C4'-P energy: -38.602
bonds (distance) P-C4' energy: -40.891
flat angles C4'-P-C4' energy: -39.782
flat angles P-C4'-P energy: -35.029
tors. eta vs tors. theta energy: -35.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -417.982295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.982295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.982295 (E_RNA)
where:
Base-Base interactions energy: -254.886
where: short stacking energy: -117.116
Base-Backbone interact. energy: -0.716
local terms energy: -162.380002
where:
bonds (distance) C4'-P energy: -35.698
bonds (distance) P-C4' energy: -41.382
flat angles C4'-P-C4' energy: -34.765
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -19.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -287.101057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.101057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.101057 (E_RNA)
where:
Base-Base interactions energy: -141.792
where: short stacking energy: -73.820
Base-Backbone interact. energy: -0.510
local terms energy: -144.798928
where:
bonds (distance) C4'-P energy: -42.015
bonds (distance) P-C4' energy: -34.010
flat angles C4'-P-C4' energy: -32.218
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -847.857228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.857228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.857228 (E_RNA)
where:
Base-Base interactions energy: -577.769
where: short stacking energy: -269.722
Base-Backbone interact. energy: -1.783
local terms energy: -268.305905
where:
bonds (distance) C4'-P energy: -50.206
bonds (distance) P-C4' energy: -42.512
flat angles C4'-P-C4' energy: -55.467
flat angles P-C4'-P energy: -38.574
tors. eta vs tors. theta energy: -81.547
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: 291
Temperature: 0.950000
Total energy: -827.078151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.078151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.078151 (E_RNA)
where:
Base-Base interactions energy: -580.734
where: short stacking energy: -241.754
Base-Backbone interact. energy: -0.446
local terms energy: -245.897873
where:
bonds (distance) C4'-P energy: -52.294
bonds (distance) P-C4' energy: -41.883
flat angles C4'-P-C4' energy: -56.541
flat angles P-C4'-P energy: -38.621
tors. eta vs tors. theta energy: -56.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -781.425135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.425135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.425135 (E_RNA)
where:
Base-Base interactions energy: -556.171
where: short stacking energy: -229.620
Base-Backbone interact. energy: 1.166
local terms energy: -226.419969
where:
bonds (distance) C4'-P energy: -42.140
bonds (distance) P-C4' energy: -38.217
flat angles C4'-P-C4' energy: -54.434
flat angles P-C4'-P energy: -36.435
tors. eta vs tors. theta energy: -55.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -738.906293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.906293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.906293 (E_RNA)
where:
Base-Base interactions energy: -503.460
where: short stacking energy: -230.876
Base-Backbone interact. energy: -1.056
local terms energy: -234.390346
where:
bonds (distance) C4'-P energy: -38.590
bonds (distance) P-C4' energy: -45.916
flat angles C4'-P-C4' energy: -50.761
flat angles P-C4'-P energy: -31.697
tors. eta vs tors. theta energy: -67.427
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: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -706.088557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.088557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.088557 (E_RNA)
where:
Base-Base interactions energy: -487.849
where: short stacking energy: -219.096
Base-Backbone interact. energy: -1.118
local terms energy: -217.121026
where:
bonds (distance) C4'-P energy: -33.223
bonds (distance) P-C4' energy: -37.896
flat angles C4'-P-C4' energy: -41.473
flat angles P-C4'-P energy: -35.769
tors. eta vs tors. theta energy: -68.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -651.842172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.842172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.842172 (E_RNA)
where:
Base-Base interactions energy: -462.351
where: short stacking energy: -186.023
Base-Backbone interact. energy: -0.656
local terms energy: -188.835217
where:
bonds (distance) C4'-P energy: -42.574
bonds (distance) P-C4' energy: -36.315
flat angles C4'-P-C4' energy: -47.449
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -49.007
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: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -558.811482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.811482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.811482 (E_RNA)
where:
Base-Base interactions energy: -362.861
where: short stacking energy: -179.592
Base-Backbone interact. energy: 1.641
local terms energy: -197.591003
where:
bonds (distance) C4'-P energy: -33.707
bonds (distance) P-C4' energy: -46.438
flat angles C4'-P-C4' energy: -45.929
flat angles P-C4'-P energy: -30.711
tors. eta vs tors. theta energy: -40.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -470.592353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.592353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.592353 (E_RNA)
where:
Base-Base interactions energy: -301.130
where: short stacking energy: -141.779
Base-Backbone interact. energy: -0.599
local terms energy: -168.863626
where:
bonds (distance) C4'-P energy: -39.188
bonds (distance) P-C4' energy: -40.470
flat angles C4'-P-C4' energy: -34.908
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: -31.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -458.003115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.003115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.003115 (E_RNA)
where:
Base-Base interactions energy: -261.954
where: short stacking energy: -132.768
Base-Backbone interact. energy: -0.308
local terms energy: -195.741633
where:
bonds (distance) C4'-P energy: -49.269
bonds (distance) P-C4' energy: -41.745
flat angles C4'-P-C4' energy: -50.269
flat angles P-C4'-P energy: -30.718
tors. eta vs tors. theta energy: -23.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -262.068357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.068357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.068357 (E_RNA)
where:
Base-Base interactions energy: -118.731
where: short stacking energy: -83.033
Base-Backbone interact. energy: 0.243
local terms energy: -143.580419
where:
bonds (distance) C4'-P energy: -32.610
bonds (distance) P-C4' energy: -51.571
flat angles C4'-P-C4' energy: -42.049
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: 1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -844.397952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.397952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.397952 (E_RNA)
where:
Base-Base interactions energy: -583.177
where: short stacking energy: -256.799
Base-Backbone interact. energy: -0.387
local terms energy: -260.834082
where:
bonds (distance) C4'-P energy: -45.524
bonds (distance) P-C4' energy: -52.775
flat angles C4'-P-C4' energy: -55.020
flat angles P-C4'-P energy: -31.316
tors. eta vs tors. theta energy: -76.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -833.542909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.542909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.542909 (E_RNA)
where:
Base-Base interactions energy: -601.181
where: short stacking energy: -233.419
Base-Backbone interact. energy: -1.250
local terms energy: -231.112055
where:
bonds (distance) C4'-P energy: -41.265
bonds (distance) P-C4' energy: -50.826
flat angles C4'-P-C4' energy: -48.662
flat angles P-C4'-P energy: -36.055
tors. eta vs tors. theta energy: -54.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -779.772441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.772441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.772441 (E_RNA)
where:
Base-Base interactions energy: -550.250
where: short stacking energy: -221.766
Base-Backbone interact. energy: -0.514
local terms energy: -229.008673
where:
bonds (distance) C4'-P energy: -48.002
bonds (distance) P-C4' energy: -47.775
flat angles C4'-P-C4' energy: -46.390
flat angles P-C4'-P energy: -32.627
tors. eta vs tors. theta energy: -54.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -745.969074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.969074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.969074 (E_RNA)
where:
Base-Base interactions energy: -506.481
where: short stacking energy: -230.099
Base-Backbone interact. energy: -0.823
local terms energy: -238.665405
where:
bonds (distance) C4'-P energy: -42.711
bonds (distance) P-C4' energy: -42.643
flat angles C4'-P-C4' energy: -51.160
flat angles P-C4'-P energy: -35.082
tors. eta vs tors. theta energy: -67.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -711.422731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.422731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.422731 (E_RNA)
where:
Base-Base interactions energy: -483.711
where: short stacking energy: -212.436
Base-Backbone interact. energy: -0.524
local terms energy: -227.187079
where:
bonds (distance) C4'-P energy: -47.138
bonds (distance) P-C4' energy: -44.970
flat angles C4'-P-C4' energy: -45.205
flat angles P-C4'-P energy: -30.875
tors. eta vs tors. theta energy: -58.998
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: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -671.924291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.924291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.924291 (E_RNA)
where:
Base-Base interactions energy: -475.392
where: short stacking energy: -205.835
Base-Backbone interact. energy: -0.543
local terms energy: -195.989519
where:
bonds (distance) C4'-P energy: -33.515
bonds (distance) P-C4' energy: -36.395
flat angles C4'-P-C4' energy: -35.024
flat angles P-C4'-P energy: -32.202
tors. eta vs tors. theta energy: -58.853
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: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -533.689127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.689127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.689127 (E_RNA)
where:
Base-Base interactions energy: -352.532
where: short stacking energy: -169.618
Base-Backbone interact. energy: 1.855
local terms energy: -183.011826
where:
bonds (distance) C4'-P energy: -44.446
bonds (distance) P-C4' energy: -39.526
flat angles C4'-P-C4' energy: -41.953
flat angles P-C4'-P energy: -23.940
tors. eta vs tors. theta energy: -33.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -531.829295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.829295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.829295 (E_RNA)
where:
Base-Base interactions energy: -335.705
where: short stacking energy: -153.380
Base-Backbone interact. energy: 0.855
local terms energy: -196.979566
where:
bonds (distance) C4'-P energy: -39.670
bonds (distance) P-C4' energy: -50.250
flat angles C4'-P-C4' energy: -41.331
flat angles P-C4'-P energy: -34.070
tors. eta vs tors. theta energy: -31.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -399.459043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.459043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.459043 (E_RNA)
where:
Base-Base interactions energy: -244.305
where: short stacking energy: -128.358
Base-Backbone interact. energy: 0.014
local terms energy: -155.167864
where:
bonds (distance) C4'-P energy: -39.150
bonds (distance) P-C4' energy: -45.479
flat angles C4'-P-C4' energy: -32.840
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -21.794
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: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -222.761441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.761441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.761441 (E_RNA)
where:
Base-Base interactions energy: -96.443
where: short stacking energy: -61.183
Base-Backbone interact. energy: 0.535
local terms energy: -126.854192
where:
bonds (distance) C4'-P energy: -32.178
bonds (distance) P-C4' energy: -44.297
flat angles C4'-P-C4' energy: -32.096
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -834.495173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.495173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.495173 (E_RNA)
where:
Base-Base interactions energy: -573.700
where: short stacking energy: -267.080
Base-Backbone interact. energy: -0.547
local terms energy: -260.248199
where:
bonds (distance) C4'-P energy: -48.147
bonds (distance) P-C4' energy: -43.351
flat angles C4'-P-C4' energy: -54.055
flat angles P-C4'-P energy: -35.868
tors. eta vs tors. theta energy: -78.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -859.376772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.376772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.376772 (E_RNA)
where:
Base-Base interactions energy: -615.322
where: short stacking energy: -239.419
Base-Backbone interact. energy: -1.493
local terms energy: -242.561037
where:
bonds (distance) C4'-P energy: -50.702
bonds (distance) P-C4' energy: -45.206
flat angles C4'-P-C4' energy: -55.077
flat angles P-C4'-P energy: -37.289
tors. eta vs tors. theta energy: -54.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -814.478118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.478118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.478118 (E_RNA)
where:
Base-Base interactions energy: -564.528
where: short stacking energy: -238.093
Base-Backbone interact. energy: -0.145
local terms energy: -249.804750
where:
bonds (distance) C4'-P energy: -46.752
bonds (distance) P-C4' energy: -39.940
flat angles C4'-P-C4' energy: -54.651
flat angles P-C4'-P energy: -44.076
tors. eta vs tors. theta energy: -64.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -767.330508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.330508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.330508 (E_RNA)
where:
Base-Base interactions energy: -523.507
where: short stacking energy: -237.153
Base-Backbone interact. energy: -1.132
local terms energy: -242.691149
where:
bonds (distance) C4'-P energy: -45.403
bonds (distance) P-C4' energy: -41.857
flat angles C4'-P-C4' energy: -50.250
flat angles P-C4'-P energy: -33.168
tors. eta vs tors. theta energy: -72.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -718.171163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.171163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.171163 (E_RNA)
where:
Base-Base interactions energy: -481.659
where: short stacking energy: -205.768
Base-Backbone interact. energy: -0.218
local terms energy: -236.294836
where:
bonds (distance) C4'-P energy: -41.971
bonds (distance) P-C4' energy: -55.426
flat angles C4'-P-C4' energy: -53.428
flat angles P-C4'-P energy: -30.160
tors. eta vs tors. theta energy: -55.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -646.867687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.867687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.867687 (E_RNA)
where:
Base-Base interactions energy: -437.958
where: short stacking energy: -183.305
Base-Backbone interact. energy: -0.098
local terms energy: -208.811740
where:
bonds (distance) C4'-P energy: -34.744
bonds (distance) P-C4' energy: -46.445
flat angles C4'-P-C4' energy: -48.119
flat angles P-C4'-P energy: -34.718
tors. eta vs tors. theta energy: -44.787
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: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -600.556742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.556742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.556742 (E_RNA)
where:
Base-Base interactions energy: -396.480
where: short stacking energy: -178.245
Base-Backbone interact. energy: -0.938
local terms energy: -203.139392
where:
bonds (distance) C4'-P energy: -42.432
bonds (distance) P-C4' energy: -46.346
flat angles C4'-P-C4' energy: -47.752
flat angles P-C4'-P energy: -23.111
tors. eta vs tors. theta energy: -43.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -558.302195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.302195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.302195 (E_RNA)
where:
Base-Base interactions energy: -350.156
where: short stacking energy: -158.593
Base-Backbone interact. energy: 2.139
local terms energy: -210.284543
where:
bonds (distance) C4'-P energy: -42.586
bonds (distance) P-C4' energy: -46.286
flat angles C4'-P-C4' energy: -49.247
flat angles P-C4'-P energy: -29.134
tors. eta vs tors. theta energy: -43.031
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: 293
Temperature: 1.300000
Total energy: -356.331280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.331280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.331280 (E_RNA)
where:
Base-Base interactions energy: -216.878
where: short stacking energy: -112.091
Base-Backbone interact. energy: -0.547
local terms energy: -138.906660
where:
bonds (distance) C4'-P energy: -41.809
bonds (distance) P-C4' energy: -34.760
flat angles C4'-P-C4' energy: -33.284
flat angles P-C4'-P energy: -16.511
tors. eta vs tors. theta energy: -12.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -218.704669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.704669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.704669 (E_RNA)
where:
Base-Base interactions energy: -88.887
where: short stacking energy: -77.386
Base-Backbone interact. energy: 0.139
local terms energy: -129.956666
where:
bonds (distance) C4'-P energy: -34.084
bonds (distance) P-C4' energy: -45.026
flat angles C4'-P-C4' energy: -38.023
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: 2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -844.735957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.735957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.735957 (E_RNA)
where:
Base-Base interactions energy: -566.153
where: short stacking energy: -256.801
Base-Backbone interact. energy: -0.800
local terms energy: -277.783020
where:
bonds (distance) C4'-P energy: -51.131
bonds (distance) P-C4' energy: -48.862
flat angles C4'-P-C4' energy: -56.249
flat angles P-C4'-P energy: -39.818
tors. eta vs tors. theta energy: -81.723
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: 2, replica: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -840.802174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.802174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.802174 (E_RNA)
where:
Base-Base interactions energy: -604.580
where: short stacking energy: -239.854
Base-Backbone interact. energy: -1.064
local terms energy: -235.158064
where:
bonds (distance) C4'-P energy: -47.538
bonds (distance) P-C4' energy: -48.354
flat angles C4'-P-C4' energy: -46.254
flat angles P-C4'-P energy: -36.428
tors. eta vs tors. theta energy: -56.584
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: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -785.091359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.091359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.091359 (E_RNA)
where:
Base-Base interactions energy: -554.479
where: short stacking energy: -240.023
Base-Backbone interact. energy: 0.668
local terms energy: -231.280258
where:
bonds (distance) C4'-P energy: -43.112
bonds (distance) P-C4' energy: -41.570
flat angles C4'-P-C4' energy: -51.813
flat angles P-C4'-P energy: -33.904
tors. eta vs tors. theta energy: -60.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -751.669477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.669477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.669477 (E_RNA)
where:
Base-Base interactions energy: -503.525
where: short stacking energy: -232.209
Base-Backbone interact. energy: -1.144
local terms energy: -247.001259
where:
bonds (distance) C4'-P energy: -38.426
bonds (distance) P-C4' energy: -48.917
flat angles C4'-P-C4' energy: -55.179
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: -75.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -695.496951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.496951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.496951 (E_RNA)
where:
Base-Base interactions energy: -476.600
where: short stacking energy: -197.320
Base-Backbone interact. energy: -1.050
local terms energy: -217.846803
where:
bonds (distance) C4'-P energy: -37.761
bonds (distance) P-C4' energy: -51.822
flat angles C4'-P-C4' energy: -43.121
flat angles P-C4'-P energy: -30.242
tors. eta vs tors. theta energy: -54.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -642.441473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.441473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.441473 (E_RNA)
where:
Base-Base interactions energy: -442.989
where: short stacking energy: -192.302
Base-Backbone interact. energy: -0.755
local terms energy: -198.697089
where:
bonds (distance) C4'-P energy: -40.215
bonds (distance) P-C4' energy: -53.127
flat angles C4'-P-C4' energy: -39.467
flat angles P-C4'-P energy: -24.192
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: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -621.608534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.608534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.608534 (E_RNA)
where:
Base-Base interactions energy: -422.988
where: short stacking energy: -194.131
Base-Backbone interact. energy: 0.973
local terms energy: -199.593911
where:
bonds (distance) C4'-P energy: -41.730
bonds (distance) P-C4' energy: -39.989
flat angles C4'-P-C4' energy: -39.957
flat angles P-C4'-P energy: -29.660
tors. eta vs tors. theta energy: -48.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -538.900620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.900620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.900620 (E_RNA)
where:
Base-Base interactions energy: -352.437
where: short stacking energy: -173.463
Base-Backbone interact. energy: -1.536
local terms energy: -184.927667
where:
bonds (distance) C4'-P energy: -40.429
bonds (distance) P-C4' energy: -42.512
flat angles C4'-P-C4' energy: -40.505
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -43.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -367.408588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.408588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.408588 (E_RNA)
where:
Base-Base interactions energy: -207.868
where: short stacking energy: -113.119
Base-Backbone interact. energy: -1.179
local terms energy: -158.360809
where:
bonds (distance) C4'-P energy: -45.352
bonds (distance) P-C4' energy: -41.510
flat angles C4'-P-C4' energy: -36.758
flat angles P-C4'-P energy: -17.443
tors. eta vs tors. theta energy: -17.298
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: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -226.527529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.527529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.527529 (E_RNA)
where:
Base-Base interactions energy: -98.341
where: short stacking energy: -77.678
Base-Backbone interact. energy: 1.059
local terms energy: -129.245271
where:
bonds (distance) C4'-P energy: -32.457
bonds (distance) P-C4' energy: -40.163
flat angles C4'-P-C4' energy: -36.502
flat angles P-C4'-P energy: -18.754
tors. eta vs tors. theta energy: -1.370
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: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -848.370580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.370580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.370580 (E_RNA)
where:
Base-Base interactions energy: -576.530
where: short stacking energy: -256.323
Base-Backbone interact. energy: -1.034
local terms energy: -270.805976
where:
bonds (distance) C4'-P energy: -41.378
bonds (distance) P-C4' energy: -53.909
flat angles C4'-P-C4' energy: -53.766
flat angles P-C4'-P energy: -41.557
tors. eta vs tors. theta energy: -80.196
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: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -857.910336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.910336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.910336 (E_RNA)
where:
Base-Base interactions energy: -615.994
where: short stacking energy: -232.961
Base-Backbone interact. energy: 1.428
local terms energy: -243.344728
where:
bonds (distance) C4'-P energy: -39.053
bonds (distance) P-C4' energy: -52.800
flat angles C4'-P-C4' energy: -49.754
flat angles P-C4'-P energy: -41.516
tors. eta vs tors. theta energy: -60.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -767.860061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.860061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.860061 (E_RNA)
where:
Base-Base interactions energy: -530.956
where: short stacking energy: -230.386
Base-Backbone interact. energy: 0.427
local terms energy: -237.331799
where:
bonds (distance) C4'-P energy: -46.164
bonds (distance) P-C4' energy: -51.050
flat angles C4'-P-C4' energy: -50.533
flat angles P-C4'-P energy: -33.697
tors. eta vs tors. theta energy: -55.888
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: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -736.499669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.499669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.499669 (E_RNA)
where:
Base-Base interactions energy: -510.647
where: short stacking energy: -216.119
Base-Backbone interact. energy: -1.049
local terms energy: -224.803874
where:
bonds (distance) C4'-P energy: -40.288
bonds (distance) P-C4' energy: -38.686
flat angles C4'-P-C4' energy: -45.987
flat angles P-C4'-P energy: -35.175
tors. eta vs tors. theta energy: -64.669
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: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -693.475402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.475402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.475402 (E_RNA)
where:
Base-Base interactions energy: -471.732
where: short stacking energy: -204.467
Base-Backbone interact. energy: -2.494
local terms energy: -219.249778
where:
bonds (distance) C4'-P energy: -35.000
bonds (distance) P-C4' energy: -39.986
flat angles C4'-P-C4' energy: -56.569
flat angles P-C4'-P energy: -34.170
tors. eta vs tors. theta energy: -53.525
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: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -631.366298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.366298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.366298 (E_RNA)
where:
Base-Base interactions energy: -419.012
where: short stacking energy: -201.357
Base-Backbone interact. energy: -0.558
local terms energy: -211.796354
where:
bonds (distance) C4'-P energy: -41.213
bonds (distance) P-C4' energy: -45.883
flat angles C4'-P-C4' energy: -50.915
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: -48.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -637.724494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.724494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.724494 (E_RNA)
where:
Base-Base interactions energy: -447.683
where: short stacking energy: -180.414
Base-Backbone interact. energy: -0.162
local terms energy: -189.879532
where:
bonds (distance) C4'-P energy: -35.576
bonds (distance) P-C4' energy: -44.494
flat angles C4'-P-C4' energy: -47.237
flat angles P-C4'-P energy: -24.061
tors. eta vs tors. theta energy: -38.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -549.884444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.884444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.884444 (E_RNA)
where:
Base-Base interactions energy: -364.924
where: short stacking energy: -179.528
Base-Backbone interact. energy: -1.220
local terms energy: -183.740366
where:
bonds (distance) C4'-P energy: -33.995
bonds (distance) P-C4' energy: -41.689
flat angles C4'-P-C4' energy: -46.614
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -46.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -443.151551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.151551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.151551 (E_RNA)
where:
Base-Base interactions energy: -300.699
where: short stacking energy: -151.341
Base-Backbone interact. energy: -0.580
local terms energy: -141.871925
where:
bonds (distance) C4'-P energy: -36.045
bonds (distance) P-C4' energy: -33.443
flat angles C4'-P-C4' energy: -31.770
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -259.197409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.197409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.197409 (E_RNA)
where:
Base-Base interactions energy: -114.633
where: short stacking energy: -65.394
Base-Backbone interact. energy: -2.028
local terms energy: -142.537225
where:
bonds (distance) C4'-P energy: -45.116
bonds (distance) P-C4' energy: -41.506
flat angles C4'-P-C4' energy: -37.643
flat angles P-C4'-P energy: -17.767
tors. eta vs tors. theta energy: -0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -859.379564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.379564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.379564 (E_RNA)
where:
Base-Base interactions energy: -620.579
where: short stacking energy: -240.172
Base-Backbone interact. energy: -2.627
local terms energy: -236.173558
where:
bonds (distance) C4'-P energy: -44.801
bonds (distance) P-C4' energy: -49.103
flat angles C4'-P-C4' energy: -51.917
flat angles P-C4'-P energy: -33.626
tors. eta vs tors. theta energy: -56.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -827.578917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.578917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.578917 (E_RNA)
where:
Base-Base interactions energy: -564.381
where: short stacking energy: -262.981
Base-Backbone interact. energy: -0.180
local terms energy: -263.017683
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -48.258
flat angles C4'-P-C4' energy: -55.356
flat angles P-C4'-P energy: -37.574
tors. eta vs tors. theta energy: -80.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -770.626704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.626704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.626704 (E_RNA)
where:
Base-Base interactions energy: -510.996
where: short stacking energy: -236.367
Base-Backbone interact. energy: -0.368
local terms energy: -259.262875
where:
bonds (distance) C4'-P energy: -42.983
bonds (distance) P-C4' energy: -56.029
flat angles C4'-P-C4' energy: -50.800
flat angles P-C4'-P energy: -37.236
tors. eta vs tors. theta energy: -72.215
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: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -768.927390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.927390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.927390 (E_RNA)
where:
Base-Base interactions energy: -530.434
where: short stacking energy: -221.714
Base-Backbone interact. energy: -0.601
local terms energy: -237.892810
where:
bonds (distance) C4'-P energy: -44.521
bonds (distance) P-C4' energy: -51.002
flat angles C4'-P-C4' energy: -49.071
flat angles P-C4'-P energy: -34.952
tors. eta vs tors. theta energy: -58.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -700.427460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.427460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.427460 (E_RNA)
where:
Base-Base interactions energy: -470.899
where: short stacking energy: -208.063
Base-Backbone interact. energy: -1.136
local terms energy: -228.392613
where:
bonds (distance) C4'-P energy: -42.579
bonds (distance) P-C4' energy: -44.028
flat angles C4'-P-C4' energy: -50.374
flat angles P-C4'-P energy: -34.357
tors. eta vs tors. theta energy: -57.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -649.948666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.948666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.948666 (E_RNA)
where:
Base-Base interactions energy: -434.631
where: short stacking energy: -187.652
Base-Backbone interact. energy: -1.993
local terms energy: -213.325299
where:
bonds (distance) C4'-P energy: -40.879
bonds (distance) P-C4' energy: -43.880
flat angles C4'-P-C4' energy: -47.001
flat angles P-C4'-P energy: -35.404
tors. eta vs tors. theta energy: -46.162
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: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -636.943019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.943019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.943019 (E_RNA)
where:
Base-Base interactions energy: -426.528
where: short stacking energy: -172.478
Base-Backbone interact. energy: -2.362
local terms energy: -208.053162
where:
bonds (distance) C4'-P energy: -44.626
bonds (distance) P-C4' energy: -44.527
flat angles C4'-P-C4' energy: -47.269
flat angles P-C4'-P energy: -27.390
tors. eta vs tors. theta energy: -44.241
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: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -540.975068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.975068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.975068 (E_RNA)
where:
Base-Base interactions energy: -348.749
where: short stacking energy: -159.688
Base-Backbone interact. energy: 0.288
local terms energy: -192.514455
where:
bonds (distance) C4'-P energy: -41.699
bonds (distance) P-C4' energy: -42.857
flat angles C4'-P-C4' energy: -38.179
flat angles P-C4'-P energy: -32.765
tors. eta vs tors. theta energy: -37.015
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: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -438.605145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.605145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.605145 (E_RNA)
where:
Base-Base interactions energy: -284.261
where: short stacking energy: -146.213
Base-Backbone interact. energy: 4.209
local terms energy: -158.553607
where:
bonds (distance) C4'-P energy: -40.623
bonds (distance) P-C4' energy: -39.868
flat angles C4'-P-C4' energy: -45.280
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -19.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -231.476355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.476355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.476355 (E_RNA)
where:
Base-Base interactions energy: -92.236
where: short stacking energy: -70.706
Base-Backbone interact. energy: 1.901
local terms energy: -141.141258
where:
bonds (distance) C4'-P energy: -44.795
bonds (distance) P-C4' energy: -37.611
flat angles C4'-P-C4' energy: -43.066
flat angles P-C4'-P energy: -23.808
tors. eta vs tors. theta energy: 8.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -855.423467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.423467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.423467 (E_RNA)
where:
Base-Base interactions energy: -619.943
where: short stacking energy: -248.031
Base-Backbone interact. energy: -1.656
local terms energy: -233.824543
where:
bonds (distance) C4'-P energy: -41.323
bonds (distance) P-C4' energy: -43.099
flat angles C4'-P-C4' energy: -52.093
flat angles P-C4'-P energy: -31.154
tors. eta vs tors. theta energy: -66.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -811.446598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.446598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.446598 (E_RNA)
where:
Base-Base interactions energy: -545.258
where: short stacking energy: -263.016
Base-Backbone interact. energy: -0.533
local terms energy: -265.655064
where:
bonds (distance) C4'-P energy: -40.759
bonds (distance) P-C4' energy: -49.983
flat angles C4'-P-C4' energy: -60.742
flat angles P-C4'-P energy: -36.924
tors. eta vs tors. theta energy: -77.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -779.758835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.758835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.758835 (E_RNA)
where:
Base-Base interactions energy: -524.910
where: short stacking energy: -243.410
Base-Backbone interact. energy: -0.472
local terms energy: -254.376422
where:
bonds (distance) C4'-P energy: -41.224
bonds (distance) P-C4' energy: -47.806
flat angles C4'-P-C4' energy: -56.035
flat angles P-C4'-P energy: -33.473
tors. eta vs tors. theta energy: -75.838
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: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -768.348423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.348423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.348423 (E_RNA)
where:
Base-Base interactions energy: -535.174
where: short stacking energy: -208.037
Base-Backbone interact. energy: 0.304
local terms energy: -233.478925
where:
bonds (distance) C4'-P energy: -40.921
bonds (distance) P-C4' energy: -47.049
flat angles C4'-P-C4' energy: -51.475
flat angles P-C4'-P energy: -38.681
tors. eta vs tors. theta energy: -55.353
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: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -724.902216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.902216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.902216 (E_RNA)
where:
Base-Base interactions energy: -489.134
where: short stacking energy: -218.559
Base-Backbone interact. energy: -0.334
local terms energy: -235.434378
where:
bonds (distance) C4'-P energy: -43.787
bonds (distance) P-C4' energy: -45.529
flat angles C4'-P-C4' energy: -52.323
flat angles P-C4'-P energy: -30.280
tors. eta vs tors. theta energy: -63.515
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: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -646.363532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.363532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.363532 (E_RNA)
where:
Base-Base interactions energy: -450.642
where: short stacking energy: -174.570
Base-Backbone interact. energy: -0.125
local terms energy: -195.595832
where:
bonds (distance) C4'-P energy: -36.620
bonds (distance) P-C4' energy: -52.048
flat angles C4'-P-C4' energy: -41.057
flat angles P-C4'-P energy: -27.124
tors. eta vs tors. theta energy: -38.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -618.456329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.456329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.456329 (E_RNA)
where:
Base-Base interactions energy: -404.538
where: short stacking energy: -186.913
Base-Backbone interact. energy: -0.920
local terms energy: -212.997414
where:
bonds (distance) C4'-P energy: -43.025
bonds (distance) P-C4' energy: -49.060
flat angles C4'-P-C4' energy: -44.861
flat angles P-C4'-P energy: -34.566
tors. eta vs tors. theta energy: -41.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -488.984547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.984547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.984547 (E_RNA)
where:
Base-Base interactions energy: -323.582
where: short stacking energy: -132.958
Base-Backbone interact. energy: 0.036
local terms energy: -165.438106
where:
bonds (distance) C4'-P energy: -37.171
bonds (distance) P-C4' energy: -51.893
flat angles C4'-P-C4' energy: -41.407
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: -19.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -434.147532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.147532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.147532 (E_RNA)
where:
Base-Base interactions energy: -271.326
where: short stacking energy: -120.153
Base-Backbone interact. energy: 2.943
local terms energy: -165.764605
where:
bonds (distance) C4'-P energy: -41.319
bonds (distance) P-C4' energy: -46.427
flat angles C4'-P-C4' energy: -34.355
flat angles P-C4'-P energy: -25.747
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -245.597629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.597629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.597629 (E_RNA)
where:
Base-Base interactions energy: -113.575
where: short stacking energy: -80.917
Base-Backbone interact. energy: -0.572
local terms energy: -131.451263
where:
bonds (distance) C4'-P energy: -39.916
bonds (distance) P-C4' energy: -44.716
flat angles C4'-P-C4' energy: -30.130
flat angles P-C4'-P energy: -25.957
tors. eta vs tors. theta energy: 9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -832.873439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.873439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.873439 (E_RNA)
where:
Base-Base interactions energy: -566.784
where: short stacking energy: -259.094
Base-Backbone interact. energy: -0.032
local terms energy: -266.057176
where:
bonds (distance) C4'-P energy: -52.859
bonds (distance) P-C4' energy: -49.903
flat angles C4'-P-C4' energy: -52.999
flat angles P-C4'-P energy: -39.436
tors. eta vs tors. theta energy: -70.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -851.107651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.107651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.107651 (E_RNA)
where:
Base-Base interactions energy: -587.099
where: short stacking energy: -237.320
Base-Backbone interact. energy: -1.836
local terms energy: -262.172921
where:
bonds (distance) C4'-P energy: -55.467
bonds (distance) P-C4' energy: -53.260
flat angles C4'-P-C4' energy: -51.173
flat angles P-C4'-P energy: -42.829
tors. eta vs tors. theta energy: -59.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -771.138945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.138945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.138945 (E_RNA)
where:
Base-Base interactions energy: -512.113
where: short stacking energy: -240.127
Base-Backbone interact. energy: 1.165
local terms energy: -260.191187
where:
bonds (distance) C4'-P energy: -50.230
bonds (distance) P-C4' energy: -46.089
flat angles C4'-P-C4' energy: -51.769
flat angles P-C4'-P energy: -34.491
tors. eta vs tors. theta energy: -77.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -758.109365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.109365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.109365 (E_RNA)
where:
Base-Base interactions energy: -540.359
where: short stacking energy: -211.040
Base-Backbone interact. energy: -0.976
local terms energy: -216.774404
where:
bonds (distance) C4'-P energy: -36.232
bonds (distance) P-C4' energy: -48.617
flat angles C4'-P-C4' energy: -48.217
flat angles P-C4'-P energy: -29.300
tors. eta vs tors. theta energy: -54.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -685.327489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.327489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.327489 (E_RNA)
where:
Base-Base interactions energy: -468.605
where: short stacking energy: -194.643
Base-Backbone interact. energy: -0.630
local terms energy: -216.092071
where:
bonds (distance) C4'-P energy: -29.687
bonds (distance) P-C4' energy: -46.990
flat angles C4'-P-C4' energy: -53.546
flat angles P-C4'-P energy: -30.596
tors. eta vs tors. theta energy: -55.273
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: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -640.443470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.443470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.443470 (E_RNA)
where:
Base-Base interactions energy: -437.947
where: short stacking energy: -174.467
Base-Backbone interact. energy: -0.244
local terms energy: -202.252729
where:
bonds (distance) C4'-P energy: -37.053
bonds (distance) P-C4' energy: -46.186
flat angles C4'-P-C4' energy: -44.784
flat angles P-C4'-P energy: -31.187
tors. eta vs tors. theta energy: -43.043
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: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -598.116019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.116019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.116019 (E_RNA)
where:
Base-Base interactions energy: -414.430
where: short stacking energy: -181.132
Base-Backbone interact. energy: -1.481
local terms energy: -182.205450
where:
bonds (distance) C4'-P energy: -40.656
bonds (distance) P-C4' energy: -33.979
flat angles C4'-P-C4' energy: -46.292
flat angles P-C4'-P energy: -25.880
tors. eta vs tors. theta energy: -35.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -545.959567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.959567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.959567 (E_RNA)
where:
Base-Base interactions energy: -354.271
where: short stacking energy: -176.571
Base-Backbone interact. energy: 1.195
local terms energy: -192.883728
where:
bonds (distance) C4'-P energy: -44.176
bonds (distance) P-C4' energy: -48.637
flat angles C4'-P-C4' energy: -35.836
flat angles P-C4'-P energy: -24.410
tors. eta vs tors. theta energy: -39.825
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: 298
Temperature: 1.300000
Total energy: -447.386960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.386960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.386960 (E_RNA)
where:
Base-Base interactions energy: -274.276
where: short stacking energy: -135.758
Base-Backbone interact. energy: 0.768
local terms energy: -173.879401
where:
bonds (distance) C4'-P energy: -43.018
bonds (distance) P-C4' energy: -36.905
flat angles C4'-P-C4' energy: -48.333
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -32.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -255.221561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.221561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.221561 (E_RNA)
where:
Base-Base interactions energy: -103.678
where: short stacking energy: -64.765
Base-Backbone interact. energy: -0.296
local terms energy: -151.246919
where:
bonds (distance) C4'-P energy: -47.778
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -41.135
flat angles P-C4'-P energy: -30.610
tors. eta vs tors. theta energy: -0.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -832.928675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.928675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.928675 (E_RNA)
where:
Base-Base interactions energy: -571.198
where: short stacking energy: -259.557
Base-Backbone interact. energy: -1.187
local terms energy: -260.543488
where:
bonds (distance) C4'-P energy: -44.594
bonds (distance) P-C4' energy: -50.273
flat angles C4'-P-C4' energy: -50.489
flat angles P-C4'-P energy: -39.803
tors. eta vs tors. theta energy: -75.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -852.974452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.974452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.974452 (E_RNA)
where:
Base-Base interactions energy: -598.111
where: short stacking energy: -251.138
Base-Backbone interact. energy: -1.987
local terms energy: -252.876523
where:
bonds (distance) C4'-P energy: -48.599
bonds (distance) P-C4' energy: -49.470
flat angles C4'-P-C4' energy: -54.508
flat angles P-C4'-P energy: -37.770
tors. eta vs tors. theta energy: -62.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -777.754294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.754294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.754294 (E_RNA)
where:
Base-Base interactions energy: -517.641
where: short stacking energy: -242.561
Base-Backbone interact. energy: -0.948
local terms energy: -259.164998
where:
bonds (distance) C4'-P energy: -48.293
bonds (distance) P-C4' energy: -46.758
flat angles C4'-P-C4' energy: -57.638
flat angles P-C4'-P energy: -36.431
tors. eta vs tors. theta energy: -70.044
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: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -792.061801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.061801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.061801 (E_RNA)
where:
Base-Base interactions energy: -558.146
where: short stacking energy: -231.024
Base-Backbone interact. energy: -0.108
local terms energy: -233.807891
where:
bonds (distance) C4'-P energy: -49.928
bonds (distance) P-C4' energy: -46.531
flat angles C4'-P-C4' energy: -44.826
flat angles P-C4'-P energy: -36.241
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: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -696.058049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.058049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.058049 (E_RNA)
where:
Base-Base interactions energy: -491.128
where: short stacking energy: -206.440
Base-Backbone interact. energy: 1.329
local terms energy: -206.258382
where:
bonds (distance) C4'-P energy: -41.989
bonds (distance) P-C4' energy: -36.695
flat angles C4'-P-C4' energy: -45.803
flat angles P-C4'-P energy: -27.761
tors. eta vs tors. theta energy: -54.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -670.280510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.280510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.280510 (E_RNA)
where:
Base-Base interactions energy: -447.802
where: short stacking energy: -180.177
Base-Backbone interact. energy: 0.002
local terms energy: -222.480459
where:
bonds (distance) C4'-P energy: -44.209
bonds (distance) P-C4' energy: -49.004
flat angles C4'-P-C4' energy: -53.334
flat angles P-C4'-P energy: -27.898
tors. eta vs tors. theta energy: -48.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -640.892048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.892048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.892048 (E_RNA)
where:
Base-Base interactions energy: -431.517
where: short stacking energy: -189.966
Base-Backbone interact. energy: -0.372
local terms energy: -209.002941
where:
bonds (distance) C4'-P energy: -47.119
bonds (distance) P-C4' energy: -46.837
flat angles C4'-P-C4' energy: -39.937
flat angles P-C4'-P energy: -33.664
tors. eta vs tors. theta energy: -41.446
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: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -550.968870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.968870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.968870 (E_RNA)
where:
Base-Base interactions energy: -357.111
where: short stacking energy: -170.082
Base-Backbone interact. energy: 0.317
local terms energy: -194.174849
where:
bonds (distance) C4'-P energy: -39.285
bonds (distance) P-C4' energy: -47.653
flat angles C4'-P-C4' energy: -40.076
flat angles P-C4'-P energy: -27.534
tors. eta vs tors. theta energy: -39.628
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: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -455.977136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.977136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.977136 (E_RNA)
where:
Base-Base interactions energy: -286.778
where: short stacking energy: -131.309
Base-Backbone interact. energy: 1.314
local terms energy: -170.513412
where:
bonds (distance) C4'-P energy: -38.995
bonds (distance) P-C4' energy: -43.589
flat angles C4'-P-C4' energy: -45.482
flat angles P-C4'-P energy: -22.618
tors. eta vs tors. theta energy: -19.830
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: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -210.885954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.885954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.885954 (E_RNA)
where:
Base-Base interactions energy: -85.406
where: short stacking energy: -75.824
Base-Backbone interact. energy: -0.877
local terms energy: -124.603596
where:
bonds (distance) C4'-P energy: -34.422
bonds (distance) P-C4' energy: -36.054
flat angles C4'-P-C4' energy: -26.540
flat angles P-C4'-P energy: -30.006
tors. eta vs tors. theta energy: 2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -857.572331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.572331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.572331 (E_RNA)
where:
Base-Base interactions energy: -609.525
where: short stacking energy: -235.960
Base-Backbone interact. energy: -1.604
local terms energy: -246.442594
where:
bonds (distance) C4'-P energy: -52.975
bonds (distance) P-C4' energy: -47.033
flat angles C4'-P-C4' energy: -52.131
flat angles P-C4'-P energy: -37.151
tors. eta vs tors. theta energy: -57.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -836.064394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.064394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.064394 (E_RNA)
where:
Base-Base interactions energy: -563.345
where: short stacking energy: -266.688
Base-Backbone interact. energy: -0.818
local terms energy: -271.901334
where:
bonds (distance) C4'-P energy: -52.308
bonds (distance) P-C4' energy: -45.978
flat angles C4'-P-C4' energy: -53.340
flat angles P-C4'-P energy: -40.443
tors. eta vs tors. theta energy: -79.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -762.472617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.472617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.472617 (E_RNA)
where:
Base-Base interactions energy: -510.797
where: short stacking energy: -240.668
Base-Backbone interact. energy: -0.080
local terms energy: -251.595755
where:
bonds (distance) C4'-P energy: -44.227
bonds (distance) P-C4' energy: -49.432
flat angles C4'-P-C4' energy: -55.988
flat angles P-C4'-P energy: -32.570
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: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -743.376530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.376530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.376530 (E_RNA)
where:
Base-Base interactions energy: -525.894
where: short stacking energy: -208.263
Base-Backbone interact. energy: 0.437
local terms energy: -217.919146
where:
bonds (distance) C4'-P energy: -41.648
bonds (distance) P-C4' energy: -45.893
flat angles C4'-P-C4' energy: -45.726
flat angles P-C4'-P energy: -38.616
tors. eta vs tors. theta energy: -46.037
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: 5, replica: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -680.856825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.856825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.856825 (E_RNA)
where:
Base-Base interactions energy: -461.868
where: short stacking energy: -212.045
Base-Backbone interact. energy: -0.591
local terms energy: -218.397884
where:
bonds (distance) C4'-P energy: -49.339
bonds (distance) P-C4' energy: -39.614
flat angles C4'-P-C4' energy: -48.127
flat angles P-C4'-P energy: -27.103
tors. eta vs tors. theta energy: -54.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -656.332331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.332331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.332331 (E_RNA)
where:
Base-Base interactions energy: -434.074
where: short stacking energy: -183.513
Base-Backbone interact. energy: -1.383
local terms energy: -220.875845
where:
bonds (distance) C4'-P energy: -44.123
bonds (distance) P-C4' energy: -54.248
flat angles C4'-P-C4' energy: -51.983
flat angles P-C4'-P energy: -32.516
tors. eta vs tors. theta energy: -38.005
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: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -631.775152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.775152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.775152 (E_RNA)
where:
Base-Base interactions energy: -429.988
where: short stacking energy: -190.986
Base-Backbone interact. energy: -1.944
local terms energy: -199.842873
where:
bonds (distance) C4'-P energy: -46.304
bonds (distance) P-C4' energy: -36.498
flat angles C4'-P-C4' energy: -48.923
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: -47.128
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: 3
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -519.007492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.007492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.007492 (E_RNA)
where:
Base-Base interactions energy: -340.689
where: short stacking energy: -169.270
Base-Backbone interact. energy: -2.034
local terms energy: -176.284420
where:
bonds (distance) C4'-P energy: -41.633
bonds (distance) P-C4' energy: -30.511
flat angles C4'-P-C4' energy: -42.813
flat angles P-C4'-P energy: -28.363
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: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -460.190037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.190037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.190037 (E_RNA)
where:
Base-Base interactions energy: -304.709
where: short stacking energy: -127.465
Base-Backbone interact. energy: 3.008
local terms energy: -158.488658
where:
bonds (distance) C4'-P energy: -34.666
bonds (distance) P-C4' energy: -40.361
flat angles C4'-P-C4' energy: -42.920
flat angles P-C4'-P energy: -26.060
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -228.358245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.358245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.358245 (E_RNA)
where:
Base-Base interactions energy: -92.282
where: short stacking energy: -70.645
Base-Backbone interact. energy: -0.993
local terms energy: -135.083042
where:
bonds (distance) C4'-P energy: -41.243
bonds (distance) P-C4' energy: -37.422
flat angles C4'-P-C4' energy: -33.853
flat angles P-C4'-P energy: -24.534
tors. eta vs tors. theta energy: 1.968
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: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -861.910111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.910111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.910111 (E_RNA)
where:
Base-Base interactions energy: -611.792
where: short stacking energy: -247.187
Base-Backbone interact. energy: -1.646
local terms energy: -248.471798
where:
bonds (distance) C4'-P energy: -48.469
bonds (distance) P-C4' energy: -49.995
flat angles C4'-P-C4' energy: -50.394
flat angles P-C4'-P energy: -40.452
tors. eta vs tors. theta energy: -59.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -837.085769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.085769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.085769 (E_RNA)
where:
Base-Base interactions energy: -572.234
where: short stacking energy: -260.347
Base-Backbone interact. energy: -0.086
local terms energy: -264.766155
where:
bonds (distance) C4'-P energy: -45.439
bonds (distance) P-C4' energy: -43.796
flat angles C4'-P-C4' energy: -56.906
flat angles P-C4'-P energy: -40.775
tors. eta vs tors. theta energy: -77.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -767.751060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.751060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.751060 (E_RNA)
where:
Base-Base interactions energy: -523.630
where: short stacking energy: -224.229
Base-Backbone interact. energy: -0.395
local terms energy: -243.725530
where:
bonds (distance) C4'-P energy: -47.424
bonds (distance) P-C4' energy: -50.307
flat angles C4'-P-C4' energy: -54.394
flat angles P-C4'-P energy: -24.999
tors. eta vs tors. theta energy: -66.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -750.707690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.707690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.707690 (E_RNA)
where:
Base-Base interactions energy: -518.431
where: short stacking energy: -223.038
Base-Backbone interact. energy: -0.204
local terms energy: -232.073003
where:
bonds (distance) C4'-P energy: -39.899
bonds (distance) P-C4' energy: -50.185
flat angles C4'-P-C4' energy: -53.572
flat angles P-C4'-P energy: -39.585
tors. eta vs tors. theta energy: -48.832
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: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -649.331159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.331159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.331159 (E_RNA)
where:
Base-Base interactions energy: -427.436
where: short stacking energy: -172.141
Base-Backbone interact. energy: -0.801
local terms energy: -221.093839
where:
bonds (distance) C4'-P energy: -49.226
bonds (distance) P-C4' energy: -49.371
flat angles C4'-P-C4' energy: -48.640
flat angles P-C4'-P energy: -32.536
tors. eta vs tors. theta energy: -41.321
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: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -652.664115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.664115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.664115 (E_RNA)
where:
Base-Base interactions energy: -428.802
where: short stacking energy: -188.948
Base-Backbone interact. energy: 1.413
local terms energy: -225.275576
where:
bonds (distance) C4'-P energy: -47.532
bonds (distance) P-C4' energy: -48.396
flat angles C4'-P-C4' energy: -53.024
flat angles P-C4'-P energy: -31.963
tors. eta vs tors. theta energy: -44.360
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: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -644.921831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.921831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.921831 (E_RNA)
where:
Base-Base interactions energy: -444.462
where: short stacking energy: -199.394
Base-Backbone interact. energy: 0.209
local terms energy: -200.669571
where:
bonds (distance) C4'-P energy: -40.270
bonds (distance) P-C4' energy: -40.021
flat angles C4'-P-C4' energy: -49.184
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -50.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -509.171831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.171831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.171831 (E_RNA)
where:
Base-Base interactions energy: -321.312
where: short stacking energy: -140.106
Base-Backbone interact. energy: -1.078
local terms energy: -186.781886
where:
bonds (distance) C4'-P energy: -37.730
bonds (distance) P-C4' energy: -40.078
flat angles C4'-P-C4' energy: -41.733
flat angles P-C4'-P energy: -36.422
tors. eta vs tors. theta energy: -30.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -504.147258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.147258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.147258 (E_RNA)
where:
Base-Base interactions energy: -324.219
where: short stacking energy: -150.407
Base-Backbone interact. energy: -0.135
local terms energy: -179.793741
where:
bonds (distance) C4'-P energy: -31.940
bonds (distance) P-C4' energy: -48.877
flat angles C4'-P-C4' energy: -47.867
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -33.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -219.856524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.856524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.856524 (E_RNA)
where:
Base-Base interactions energy: -87.237
where: short stacking energy: -58.793
Base-Backbone interact. energy: 2.066
local terms energy: -134.686351
where:
bonds (distance) C4'-P energy: -41.889
bonds (distance) P-C4' energy: -45.299
flat angles C4'-P-C4' energy: -37.203
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: 4.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -867.380115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.380115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.380115 (E_RNA)
where:
Base-Base interactions energy: -606.455
where: short stacking energy: -257.324
Base-Backbone interact. energy: 0.055
local terms energy: -260.979979
where:
bonds (distance) C4'-P energy: -46.762
bonds (distance) P-C4' energy: -50.802
flat angles C4'-P-C4' energy: -51.804
flat angles P-C4'-P energy: -44.279
tors. eta vs tors. theta energy: -67.332
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: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -832.066458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.066458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.066458 (E_RNA)
where:
Base-Base interactions energy: -561.918
where: short stacking energy: -258.798
Base-Backbone interact. energy: -1.417
local terms energy: -268.731638
where:
bonds (distance) C4'-P energy: -35.681
bonds (distance) P-C4' energy: -53.081
flat angles C4'-P-C4' energy: -58.784
flat angles P-C4'-P energy: -43.421
tors. eta vs tors. theta energy: -77.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -818.707147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.707147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.707147 (E_RNA)
where:
Base-Base interactions energy: -581.233
where: short stacking energy: -228.775
Base-Backbone interact. energy: 0.751
local terms energy: -238.224692
where:
bonds (distance) C4'-P energy: -41.568
bonds (distance) P-C4' energy: -43.531
flat angles C4'-P-C4' energy: -53.480
flat angles P-C4'-P energy: -37.844
tors. eta vs tors. theta energy: -61.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -737.932006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.932006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.932006 (E_RNA)
where:
Base-Base interactions energy: -498.776
where: short stacking energy: -219.018
Base-Backbone interact. energy: -0.914
local terms energy: -238.241823
where:
bonds (distance) C4'-P energy: -43.149
bonds (distance) P-C4' energy: -38.838
flat angles C4'-P-C4' energy: -53.710
flat angles P-C4'-P energy: -41.136
tors. eta vs tors. theta energy: -61.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -700.312582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.312582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.312582 (E_RNA)
where:
Base-Base interactions energy: -469.979
where: short stacking energy: -210.312
Base-Backbone interact. energy: -0.324
local terms energy: -230.009176
where:
bonds (distance) C4'-P energy: -46.859
bonds (distance) P-C4' energy: -51.345
flat angles C4'-P-C4' energy: -51.793
flat angles P-C4'-P energy: -27.831
tors. eta vs tors. theta energy: -52.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -663.382038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.382038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.382038 (E_RNA)
where:
Base-Base interactions energy: -441.403
where: short stacking energy: -192.421
Base-Backbone interact. energy: -1.155
local terms energy: -220.824203
where:
bonds (distance) C4'-P energy: -34.805
bonds (distance) P-C4' energy: -52.804
flat angles C4'-P-C4' energy: -54.445
flat angles P-C4'-P energy: -32.888
tors. eta vs tors. theta energy: -45.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -611.612481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.612481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.612481 (E_RNA)
where:
Base-Base interactions energy: -410.735
where: short stacking energy: -171.555
Base-Backbone interact. energy: 2.100
local terms energy: -202.978149
where:
bonds (distance) C4'-P energy: -50.734
bonds (distance) P-C4' energy: -39.868
flat angles C4'-P-C4' energy: -47.402
flat angles P-C4'-P energy: -31.187
tors. eta vs tors. theta energy: -33.787
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: 8, replica: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -494.633519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.633519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.633519 (E_RNA)
where:
Base-Base interactions energy: -321.593
where: short stacking energy: -149.857
Base-Backbone interact. energy: -0.330
local terms energy: -172.711214
where:
bonds (distance) C4'-P energy: -27.024
bonds (distance) P-C4' energy: -43.175
flat angles C4'-P-C4' energy: -41.414
flat angles P-C4'-P energy: -30.684
tors. eta vs tors. theta energy: -30.415
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: 3
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -532.661904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.661904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.661904 (E_RNA)
where:
Base-Base interactions energy: -354.598
where: short stacking energy: -162.736
Base-Backbone interact. energy: 0.153
local terms energy: -178.216237
where:
bonds (distance) C4'-P energy: -34.167
bonds (distance) P-C4' energy: -36.402
flat angles C4'-P-C4' energy: -40.901
flat angles P-C4'-P energy: -24.518
tors. eta vs tors. theta energy: -42.229
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: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -230.704396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.704396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.704396 (E_RNA)
where:
Base-Base interactions energy: -87.491
where: short stacking energy: -66.219
Base-Backbone interact. energy: -1.105
local terms energy: -142.108357
where:
bonds (distance) C4'-P energy: -38.546
bonds (distance) P-C4' energy: -47.814
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -29.370
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -858.826684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.826684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.826684 (E_RNA)
where:
Base-Base interactions energy: -602.006
where: short stacking energy: -240.425
Base-Backbone interact. energy: -3.498
local terms energy: -253.322639
where:
bonds (distance) C4'-P energy: -50.971
bonds (distance) P-C4' energy: -55.048
flat angles C4'-P-C4' energy: -49.658
flat angles P-C4'-P energy: -37.441
tors. eta vs tors. theta energy: -60.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -848.305189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.305189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.305189 (E_RNA)
where:
Base-Base interactions energy: -567.476
where: short stacking energy: -274.825
Base-Backbone interact. energy: -0.883
local terms energy: -279.946056
where:
bonds (distance) C4'-P energy: -48.865
bonds (distance) P-C4' energy: -52.424
flat angles C4'-P-C4' energy: -56.463
flat angles P-C4'-P energy: -40.179
tors. eta vs tors. theta energy: -82.014
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: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -800.009154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.009154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.009154 (E_RNA)
where:
Base-Base interactions energy: -579.228
where: short stacking energy: -238.856
Base-Backbone interact. energy: 0.215
local terms energy: -220.996304
where:
bonds (distance) C4'-P energy: -42.036
bonds (distance) P-C4' energy: -44.029
flat angles C4'-P-C4' energy: -53.773
flat angles P-C4'-P energy: -22.560
tors. eta vs tors. theta energy: -58.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -733.172717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.172717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.172717 (E_RNA)
where:
Base-Base interactions energy: -495.143
where: short stacking energy: -226.714
Base-Backbone interact. energy: -0.977
local terms energy: -237.052545
where:
bonds (distance) C4'-P energy: -50.617
bonds (distance) P-C4' energy: -44.774
flat angles C4'-P-C4' energy: -49.540
flat angles P-C4'-P energy: -33.643
tors. eta vs tors. theta energy: -58.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -684.645761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.645761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.645761 (E_RNA)
where:
Base-Base interactions energy: -471.912
where: short stacking energy: -201.625
Base-Backbone interact. energy: -1.100
local terms energy: -211.634075
where:
bonds (distance) C4'-P energy: -46.013
bonds (distance) P-C4' energy: -48.240
flat angles C4'-P-C4' energy: -40.099
flat angles P-C4'-P energy: -28.742
tors. eta vs tors. theta energy: -48.539
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: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -625.582347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.582347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.582347 (E_RNA)
where:
Base-Base interactions energy: -429.115
where: short stacking energy: -185.162
Base-Backbone interact. energy: 0.553
local terms energy: -197.021043
where:
bonds (distance) C4'-P energy: -41.963
bonds (distance) P-C4' energy: -43.743
flat angles C4'-P-C4' energy: -42.889
flat angles P-C4'-P energy: -28.195
tors. eta vs tors. theta energy: -40.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -678.550266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.550266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.550266 (E_RNA)
where:
Base-Base interactions energy: -473.190
where: short stacking energy: -191.745
Base-Backbone interact. energy: -1.271
local terms energy: -204.089348
where:
bonds (distance) C4'-P energy: -32.467
bonds (distance) P-C4' energy: -42.311
flat angles C4'-P-C4' energy: -45.997
flat angles P-C4'-P energy: -30.691
tors. eta vs tors. theta energy: -52.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -551.072292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.072292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.072292 (E_RNA)
where:
Base-Base interactions energy: -366.204
where: short stacking energy: -174.733
Base-Backbone interact. energy: -0.855
local terms energy: -184.012905
where:
bonds (distance) C4'-P energy: -44.260
bonds (distance) P-C4' energy: -40.534
flat angles C4'-P-C4' energy: -33.596
flat angles P-C4'-P energy: -34.582
tors. eta vs tors. theta energy: -31.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -469.488542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.488542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.488542 (E_RNA)
where:
Base-Base interactions energy: -304.623
where: short stacking energy: -130.552
Base-Backbone interact. energy: -1.007
local terms energy: -163.857669
where:
bonds (distance) C4'-P energy: -33.505
bonds (distance) P-C4' energy: -34.814
flat angles C4'-P-C4' energy: -45.161
flat angles P-C4'-P energy: -26.615
tors. eta vs tors. theta energy: -23.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -228.994427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.994427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.994427 (E_RNA)
where:
Base-Base interactions energy: -106.037
where: short stacking energy: -86.389
Base-Backbone interact. energy: -0.127
local terms energy: -122.831085
where:
bonds (distance) C4'-P energy: -32.501
bonds (distance) P-C4' energy: -35.199
flat angles C4'-P-C4' energy: -36.656
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -863.804685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.804685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.804685 (E_RNA)
where:
Base-Base interactions energy: -586.031
where: short stacking energy: -269.281
Base-Backbone interact. energy: 0.191
local terms energy: -277.964352
where:
bonds (distance) C4'-P energy: -49.391
bonds (distance) P-C4' energy: -54.373
flat angles C4'-P-C4' energy: -59.855
flat angles P-C4'-P energy: -37.124
tors. eta vs tors. theta energy: -77.221
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: 2, replica: 10
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -855.924415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.924415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.924415 (E_RNA)
where:
Base-Base interactions energy: -618.161
where: short stacking energy: -240.102
Base-Backbone interact. energy: 1.022
local terms energy: -238.785023
where:
bonds (distance) C4'-P energy: -53.687
bonds (distance) P-C4' energy: -42.846
flat angles C4'-P-C4' energy: -48.618
flat angles P-C4'-P energy: -37.170
tors. eta vs tors. theta energy: -56.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -787.599908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.599908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.599908 (E_RNA)
where:
Base-Base interactions energy: -544.529
where: short stacking energy: -215.750
Base-Backbone interact. energy: 0.172
local terms energy: -243.243153
where:
bonds (distance) C4'-P energy: -44.933
bonds (distance) P-C4' energy: -44.827
flat angles C4'-P-C4' energy: -54.917
flat angles P-C4'-P energy: -43.832
tors. eta vs tors. theta energy: -54.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -755.292641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.292641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.292641 (E_RNA)
where:
Base-Base interactions energy: -506.527
where: short stacking energy: -225.955
Base-Backbone interact. energy: -1.628
local terms energy: -247.137571
where:
bonds (distance) C4'-P energy: -43.702
bonds (distance) P-C4' energy: -47.350
flat angles C4'-P-C4' energy: -50.632
flat angles P-C4'-P energy: -38.494
tors. eta vs tors. theta energy: -66.959
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: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -689.473295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.473295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.473295 (E_RNA)
where:
Base-Base interactions energy: -475.948
where: short stacking energy: -194.817
Base-Backbone interact. energy: -0.986
local terms energy: -212.539657
where:
bonds (distance) C4'-P energy: -38.144
bonds (distance) P-C4' energy: -51.352
flat angles C4'-P-C4' energy: -46.533
flat angles P-C4'-P energy: -28.200
tors. eta vs tors. theta energy: -48.311
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: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -628.895343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.895343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.895343 (E_RNA)
where:
Base-Base interactions energy: -434.887
where: short stacking energy: -176.868
Base-Backbone interact. energy: -2.112
local terms energy: -191.895843
where:
bonds (distance) C4'-P energy: -48.227
bonds (distance) P-C4' energy: -41.291
flat angles C4'-P-C4' energy: -49.118
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -34.555
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: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -665.285504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.285504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.285504 (E_RNA)
where:
Base-Base interactions energy: -466.773
where: short stacking energy: -202.447
Base-Backbone interact. energy: -0.741
local terms energy: -197.771209
where:
bonds (distance) C4'-P energy: -37.845
bonds (distance) P-C4' energy: -27.614
flat angles C4'-P-C4' energy: -46.605
flat angles P-C4'-P energy: -39.829
tors. eta vs tors. theta energy: -45.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -506.064342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.064342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.064342 (E_RNA)
where:
Base-Base interactions energy: -321.543
where: short stacking energy: -152.423
Base-Backbone interact. energy: 1.153
local terms energy: -185.674369
where:
bonds (distance) C4'-P energy: -45.403
bonds (distance) P-C4' energy: -29.861
flat angles C4'-P-C4' energy: -42.662
flat angles P-C4'-P energy: -24.644
tors. eta vs tors. theta energy: -43.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -484.468909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.468909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.468909 (E_RNA)
where:
Base-Base interactions energy: -323.645
where: short stacking energy: -148.365
Base-Backbone interact. energy: 0.025
local terms energy: -160.849289
where:
bonds (distance) C4'-P energy: -36.588
bonds (distance) P-C4' energy: -39.514
flat angles C4'-P-C4' energy: -41.762
flat angles P-C4'-P energy: -19.538
tors. eta vs tors. theta energy: -23.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -234.696561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.696561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.696561 (E_RNA)
where:
Base-Base interactions energy: -93.406
where: short stacking energy: -75.199
Base-Backbone interact. energy: -0.544
local terms energy: -140.746913
where:
bonds (distance) C4'-P energy: -32.817
bonds (distance) P-C4' energy: -46.245
flat angles C4'-P-C4' energy: -29.064
flat angles P-C4'-P energy: -23.985
tors. eta vs tors. theta energy: -8.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -846.713572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.713572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.713572 (E_RNA)
where:
Base-Base interactions energy: -573.171
where: short stacking energy: -258.287
Base-Backbone interact. energy: -0.228
local terms energy: -273.314617
where:
bonds (distance) C4'-P energy: -43.902
bonds (distance) P-C4' energy: -48.152
flat angles C4'-P-C4' energy: -56.606
flat angles P-C4'-P energy: -42.793
tors. eta vs tors. theta energy: -81.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -851.752087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.752087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.752087 (E_RNA)
where:
Base-Base interactions energy: -614.470
where: short stacking energy: -234.232
Base-Backbone interact. energy: 6.364
local terms energy: -243.646124
where:
bonds (distance) C4'-P energy: -43.561
bonds (distance) P-C4' energy: -48.735
flat angles C4'-P-C4' energy: -52.649
flat angles P-C4'-P energy: -36.670
tors. eta vs tors. theta energy: -62.031
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: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -790.766434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.766434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.766434 (E_RNA)
where:
Base-Base interactions energy: -553.582
where: short stacking energy: -226.412
Base-Backbone interact. energy: 2.535
local terms energy: -239.719974
where:
bonds (distance) C4'-P energy: -47.036
bonds (distance) P-C4' energy: -48.003
flat angles C4'-P-C4' energy: -46.295
flat angles P-C4'-P energy: -41.422
tors. eta vs tors. theta energy: -56.964
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: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -722.234620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.234620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.234620 (E_RNA)
where:
Base-Base interactions energy: -501.073
where: short stacking energy: -188.502
Base-Backbone interact. energy: -1.311
local terms energy: -219.851041
where:
bonds (distance) C4'-P energy: -49.511
bonds (distance) P-C4' energy: -48.215
flat angles C4'-P-C4' energy: -43.669
flat angles P-C4'-P energy: -34.115
tors. eta vs tors. theta energy: -44.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -757.995583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.995583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.995583 (E_RNA)
where:
Base-Base interactions energy: -537.545
where: short stacking energy: -241.031
Base-Backbone interact. energy: 1.773
local terms energy: -222.223602
where:
bonds (distance) C4'-P energy: -44.906
bonds (distance) P-C4' energy: -33.112
flat angles C4'-P-C4' energy: -50.269
flat angles P-C4'-P energy: -29.604
tors. eta vs tors. theta energy: -64.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -716.192913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.192913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.192913 (E_RNA)
where:
Base-Base interactions energy: -488.210
where: short stacking energy: -198.943
Base-Backbone interact. energy: -0.224
local terms energy: -227.759566
where:
bonds (distance) C4'-P energy: -48.729
bonds (distance) P-C4' energy: -40.899
flat angles C4'-P-C4' energy: -49.538
flat angles P-C4'-P energy: -30.355
tors. eta vs tors. theta energy: -58.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -634.732415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.732415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.732415 (E_RNA)
where:
Base-Base interactions energy: -422.725
where: short stacking energy: -199.168
Base-Backbone interact. energy: -0.389
local terms energy: -211.618510
where:
bonds (distance) C4'-P energy: -32.264
bonds (distance) P-C4' energy: -50.534
flat angles C4'-P-C4' energy: -46.836
flat angles P-C4'-P energy: -34.940
tors. eta vs tors. theta energy: -47.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -567.411149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.411149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.411149 (E_RNA)
where:
Base-Base interactions energy: -378.110
where: short stacking energy: -174.799
Base-Backbone interact. energy: -0.696
local terms energy: -188.605877
where:
bonds (distance) C4'-P energy: -31.282
bonds (distance) P-C4' energy: -44.107
flat angles C4'-P-C4' energy: -39.043
flat angles P-C4'-P energy: -27.060
tors. eta vs tors. theta energy: -47.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -504.885805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.885805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.885805 (E_RNA)
where:
Base-Base interactions energy: -323.521
where: short stacking energy: -153.676
Base-Backbone interact. energy: -0.835
local terms energy: -180.530093
where:
bonds (distance) C4'-P energy: -43.360
bonds (distance) P-C4' energy: -38.374
flat angles C4'-P-C4' energy: -44.029
flat angles P-C4'-P energy: -24.632
tors. eta vs tors. theta energy: -30.136
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: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -214.276436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.276436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.276436 (E_RNA)
where:
Base-Base interactions energy: -66.893
where: short stacking energy: -66.893
Base-Backbone interact. energy: 1.822
local terms energy: -149.205489
where:
bonds (distance) C4'-P energy: -34.437
bonds (distance) P-C4' energy: -44.790
flat angles C4'-P-C4' energy: -41.600
flat angles P-C4'-P energy: -27.608
tors. eta vs tors. theta energy: -0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -835.540066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.540066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.540066 (E_RNA)
where:
Base-Base interactions energy: -581.360
where: short stacking energy: -271.614
Base-Backbone interact. energy: -0.297
local terms energy: -253.883244
where:
bonds (distance) C4'-P energy: -40.248
bonds (distance) P-C4' energy: -45.052
flat angles C4'-P-C4' energy: -51.611
flat angles P-C4'-P energy: -37.847
tors. eta vs tors. theta energy: -79.125
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: 306
Temperature: 0.950000
Total energy: -865.913244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.913244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.913244 (E_RNA)
where:
Base-Base interactions energy: -616.000
where: short stacking energy: -244.639
Base-Backbone interact. energy: -2.542
local terms energy: -247.371817
where:
bonds (distance) C4'-P energy: -50.574
bonds (distance) P-C4' energy: -42.836
flat angles C4'-P-C4' energy: -55.459
flat angles P-C4'-P energy: -35.754
tors. eta vs tors. theta energy: -62.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -785.144813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.144813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.144813 (E_RNA)
where:
Base-Base interactions energy: -539.258
where: short stacking energy: -237.712
Base-Backbone interact. energy: 0.944
local terms energy: -246.830885
where:
bonds (distance) C4'-P energy: -43.732
bonds (distance) P-C4' energy: -46.684
flat angles C4'-P-C4' energy: -52.958
flat angles P-C4'-P energy: -33.919
tors. eta vs tors. theta energy: -69.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -704.975340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.975340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.975340 (E_RNA)
where:
Base-Base interactions energy: -488.977
where: short stacking energy: -205.280
Base-Backbone interact. energy: -0.390
local terms energy: -215.607873
where:
bonds (distance) C4'-P energy: -44.972
bonds (distance) P-C4' energy: -44.579
flat angles C4'-P-C4' energy: -39.666
flat angles P-C4'-P energy: -28.928
tors. eta vs tors. theta energy: -57.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -699.661415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.661415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.661415 (E_RNA)
where:
Base-Base interactions energy: -475.856
where: short stacking energy: -212.189
Base-Backbone interact. energy: -0.325
local terms energy: -223.480556
where:
bonds (distance) C4'-P energy: -41.117
bonds (distance) P-C4' energy: -43.572
flat angles C4'-P-C4' energy: -47.435
flat angles P-C4'-P energy: -33.432
tors. eta vs tors. theta energy: -57.925
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: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -745.646515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.646515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.646515 (E_RNA)
where:
Base-Base interactions energy: -506.174
where: short stacking energy: -219.624
Base-Backbone interact. energy: -0.227
local terms energy: -239.245916
where:
bonds (distance) C4'-P energy: -42.920
bonds (distance) P-C4' energy: -54.117
flat angles C4'-P-C4' energy: -49.470
flat angles P-C4'-P energy: -28.712
tors. eta vs tors. theta energy: -64.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -639.201795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.201795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.201795 (E_RNA)
where:
Base-Base interactions energy: -435.636
where: short stacking energy: -183.541
Base-Backbone interact. energy: -0.658
local terms energy: -202.907672
where:
bonds (distance) C4'-P energy: -34.353
bonds (distance) P-C4' energy: -49.045
flat angles C4'-P-C4' energy: -46.700
flat angles P-C4'-P energy: -27.721
tors. eta vs tors. theta energy: -45.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -639.667317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.667317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.667317 (E_RNA)
where:
Base-Base interactions energy: -431.524
where: short stacking energy: -190.907
Base-Backbone interact. energy: 0.275
local terms energy: -208.418769
where:
bonds (distance) C4'-P energy: -44.525
bonds (distance) P-C4' energy: -42.216
flat angles C4'-P-C4' energy: -48.982
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -53.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -487.982154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.982154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.982154 (E_RNA)
where:
Base-Base interactions energy: -317.565
where: short stacking energy: -159.597
Base-Backbone interact. energy: 0.956
local terms energy: -171.372742
where:
bonds (distance) C4'-P energy: -37.112
bonds (distance) P-C4' energy: -44.977
flat angles C4'-P-C4' energy: -45.649
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -36.376
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: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -222.153074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.153074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.153074 (E_RNA)
where:
Base-Base interactions energy: -100.823
where: short stacking energy: -67.395
Base-Backbone interact. energy: 1.111
local terms energy: -122.441263
where:
bonds (distance) C4'-P energy: -39.894
bonds (distance) P-C4' energy: -40.530
flat angles C4'-P-C4' energy: -33.162
flat angles P-C4'-P energy: -19.981
tors. eta vs tors. theta energy: 11.126
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: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -827.766090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.766090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.766090 (E_RNA)
where:
Base-Base interactions energy: -568.646
where: short stacking energy: -243.123
Base-Backbone interact. energy: -2.263
local terms energy: -256.856485
where:
bonds (distance) C4'-P energy: -47.468
bonds (distance) P-C4' energy: -49.157
flat angles C4'-P-C4' energy: -53.388
flat angles P-C4'-P energy: -37.170
tors. eta vs tors. theta energy: -69.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -853.612918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.612918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.612918 (E_RNA)
where:
Base-Base interactions energy: -593.191
where: short stacking energy: -234.222
Base-Backbone interact. energy: -1.509
local terms energy: -258.912505
where:
bonds (distance) C4'-P energy: -43.513
bonds (distance) P-C4' energy: -53.316
flat angles C4'-P-C4' energy: -57.573
flat angles P-C4'-P energy: -44.877
tors. eta vs tors. theta energy: -59.633
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: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -779.293141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.293141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.293141 (E_RNA)
where:
Base-Base interactions energy: -537.656
where: short stacking energy: -224.291
Base-Backbone interact. energy: -2.252
local terms energy: -239.384878
where:
bonds (distance) C4'-P energy: -39.730
bonds (distance) P-C4' energy: -50.307
flat angles C4'-P-C4' energy: -55.300
flat angles P-C4'-P energy: -37.903
tors. eta vs tors. theta energy: -56.145
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: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -718.329325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.329325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.329325 (E_RNA)
where:
Base-Base interactions energy: -486.077
where: short stacking energy: -213.101
Base-Backbone interact. energy: -0.432
local terms energy: -231.819731
where:
bonds (distance) C4'-P energy: -39.924
bonds (distance) P-C4' energy: -52.123
flat angles C4'-P-C4' energy: -42.807
flat angles P-C4'-P energy: -33.592
tors. eta vs tors. theta energy: -63.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -670.085774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.085774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.085774 (E_RNA)
where:
Base-Base interactions energy: -451.269
where: short stacking energy: -197.527
Base-Backbone interact. energy: -0.501
local terms energy: -218.316156
where:
bonds (distance) C4'-P energy: -43.270
bonds (distance) P-C4' energy: -33.057
flat angles C4'-P-C4' energy: -50.052
flat angles P-C4'-P energy: -33.975
tors. eta vs tors. theta energy: -57.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -730.872207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.872207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.872207 (E_RNA)
where:
Base-Base interactions energy: -507.943
where: short stacking energy: -234.205
Base-Backbone interact. energy: -0.793
local terms energy: -222.135642
where:
bonds (distance) C4'-P energy: -46.194
bonds (distance) P-C4' energy: -34.209
flat angles C4'-P-C4' energy: -46.923
flat angles P-C4'-P energy: -29.071
tors. eta vs tors. theta energy: -65.738
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: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -627.057179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.057179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.057179 (E_RNA)
where:
Base-Base interactions energy: -422.678
where: short stacking energy: -187.071
Base-Backbone interact. energy: -0.636
local terms energy: -203.742967
where:
bonds (distance) C4'-P energy: -41.882
bonds (distance) P-C4' energy: -49.298
flat angles C4'-P-C4' energy: -50.014
flat angles P-C4'-P energy: -21.740
tors. eta vs tors. theta energy: -40.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -634.231729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.231729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.231729 (E_RNA)
where:
Base-Base interactions energy: -426.372
where: short stacking energy: -183.877
Base-Backbone interact. energy: -1.391
local terms energy: -206.468220
where:
bonds (distance) C4'-P energy: -43.601
bonds (distance) P-C4' energy: -37.414
flat angles C4'-P-C4' energy: -44.612
flat angles P-C4'-P energy: -33.309
tors. eta vs tors. theta energy: -47.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -441.982491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.982491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.982491 (E_RNA)
where:
Base-Base interactions energy: -266.583
where: short stacking energy: -144.082
Base-Backbone interact. energy: -0.626
local terms energy: -174.773200
where:
bonds (distance) C4'-P energy: -44.438
bonds (distance) P-C4' energy: -39.701
flat angles C4'-P-C4' energy: -41.578
flat angles P-C4'-P energy: -27.419
tors. eta vs tors. theta energy: -21.638
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: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -213.635979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.635979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.635979 (E_RNA)
where:
Base-Base interactions energy: -71.374
where: short stacking energy: -64.784
Base-Backbone interact. energy: -0.413
local terms energy: -141.849305
where:
bonds (distance) C4'-P energy: -28.422
bonds (distance) P-C4' energy: -47.058
flat angles C4'-P-C4' energy: -38.273
flat angles P-C4'-P energy: -32.995
tors. eta vs tors. theta energy: 4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -852.946357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.946357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.946357 (E_RNA)
where:
Base-Base interactions energy: -601.434
where: short stacking energy: -246.622
Base-Backbone interact. energy: -2.726
local terms energy: -248.786100
where:
bonds (distance) C4'-P energy: -55.043
bonds (distance) P-C4' energy: -49.525
flat angles C4'-P-C4' energy: -52.900
flat angles P-C4'-P energy: -35.876
tors. eta vs tors. theta energy: -55.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -856.099579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.099579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.099579 (E_RNA)
where:
Base-Base interactions energy: -585.747
where: short stacking energy: -263.375
Base-Backbone interact. energy: -1.099
local terms energy: -269.253152
where:
bonds (distance) C4'-P energy: -47.258
bonds (distance) P-C4' energy: -57.365
flat angles C4'-P-C4' energy: -53.914
flat angles P-C4'-P energy: -32.361
tors. eta vs tors. theta energy: -78.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -781.277483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.277483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.277483 (E_RNA)
where:
Base-Base interactions energy: -532.835
where: short stacking energy: -229.767
Base-Backbone interact. energy: 0.218
local terms energy: -248.660802
where:
bonds (distance) C4'-P energy: -51.401
bonds (distance) P-C4' energy: -44.747
flat angles C4'-P-C4' energy: -57.159
flat angles P-C4'-P energy: -31.776
tors. eta vs tors. theta energy: -63.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -750.921855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.921855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.921855 (E_RNA)
where:
Base-Base interactions energy: -509.223
where: short stacking energy: -204.845
Base-Backbone interact. energy: -1.135
local terms energy: -240.564561
where:
bonds (distance) C4'-P energy: -53.094
bonds (distance) P-C4' energy: -46.499
flat angles C4'-P-C4' energy: -47.039
flat angles P-C4'-P energy: -34.328
tors. eta vs tors. theta energy: -59.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -746.544352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.544352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.544352 (E_RNA)
where:
Base-Base interactions energy: -514.717
where: short stacking energy: -218.158
Base-Backbone interact. energy: -0.377
local terms energy: -231.450225
where:
bonds (distance) C4'-P energy: -47.883
bonds (distance) P-C4' energy: -38.449
flat angles C4'-P-C4' energy: -55.839
flat angles P-C4'-P energy: -33.824
tors. eta vs tors. theta energy: -55.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -655.485420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.485420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.485420 (E_RNA)
where:
Base-Base interactions energy: -431.731
where: short stacking energy: -196.173
Base-Backbone interact. energy: 3.040
local terms energy: -226.794192
where:
bonds (distance) C4'-P energy: -44.419
bonds (distance) P-C4' energy: -41.882
flat angles C4'-P-C4' energy: -51.995
flat angles P-C4'-P energy: -33.038
tors. eta vs tors. theta energy: -55.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -620.553398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.553398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.553398 (E_RNA)
where:
Base-Base interactions energy: -415.264
where: short stacking energy: -175.934
Base-Backbone interact. energy: -1.056
local terms energy: -204.233629
where:
bonds (distance) C4'-P energy: -46.401
bonds (distance) P-C4' energy: -42.365
flat angles C4'-P-C4' energy: -55.434
flat angles P-C4'-P energy: -22.170
tors. eta vs tors. theta energy: -37.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -557.704635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.704635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.704635 (E_RNA)
where:
Base-Base interactions energy: -381.461
where: short stacking energy: -162.990
Base-Backbone interact. energy: 0.269
local terms energy: -176.512922
where:
bonds (distance) C4'-P energy: -45.276
bonds (distance) P-C4' energy: -38.554
flat angles C4'-P-C4' energy: -43.607
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: -32.339
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: 9, replica: 3
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -434.725945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.725945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.725945 (E_RNA)
where:
Base-Base interactions energy: -259.251
where: short stacking energy: -112.332
Base-Backbone interact. energy: -1.744
local terms energy: -173.730633
where:
bonds (distance) C4'-P energy: -41.820
bonds (distance) P-C4' energy: -44.423
flat angles C4'-P-C4' energy: -42.961
flat angles P-C4'-P energy: -29.692
tors. eta vs tors. theta energy: -14.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -206.962627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.962627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.962627 (E_RNA)
where:
Base-Base interactions energy: -86.832
where: short stacking energy: -75.363
Base-Backbone interact. energy: -1.476
local terms energy: -118.655009
where:
bonds (distance) C4'-P energy: -39.663
bonds (distance) P-C4' energy: -40.113
flat angles C4'-P-C4' energy: -28.369
flat angles P-C4'-P energy: -15.104
tors. eta vs tors. theta energy: 4.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -865.391726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.391726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.391726 (E_RNA)
where:
Base-Base interactions energy: -616.219
where: short stacking energy: -242.163
Base-Backbone interact. energy: 3.180
local terms energy: -252.352678
where:
bonds (distance) C4'-P energy: -46.728
bonds (distance) P-C4' energy: -49.948
flat angles C4'-P-C4' energy: -58.825
flat angles P-C4'-P energy: -30.258
tors. eta vs tors. theta energy: -66.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -836.558590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.558590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.558590 (E_RNA)
where:
Base-Base interactions energy: -581.261
where: short stacking energy: -246.034
Base-Backbone interact. energy: -1.196
local terms energy: -254.101681
where:
bonds (distance) C4'-P energy: -43.306
bonds (distance) P-C4' energy: -53.609
flat angles C4'-P-C4' energy: -50.152
flat angles P-C4'-P energy: -34.183
tors. eta vs tors. theta energy: -72.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -798.886149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.886149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.886149 (E_RNA)
where:
Base-Base interactions energy: -550.385
where: short stacking energy: -236.782
Base-Backbone interact. energy: -1.156
local terms energy: -247.345013
where:
bonds (distance) C4'-P energy: -51.198
bonds (distance) P-C4' energy: -42.667
flat angles C4'-P-C4' energy: -50.136
flat angles P-C4'-P energy: -35.459
tors. eta vs tors. theta energy: -67.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -783.080884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.080884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.080884 (E_RNA)
where:
Base-Base interactions energy: -537.386
where: short stacking energy: -244.699
Base-Backbone interact. energy: -1.403
local terms energy: -244.292669
where:
bonds (distance) C4'-P energy: -33.660
bonds (distance) P-C4' energy: -49.682
flat angles C4'-P-C4' energy: -57.828
flat angles P-C4'-P energy: -30.615
tors. eta vs tors. theta energy: -72.507
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: 309
Temperature: 1.100000
Total energy: -751.728563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.728563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.728563 (E_RNA)
where:
Base-Base interactions energy: -520.513
where: short stacking energy: -226.706
Base-Backbone interact. energy: -1.364
local terms energy: -229.851471
where:
bonds (distance) C4'-P energy: -43.048
bonds (distance) P-C4' energy: -36.708
flat angles C4'-P-C4' energy: -45.617
flat angles P-C4'-P energy: -37.702
tors. eta vs tors. theta energy: -66.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -655.921024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.921024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.921024 (E_RNA)
where:
Base-Base interactions energy: -453.116
where: short stacking energy: -198.079
Base-Backbone interact. energy: -0.535
local terms energy: -202.269876
where:
bonds (distance) C4'-P energy: -43.305
bonds (distance) P-C4' energy: -35.130
flat angles C4'-P-C4' energy: -45.726
flat angles P-C4'-P energy: -27.669
tors. eta vs tors. theta energy: -50.440
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: 309
Temperature: 1.200000
Total energy: -641.814359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.814359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.814359 (E_RNA)
where:
Base-Base interactions energy: -429.467
where: short stacking energy: -180.494
Base-Backbone interact. energy: -0.285
local terms energy: -212.062669
where:
bonds (distance) C4'-P energy: -42.831
bonds (distance) P-C4' energy: -47.594
flat angles C4'-P-C4' energy: -47.143
flat angles P-C4'-P energy: -29.803
tors. eta vs tors. theta energy: -44.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -601.351710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.351710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.351710 (E_RNA)
where:
Base-Base interactions energy: -407.932
where: short stacking energy: -171.189
Base-Backbone interact. energy: 1.762
local terms energy: -195.181606
where:
bonds (distance) C4'-P energy: -46.343
bonds (distance) P-C4' energy: -41.688
flat angles C4'-P-C4' energy: -33.107
flat angles P-C4'-P energy: -24.697
tors. eta vs tors. theta energy: -49.347
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: 3
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -459.893996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.893996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.893996 (E_RNA)
where:
Base-Base interactions energy: -280.145
where: short stacking energy: -133.646
Base-Backbone interact. energy: 4.185
local terms energy: -183.933935
where:
bonds (distance) C4'-P energy: -44.507
bonds (distance) P-C4' energy: -40.636
flat angles C4'-P-C4' energy: -42.625
flat angles P-C4'-P energy: -30.971
tors. eta vs tors. theta energy: -25.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -217.607759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.607759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.607759 (E_RNA)
where:
Base-Base interactions energy: -83.973
where: short stacking energy: -62.671
Base-Backbone interact. energy: -0.456
local terms energy: -133.178799
where:
bonds (distance) C4'-P energy: -39.715
bonds (distance) P-C4' energy: -46.425
flat angles C4'-P-C4' energy: -35.048
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: 2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -864.571954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.571954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.571954 (E_RNA)
where:
Base-Base interactions energy: -611.539
where: short stacking energy: -249.443
Base-Backbone interact. energy: 2.006
local terms energy: -255.038864
where:
bonds (distance) C4'-P energy: -48.994
bonds (distance) P-C4' energy: -53.780
flat angles C4'-P-C4' energy: -49.875
flat angles P-C4'-P energy: -40.736
tors. eta vs tors. theta energy: -61.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -838.662844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.662844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.662844 (E_RNA)
where:
Base-Base interactions energy: -570.292
where: short stacking energy: -247.987
Base-Backbone interact. energy: -0.939
local terms energy: -267.431215
where:
bonds (distance) C4'-P energy: -42.987
bonds (distance) P-C4' energy: -59.781
flat angles C4'-P-C4' energy: -60.724
flat angles P-C4'-P energy: -34.144
tors. eta vs tors. theta energy: -69.796
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: 4
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -800.493098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.493098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.493098 (E_RNA)
where:
Base-Base interactions energy: -572.656
where: short stacking energy: -235.832
Base-Backbone interact. energy: 2.774
local terms energy: -230.611052
where:
bonds (distance) C4'-P energy: -47.711
bonds (distance) P-C4' energy: -43.204
flat angles C4'-P-C4' energy: -47.592
flat angles P-C4'-P energy: -28.919
tors. eta vs tors. theta energy: -63.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -750.321984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.321984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.321984 (E_RNA)
where:
Base-Base interactions energy: -501.796
where: short stacking energy: -234.476
Base-Backbone interact. energy: -1.067
local terms energy: -247.459238
where:
bonds (distance) C4'-P energy: -53.741
bonds (distance) P-C4' energy: -42.436
flat angles C4'-P-C4' energy: -47.268
flat angles P-C4'-P energy: -39.405
tors. eta vs tors. theta energy: -64.609
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: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -762.993444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.993444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.993444 (E_RNA)
where:
Base-Base interactions energy: -523.824
where: short stacking energy: -235.047
Base-Backbone interact. energy: 0.872
local terms energy: -240.040856
where:
bonds (distance) C4'-P energy: -45.994
bonds (distance) P-C4' energy: -41.705
flat angles C4'-P-C4' energy: -48.198
flat angles P-C4'-P energy: -36.424
tors. eta vs tors. theta energy: -67.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -633.685119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.685119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.685119 (E_RNA)
where:
Base-Base interactions energy: -430.998
where: short stacking energy: -192.810
Base-Backbone interact. energy: -0.868
local terms energy: -201.818854
where:
bonds (distance) C4'-P energy: -40.471
bonds (distance) P-C4' energy: -38.953
flat angles C4'-P-C4' energy: -47.026
flat angles P-C4'-P energy: -29.362
tors. eta vs tors. theta energy: -46.007
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: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -627.246631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.246631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.246631 (E_RNA)
where:
Base-Base interactions energy: -412.817
where: short stacking energy: -176.195
Base-Backbone interact. energy: -2.345
local terms energy: -212.085143
where:
bonds (distance) C4'-P energy: -34.303
bonds (distance) P-C4' energy: -43.488
flat angles C4'-P-C4' energy: -53.035
flat angles P-C4'-P energy: -30.992
tors. eta vs tors. theta energy: -50.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -570.515283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.515283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.515283 (E_RNA)
where:
Base-Base interactions energy: -387.578
where: short stacking energy: -150.701
Base-Backbone interact. energy: -2.126
local terms energy: -180.811623
where:
bonds (distance) C4'-P energy: -48.318
bonds (distance) P-C4' energy: -24.440
flat angles C4'-P-C4' energy: -44.803
flat angles P-C4'-P energy: -29.253
tors. eta vs tors. theta energy: -33.998
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: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -471.373377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.373377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.373377 (E_RNA)
where:
Base-Base interactions energy: -294.456
where: short stacking energy: -143.054
Base-Backbone interact. energy: 2.244
local terms energy: -179.161292
where:
bonds (distance) C4'-P energy: -40.611
bonds (distance) P-C4' energy: -46.931
flat angles C4'-P-C4' energy: -39.818
flat angles P-C4'-P energy: -27.236
tors. eta vs tors. theta energy: -24.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -217.851734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.851734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.851734 (E_RNA)
where:
Base-Base interactions energy: -79.202
where: short stacking energy: -57.584
Base-Backbone interact. energy: 0.671
local terms energy: -139.321143
where:
bonds (distance) C4'-P energy: -42.247
bonds (distance) P-C4' energy: -46.811
flat angles C4'-P-C4' energy: -39.920
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: 1.970
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: 311
Temperature: 0.900000
Total energy: -869.995094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.995094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.995094 (E_RNA)
where:
Base-Base interactions energy: -619.435
where: short stacking energy: -246.439
Base-Backbone interact. energy: 0.811
local terms energy: -251.370664
where:
bonds (distance) C4'-P energy: -47.119
bonds (distance) P-C4' energy: -46.884
flat angles C4'-P-C4' energy: -58.977
flat angles P-C4'-P energy: -34.887
tors. eta vs tors. theta energy: -63.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -805.508910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.508910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.508910 (E_RNA)
where:
Base-Base interactions energy: -566.079
where: short stacking energy: -239.602
Base-Backbone interact. energy: 0.221
local terms energy: -239.650729
where:
bonds (distance) C4'-P energy: -42.134
bonds (distance) P-C4' energy: -35.001
flat angles C4'-P-C4' energy: -53.815
flat angles P-C4'-P energy: -41.488
tors. eta vs tors. theta energy: -67.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -801.552244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.552244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.552244 (E_RNA)
where:
Base-Base interactions energy: -549.313
where: short stacking energy: -235.566
Base-Backbone interact. energy: -1.266
local terms energy: -250.972507
where:
bonds (distance) C4'-P energy: -50.581
bonds (distance) P-C4' energy: -47.306
flat angles C4'-P-C4' energy: -54.781
flat angles P-C4'-P energy: -32.382
tors. eta vs tors. theta energy: -65.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -781.307289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.307289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.307289 (E_RNA)
where:
Base-Base interactions energy: -547.774
where: short stacking energy: -243.863
Base-Backbone interact. energy: 1.583
local terms energy: -235.116676
where:
bonds (distance) C4'-P energy: -44.838
bonds (distance) P-C4' energy: -43.022
flat angles C4'-P-C4' energy: -51.294
flat angles P-C4'-P energy: -32.457
tors. eta vs tors. theta energy: -63.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -726.689337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.689337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.689337 (E_RNA)
where:
Base-Base interactions energy: -497.486
where: short stacking energy: -208.323
Base-Backbone interact. energy: -1.000
local terms energy: -228.204016
where:
bonds (distance) C4'-P energy: -48.805
bonds (distance) P-C4' energy: -43.067
flat angles C4'-P-C4' energy: -52.178
flat angles P-C4'-P energy: -29.388
tors. eta vs tors. theta energy: -54.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -621.335860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.335860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.335860 (E_RNA)
where:
Base-Base interactions energy: -408.051
where: short stacking energy: -181.179
Base-Backbone interact. energy: -0.254
local terms energy: -213.030479
where:
bonds (distance) C4'-P energy: -50.670
bonds (distance) P-C4' energy: -40.897
flat angles C4'-P-C4' energy: -44.021
flat angles P-C4'-P energy: -25.613
tors. eta vs tors. theta energy: -51.828
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: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -620.697225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.697225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.697225 (E_RNA)
where:
Base-Base interactions energy: -418.936
where: short stacking energy: -179.731
Base-Backbone interact. energy: -2.012
local terms energy: -199.749511
where:
bonds (distance) C4'-P energy: -42.599
bonds (distance) P-C4' energy: -44.515
flat angles C4'-P-C4' energy: -40.540
flat angles P-C4'-P energy: -27.791
tors. eta vs tors. theta energy: -44.305
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: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -558.504557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.504557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.504557 (E_RNA)
where:
Base-Base interactions energy: -383.633
where: short stacking energy: -164.817
Base-Backbone interact. energy: 0.495
local terms energy: -175.366202
where:
bonds (distance) C4'-P energy: -31.333
bonds (distance) P-C4' energy: -38.398
flat angles C4'-P-C4' energy: -45.843
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: -38.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -487.158787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.158787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.158787 (E_RNA)
where:
Base-Base interactions energy: -306.315
where: short stacking energy: -145.641
Base-Backbone interact. energy: -0.014
local terms energy: -180.829651
where:
bonds (distance) C4'-P energy: -47.465
bonds (distance) P-C4' energy: -40.920
flat angles C4'-P-C4' energy: -38.553
flat angles P-C4'-P energy: -25.919
tors. eta vs tors. theta energy: -27.972
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: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -213.033112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.033112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.033112 (E_RNA)
where:
Base-Base interactions energy: -69.717
where: short stacking energy: -63.149
Base-Backbone interact. energy: -0.671
local terms energy: -142.644664
where:
bonds (distance) C4'-P energy: -48.693
bonds (distance) P-C4' energy: -43.254
flat angles C4'-P-C4' energy: -43.955
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: 6.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -864.034943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.034943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.034943 (E_RNA)
where:
Base-Base interactions energy: -620.437
where: short stacking energy: -251.551
Base-Backbone interact. energy: -1.300
local terms energy: -242.297566
where:
bonds (distance) C4'-P energy: -44.429
bonds (distance) P-C4' energy: -48.082
flat angles C4'-P-C4' energy: -53.394
flat angles P-C4'-P energy: -36.066
tors. eta vs tors. theta energy: -60.326
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: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -804.990443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.990443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.990443 (E_RNA)
where:
Base-Base interactions energy: -575.126
where: short stacking energy: -232.512
Base-Backbone interact. energy: 0.041
local terms energy: -229.905219
where:
bonds (distance) C4'-P energy: -42.831
bonds (distance) P-C4' energy: -44.360
flat angles C4'-P-C4' energy: -50.875
flat angles P-C4'-P energy: -31.022
tors. eta vs tors. theta energy: -60.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -802.903135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.903135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.903135 (E_RNA)
where:
Base-Base interactions energy: -546.097
where: short stacking energy: -251.761
Base-Backbone interact. energy: -0.024
local terms energy: -256.782458
where:
bonds (distance) C4'-P energy: -49.927
bonds (distance) P-C4' energy: -51.126
flat angles C4'-P-C4' energy: -54.790
flat angles P-C4'-P energy: -35.550
tors. eta vs tors. theta energy: -65.389
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: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -768.197334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.197334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.197334 (E_RNA)
where:
Base-Base interactions energy: -533.946
where: short stacking energy: -227.607
Base-Backbone interact. energy: 2.958
local terms energy: -237.209124
where:
bonds (distance) C4'-P energy: -48.374
bonds (distance) P-C4' energy: -43.372
flat angles C4'-P-C4' energy: -50.503
flat angles P-C4'-P energy: -34.006
tors. eta vs tors. theta energy: -60.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -736.299197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.299197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.299197 (E_RNA)
where:
Base-Base interactions energy: -515.574
where: short stacking energy: -231.648
Base-Backbone interact. energy: -1.371
local terms energy: -219.354611
where:
bonds (distance) C4'-P energy: -29.239
bonds (distance) P-C4' energy: -53.320
flat angles C4'-P-C4' energy: -46.870
flat angles P-C4'-P energy: -27.470
tors. eta vs tors. theta energy: -62.457
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: 6, replica: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -631.636214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.636214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.636214 (E_RNA)
where:
Base-Base interactions energy: -406.474
where: short stacking energy: -178.458
Base-Backbone interact. energy: -1.159
local terms energy: -224.003410
where:
bonds (distance) C4'-P energy: -41.503
bonds (distance) P-C4' energy: -49.055
flat angles C4'-P-C4' energy: -49.427
flat angles P-C4'-P energy: -38.211
tors. eta vs tors. theta energy: -45.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -618.471558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.471558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.471558 (E_RNA)
where:
Base-Base interactions energy: -417.168
where: short stacking energy: -188.260
Base-Backbone interact. energy: -2.938
local terms energy: -198.365514
where:
bonds (distance) C4'-P energy: -38.709
bonds (distance) P-C4' energy: -39.769
flat angles C4'-P-C4' energy: -48.550
flat angles P-C4'-P energy: -26.293
tors. eta vs tors. theta energy: -45.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -564.768540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.768540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.768540 (E_RNA)
where:
Base-Base interactions energy: -368.060
where: short stacking energy: -163.009
Base-Backbone interact. energy: -1.565
local terms energy: -195.143836
where:
bonds (distance) C4'-P energy: -37.376
bonds (distance) P-C4' energy: -48.916
flat angles C4'-P-C4' energy: -47.285
flat angles P-C4'-P energy: -25.542
tors. eta vs tors. theta energy: -36.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -508.395810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.395810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.395810 (E_RNA)
where:
Base-Base interactions energy: -309.970
where: short stacking energy: -145.104
Base-Backbone interact. energy: -1.335
local terms energy: -197.090902
where:
bonds (distance) C4'-P energy: -44.891
bonds (distance) P-C4' energy: -47.758
flat angles C4'-P-C4' energy: -48.128
flat angles P-C4'-P energy: -24.373
tors. eta vs tors. theta energy: -31.941
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: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -209.239780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.239780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.239780 (E_RNA)
where:
Base-Base interactions energy: -85.802
where: short stacking energy: -77.419
Base-Backbone interact. energy: -0.165
local terms energy: -123.273149
where:
bonds (distance) C4'-P energy: -29.309
bonds (distance) P-C4' energy: -40.192
flat angles C4'-P-C4' energy: -34.093
flat angles P-C4'-P energy: -23.184
tors. eta vs tors. theta energy: 3.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -872.338180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.338180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.338180 (E_RNA)
where:
Base-Base interactions energy: -624.868
where: short stacking energy: -250.728
Base-Backbone interact. energy: -2.326
local terms energy: -245.143679
where:
bonds (distance) C4'-P energy: -43.775
bonds (distance) P-C4' energy: -51.831
flat angles C4'-P-C4' energy: -51.610
flat angles P-C4'-P energy: -39.620
tors. eta vs tors. theta energy: -58.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -827.551824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.551824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.551824 (E_RNA)
where:
Base-Base interactions energy: -570.983
where: short stacking energy: -247.742
Base-Backbone interact. energy: -0.954
local terms energy: -255.614835
where:
bonds (distance) C4'-P energy: -46.939
bonds (distance) P-C4' energy: -50.067
flat angles C4'-P-C4' energy: -54.236
flat angles P-C4'-P energy: -37.819
tors. eta vs tors. theta energy: -66.553
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: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -783.313773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.313773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.313773 (E_RNA)
where:
Base-Base interactions energy: -536.537
where: short stacking energy: -208.150
Base-Backbone interact. energy: -0.120
local terms energy: -246.657367
where:
bonds (distance) C4'-P energy: -48.867
bonds (distance) P-C4' energy: -54.707
flat angles C4'-P-C4' energy: -48.228
flat angles P-C4'-P energy: -34.203
tors. eta vs tors. theta energy: -60.652
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: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -780.185180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.185180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.185180 (E_RNA)
where:
Base-Base interactions energy: -532.453
where: short stacking energy: -239.159
Base-Backbone interact. energy: -0.553
local terms energy: -247.179612
where:
bonds (distance) C4'-P energy: -42.182
bonds (distance) P-C4' energy: -52.266
flat angles C4'-P-C4' energy: -48.511
flat angles P-C4'-P energy: -30.859
tors. eta vs tors. theta energy: -73.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -730.897944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.897944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.897944 (E_RNA)
where:
Base-Base interactions energy: -513.195
where: short stacking energy: -220.671
Base-Backbone interact. energy: -0.677
local terms energy: -217.025709
where:
bonds (distance) C4'-P energy: -45.737
bonds (distance) P-C4' energy: -36.101
flat angles C4'-P-C4' energy: -47.043
flat angles P-C4'-P energy: -33.340
tors. eta vs tors. theta energy: -54.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -691.078099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.078099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.078099 (E_RNA)
where:
Base-Base interactions energy: -468.637
where: short stacking energy: -202.428
Base-Backbone interact. energy: -1.756
local terms energy: -220.685148
where:
bonds (distance) C4'-P energy: -32.343
bonds (distance) P-C4' energy: -49.105
flat angles C4'-P-C4' energy: -49.506
flat angles P-C4'-P energy: -33.853
tors. eta vs tors. theta energy: -55.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -668.442797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.442797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.442797 (E_RNA)
where:
Base-Base interactions energy: -442.156
where: short stacking energy: -181.512
Base-Backbone interact. energy: -1.714
local terms energy: -224.573182
where:
bonds (distance) C4'-P energy: -50.546
bonds (distance) P-C4' energy: -52.548
flat angles C4'-P-C4' energy: -46.049
flat angles P-C4'-P energy: -24.484
tors. eta vs tors. theta energy: -50.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -531.204368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.204368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.204368 (E_RNA)
where:
Base-Base interactions energy: -352.388
where: short stacking energy: -143.009
Base-Backbone interact. energy: -0.060
local terms energy: -178.756406
where:
bonds (distance) C4'-P energy: -38.037
bonds (distance) P-C4' energy: -34.562
flat angles C4'-P-C4' energy: -50.848
flat angles P-C4'-P energy: -28.036
tors. eta vs tors. theta energy: -27.273
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: 3
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -540.043097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.043097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.043097 (E_RNA)
where:
Base-Base interactions energy: -357.366
where: short stacking energy: -168.516
Base-Backbone interact. energy: -2.664
local terms energy: -180.013179
where:
bonds (distance) C4'-P energy: -27.797
bonds (distance) P-C4' energy: -36.145
flat angles C4'-P-C4' energy: -44.732
flat angles P-C4'-P energy: -25.859
tors. eta vs tors. theta energy: -45.480
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: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -204.202733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.202733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.202733 (E_RNA)
where:
Base-Base interactions energy: -70.193
where: short stacking energy: -67.736
Base-Backbone interact. energy: 0.283
local terms energy: -134.292056
where:
bonds (distance) C4'-P energy: -37.316
bonds (distance) P-C4' energy: -44.414
flat angles C4'-P-C4' energy: -39.476
flat angles P-C4'-P energy: -20.411
tors. eta vs tors. theta energy: 7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -843.919045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.919045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.919045 (E_RNA)
where:
Base-Base interactions energy: -586.224
where: short stacking energy: -249.874
Base-Backbone interact. energy: -0.466
local terms energy: -257.228302
where:
bonds (distance) C4'-P energy: -46.202
bonds (distance) P-C4' energy: -51.539
flat angles C4'-P-C4' energy: -59.012
flat angles P-C4'-P energy: -36.671
tors. eta vs tors. theta energy: -63.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -855.050320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.050320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.050320 (E_RNA)
where:
Base-Base interactions energy: -600.188
where: short stacking energy: -237.806
Base-Backbone interact. energy: 0.076
local terms energy: -254.937802
where:
bonds (distance) C4'-P energy: -42.256
bonds (distance) P-C4' energy: -55.294
flat angles C4'-P-C4' energy: -56.802
flat angles P-C4'-P energy: -38.294
tors. eta vs tors. theta energy: -62.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -810.183205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.183205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.183205 (E_RNA)
where:
Base-Base interactions energy: -568.965
where: short stacking energy: -242.880
Base-Backbone interact. energy: -1.978
local terms energy: -239.239816
where:
bonds (distance) C4'-P energy: -43.761
bonds (distance) P-C4' energy: -47.694
flat angles C4'-P-C4' energy: -52.202
flat angles P-C4'-P energy: -37.661
tors. eta vs tors. theta energy: -57.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -775.060805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.060805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.060805 (E_RNA)
where:
Base-Base interactions energy: -519.987
where: short stacking energy: -225.769
Base-Backbone interact. energy: -1.100
local terms energy: -253.973447
where:
bonds (distance) C4'-P energy: -48.228
bonds (distance) P-C4' energy: -54.141
flat angles C4'-P-C4' energy: -50.649
flat angles P-C4'-P energy: -32.090
tors. eta vs tors. theta energy: -68.865
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: 8
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -705.591870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.591870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.591870 (E_RNA)
where:
Base-Base interactions energy: -480.666
where: short stacking energy: -200.303
Base-Backbone interact. energy: -1.852
local terms energy: -223.074273
where:
bonds (distance) C4'-P energy: -44.238
bonds (distance) P-C4' energy: -37.218
flat angles C4'-P-C4' energy: -51.263
flat angles P-C4'-P energy: -35.660
tors. eta vs tors. theta energy: -54.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -683.806412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.806412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.806412 (E_RNA)
where:
Base-Base interactions energy: -448.415
where: short stacking energy: -196.989
Base-Backbone interact. energy: -0.067
local terms energy: -235.324554
where:
bonds (distance) C4'-P energy: -45.671
bonds (distance) P-C4' energy: -38.582
flat angles C4'-P-C4' energy: -51.884
flat angles P-C4'-P energy: -36.610
tors. eta vs tors. theta energy: -62.578
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: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -621.146636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.146636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.146636 (E_RNA)
where:
Base-Base interactions energy: -418.445
where: short stacking energy: -186.147
Base-Backbone interact. energy: -1.456
local terms energy: -201.245580
where:
bonds (distance) C4'-P energy: -27.000
bonds (distance) P-C4' energy: -46.643
flat angles C4'-P-C4' energy: -51.017
flat angles P-C4'-P energy: -21.972
tors. eta vs tors. theta energy: -54.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -519.038918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.038918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.038918 (E_RNA)
where:
Base-Base interactions energy: -337.542
where: short stacking energy: -135.760
Base-Backbone interact. energy: -1.585
local terms energy: -179.911889
where:
bonds (distance) C4'-P energy: -38.331
bonds (distance) P-C4' energy: -47.373
flat angles C4'-P-C4' energy: -40.931
flat angles P-C4'-P energy: -31.339
tors. eta vs tors. theta energy: -21.938
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: 3
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -523.738490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.738490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.738490 (E_RNA)
where:
Base-Base interactions energy: -341.818
where: short stacking energy: -158.991
Base-Backbone interact. energy: -1.123
local terms energy: -180.797578
where:
bonds (distance) C4'-P energy: -45.207
bonds (distance) P-C4' energy: -36.243
flat angles C4'-P-C4' energy: -43.394
flat angles P-C4'-P energy: -24.311
tors. eta vs tors. theta energy: -31.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -222.557663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.557663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.557663 (E_RNA)
where:
Base-Base interactions energy: -71.570
where: short stacking energy: -66.571
Base-Backbone interact. energy: 1.972
local terms energy: -152.959049
where:
bonds (distance) C4'-P energy: -46.899
bonds (distance) P-C4' energy: -44.641
flat angles C4'-P-C4' energy: -28.107
flat angles P-C4'-P energy: -27.637
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -842.066263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.066263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.066263 (E_RNA)
where:
Base-Base interactions energy: -578.015
where: short stacking energy: -253.523
Base-Backbone interact. energy: -1.670
local terms energy: -262.380851
where:
bonds (distance) C4'-P energy: -46.096
bonds (distance) P-C4' energy: -49.491
flat angles C4'-P-C4' energy: -53.773
flat angles P-C4'-P energy: -44.172
tors. eta vs tors. theta energy: -68.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -828.351998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.351998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.351998 (E_RNA)
where:
Base-Base interactions energy: -581.773
where: short stacking energy: -236.014
Base-Backbone interact. energy: -0.388
local terms energy: -246.190899
where:
bonds (distance) C4'-P energy: -45.534
bonds (distance) P-C4' energy: -51.767
flat angles C4'-P-C4' energy: -54.231
flat angles P-C4'-P energy: -39.915
tors. eta vs tors. theta energy: -54.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -785.209965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.209965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.209965 (E_RNA)
where:
Base-Base interactions energy: -531.907
where: short stacking energy: -224.104
Base-Backbone interact. energy: 0.161
local terms energy: -253.463517
where:
bonds (distance) C4'-P energy: -54.287
bonds (distance) P-C4' energy: -56.308
flat angles C4'-P-C4' energy: -53.181
flat angles P-C4'-P energy: -35.016
tors. eta vs tors. theta energy: -54.671
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: 8
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -756.676772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.676772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.676772 (E_RNA)
where:
Base-Base interactions energy: -522.834
where: short stacking energy: -219.228
Base-Backbone interact. energy: -1.230
local terms energy: -232.612666
where:
bonds (distance) C4'-P energy: -39.165
bonds (distance) P-C4' energy: -45.246
flat angles C4'-P-C4' energy: -51.997
flat angles P-C4'-P energy: -29.059
tors. eta vs tors. theta energy: -67.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -750.149609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.149609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.149609 (E_RNA)
where:
Base-Base interactions energy: -509.940
where: short stacking energy: -226.699
Base-Backbone interact. energy: -0.636
local terms energy: -239.573447
where:
bonds (distance) C4'-P energy: -47.980
bonds (distance) P-C4' energy: -41.082
flat angles C4'-P-C4' energy: -52.401
flat angles P-C4'-P energy: -30.875
tors. eta vs tors. theta energy: -67.236
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: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -702.993293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.993293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.993293 (E_RNA)
where:
Base-Base interactions energy: -468.512
where: short stacking energy: -220.536
Base-Backbone interact. energy: -1.223
local terms energy: -233.257660
where:
bonds (distance) C4'-P energy: -44.147
bonds (distance) P-C4' energy: -41.935
flat angles C4'-P-C4' energy: -54.659
flat angles P-C4'-P energy: -33.064
tors. eta vs tors. theta energy: -59.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -638.525420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.525420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.525420 (E_RNA)
where:
Base-Base interactions energy: -429.255
where: short stacking energy: -178.520
Base-Backbone interact. energy: -1.621
local terms energy: -207.648961
where:
bonds (distance) C4'-P energy: -46.642
bonds (distance) P-C4' energy: -43.243
flat angles C4'-P-C4' energy: -46.924
flat angles P-C4'-P energy: -25.379
tors. eta vs tors. theta energy: -45.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -568.845608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.845608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.845608 (E_RNA)
where:
Base-Base interactions energy: -375.752
where: short stacking energy: -161.930
Base-Backbone interact. energy: -0.533
local terms energy: -192.560733
where:
bonds (distance) C4'-P energy: -41.236
bonds (distance) P-C4' energy: -40.752
flat angles C4'-P-C4' energy: -43.045
flat angles P-C4'-P energy: -32.464
tors. eta vs tors. theta energy: -35.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -511.885083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.885083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.885083 (E_RNA)
where:
Base-Base interactions energy: -361.224
where: short stacking energy: -166.713
Base-Backbone interact. energy: -0.046
local terms energy: -150.614400
where:
bonds (distance) C4'-P energy: -32.231
bonds (distance) P-C4' energy: -34.327
flat angles C4'-P-C4' energy: -37.886
flat angles P-C4'-P energy: -21.900
tors. eta vs tors. theta energy: -24.270
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: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -234.190755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.190755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.190755 (E_RNA)
where:
Base-Base interactions energy: -89.467
where: short stacking energy: -73.520
Base-Backbone interact. energy: -1.390
local terms energy: -143.333386
where:
bonds (distance) C4'-P energy: -36.679
bonds (distance) P-C4' energy: -36.705
flat angles C4'-P-C4' energy: -36.069
flat angles P-C4'-P energy: -28.400
tors. eta vs tors. theta energy: -5.480
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: 1, replica: 10
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -871.418796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.418796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.418796 (E_RNA)
where:
Base-Base interactions energy: -620.833
where: short stacking energy: -240.796
Base-Backbone interact. energy: -2.371
local terms energy: -248.214679
where:
bonds (distance) C4'-P energy: -49.628
bonds (distance) P-C4' energy: -52.183
flat angles C4'-P-C4' energy: -53.611
flat angles P-C4'-P energy: -35.299
tors. eta vs tors. theta energy: -57.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -835.880734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.880734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.880734 (E_RNA)
where:
Base-Base interactions energy: -570.353
where: short stacking energy: -243.083
Base-Backbone interact. energy: -1.884
local terms energy: -263.643743
where:
bonds (distance) C4'-P energy: -45.519
bonds (distance) P-C4' energy: -50.556
flat angles C4'-P-C4' energy: -54.155
flat angles P-C4'-P energy: -43.538
tors. eta vs tors. theta energy: -69.876
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: 3, replica: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -793.128438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.128438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.128438 (E_RNA)
where:
Base-Base interactions energy: -558.033
where: short stacking energy: -228.568
Base-Backbone interact. energy: -0.350
local terms energy: -234.745614
where:
bonds (distance) C4'-P energy: -37.181
bonds (distance) P-C4' energy: -45.669
flat angles C4'-P-C4' energy: -50.050
flat angles P-C4'-P energy: -40.282
tors. eta vs tors. theta energy: -61.564
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: 8
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -730.245879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.245879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.245879 (E_RNA)
where:
Base-Base interactions energy: -513.303
where: short stacking energy: -225.882
Base-Backbone interact. energy: -0.918
local terms energy: -216.025011
where:
bonds (distance) C4'-P energy: -39.357
bonds (distance) P-C4' energy: -45.395
flat angles C4'-P-C4' energy: -42.035
flat angles P-C4'-P energy: -31.085
tors. eta vs tors. theta energy: -58.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -733.611558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.611558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.611558 (E_RNA)
where:
Base-Base interactions energy: -498.134
where: short stacking energy: -218.854
Base-Backbone interact. energy: 0.263
local terms energy: -235.740379
where:
bonds (distance) C4'-P energy: -39.170
bonds (distance) P-C4' energy: -43.246
flat angles C4'-P-C4' energy: -55.612
flat angles P-C4'-P energy: -34.834
tors. eta vs tors. theta energy: -62.878
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: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -675.263264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.263264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.263264 (E_RNA)
where:
Base-Base interactions energy: -465.874
where: short stacking energy: -193.728
Base-Backbone interact. energy: 0.222
local terms energy: -209.611904
where:
bonds (distance) C4'-P energy: -36.954
bonds (distance) P-C4' energy: -42.609
flat angles C4'-P-C4' energy: -49.992
flat angles P-C4'-P energy: -30.967
tors. eta vs tors. theta energy: -49.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -650.731483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.731483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.731483 (E_RNA)
where:
Base-Base interactions energy: -451.090
where: short stacking energy: -195.804
Base-Backbone interact. energy: -1.517
local terms energy: -198.124489
where:
bonds (distance) C4'-P energy: -37.463
bonds (distance) P-C4' energy: -42.396
flat angles C4'-P-C4' energy: -44.735
flat angles P-C4'-P energy: -28.143
tors. eta vs tors. theta energy: -45.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -541.571940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.571940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.571940 (E_RNA)
where:
Base-Base interactions energy: -353.687
where: short stacking energy: -166.698
Base-Backbone interact. energy: -1.176
local terms energy: -186.709389
where:
bonds (distance) C4'-P energy: -36.814
bonds (distance) P-C4' energy: -45.428
flat angles C4'-P-C4' energy: -39.864
flat angles P-C4'-P energy: -26.573
tors. eta vs tors. theta energy: -38.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -479.020487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.020487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.020487 (E_RNA)
where:
Base-Base interactions energy: -303.875
where: short stacking energy: -134.507
Base-Backbone interact. energy: 0.997
local terms energy: -176.142785
where:
bonds (distance) C4'-P energy: -41.665
bonds (distance) P-C4' energy: -46.416
flat angles C4'-P-C4' energy: -39.632
flat angles P-C4'-P energy: -29.945
tors. eta vs tors. theta energy: -18.485
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: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -209.601420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.601420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.601420 (E_RNA)
where:
Base-Base interactions energy: -52.976
where: short stacking energy: -50.475
Base-Backbone interact. energy: -0.467
local terms energy: -156.158353
where:
bonds (distance) C4'-P energy: -40.846
bonds (distance) P-C4' energy: -48.997
flat angles C4'-P-C4' energy: -38.505
flat angles P-C4'-P energy: -28.339
tors. eta vs tors. theta energy: 0.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -870.914278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.914278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.914278 (E_RNA)
where:
Base-Base interactions energy: -623.626
where: short stacking energy: -245.429
Base-Backbone interact. energy: -1.157
local terms energy: -246.130849
where:
bonds (distance) C4'-P energy: -44.805
bonds (distance) P-C4' energy: -53.896
flat angles C4'-P-C4' energy: -53.985
flat angles P-C4'-P energy: -35.316
tors. eta vs tors. theta energy: -58.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -817.241122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.241122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.241122 (E_RNA)
where:
Base-Base interactions energy: -575.675
where: short stacking energy: -250.942
Base-Backbone interact. energy: -1.222
local terms energy: -240.343783
where:
bonds (distance) C4'-P energy: -43.040
bonds (distance) P-C4' energy: -51.437
flat angles C4'-P-C4' energy: -43.575
flat angles P-C4'-P energy: -35.685
tors. eta vs tors. theta energy: -66.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -784.202757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.202757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.202757 (E_RNA)
where:
Base-Base interactions energy: -542.667
where: short stacking energy: -212.820
Base-Backbone interact. energy: 0.351
local terms energy: -241.887023
where:
bonds (distance) C4'-P energy: -46.193
bonds (distance) P-C4' energy: -48.407
flat angles C4'-P-C4' energy: -49.542
flat angles P-C4'-P energy: -43.110
tors. eta vs tors. theta energy: -54.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -730.250241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.250241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.250241 (E_RNA)
where:
Base-Base interactions energy: -489.351
where: short stacking energy: -206.077
Base-Backbone interact. energy: -2.429
local terms energy: -238.470179
where:
bonds (distance) C4'-P energy: -41.835
bonds (distance) P-C4' energy: -42.610
flat angles C4'-P-C4' energy: -56.191
flat angles P-C4'-P energy: -36.410
tors. eta vs tors. theta energy: -61.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -731.932218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.932218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.932218 (E_RNA)
where:
Base-Base interactions energy: -498.776
where: short stacking energy: -236.580
Base-Backbone interact. energy: -0.163
local terms energy: -232.994115
where:
bonds (distance) C4'-P energy: -45.348
bonds (distance) P-C4' energy: -29.517
flat angles C4'-P-C4' energy: -59.333
flat angles P-C4'-P energy: -33.318
tors. eta vs tors. theta energy: -65.479
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: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -655.117778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.117778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.117778 (E_RNA)
where:
Base-Base interactions energy: -437.469
where: short stacking energy: -189.237
Base-Backbone interact. energy: 0.509
local terms energy: -218.157521
where:
bonds (distance) C4'-P energy: -48.486
bonds (distance) P-C4' energy: -39.455
flat angles C4'-P-C4' energy: -48.535
flat angles P-C4'-P energy: -28.883
tors. eta vs tors. theta energy: -52.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -664.253353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.253353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.253353 (E_RNA)
where:
Base-Base interactions energy: -464.859
where: short stacking energy: -184.214
Base-Backbone interact. energy: 0.451
local terms energy: -199.844729
where:
bonds (distance) C4'-P energy: -41.252
bonds (distance) P-C4' energy: -46.538
flat angles C4'-P-C4' energy: -39.681
flat angles P-C4'-P energy: -27.295
tors. eta vs tors. theta energy: -45.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -566.884884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.884884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.884884 (E_RNA)
where:
Base-Base interactions energy: -385.694
where: short stacking energy: -173.209
Base-Backbone interact. energy: -0.723
local terms energy: -180.467273
where:
bonds (distance) C4'-P energy: -37.975
bonds (distance) P-C4' energy: -39.725
flat angles C4'-P-C4' energy: -47.019
flat angles P-C4'-P energy: -22.604
tors. eta vs tors. theta energy: -33.144
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: 317
Temperature: 1.300000
Total energy: -496.744753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.744753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.744753 (E_RNA)
where:
Base-Base interactions energy: -325.328
where: short stacking energy: -135.475
Base-Backbone interact. energy: -0.150
local terms energy: -171.266507
where:
bonds (distance) C4'-P energy: -36.315
bonds (distance) P-C4' energy: -38.894
flat angles C4'-P-C4' energy: -39.383
flat angles P-C4'-P energy: -39.087
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -217.311541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.311541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.311541 (E_RNA)
where:
Base-Base interactions energy: -76.675
where: short stacking energy: -71.732
Base-Backbone interact. energy: -0.739
local terms energy: -139.897212
where:
bonds (distance) C4'-P energy: -38.371
bonds (distance) P-C4' energy: -52.384
flat angles C4'-P-C4' energy: -26.739
flat angles P-C4'-P energy: -27.960
tors. eta vs tors. theta energy: 5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -874.411668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.411668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.411668 (E_RNA)
where:
Base-Base interactions energy: -637.848
where: short stacking energy: -251.415
Base-Backbone interact. energy: 1.838
local terms energy: -238.402051
where:
bonds (distance) C4'-P energy: -45.229
bonds (distance) P-C4' energy: -39.875
flat angles C4'-P-C4' energy: -55.001
flat angles P-C4'-P energy: -35.883
tors. eta vs tors. theta energy: -62.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -796.737679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.737679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.737679 (E_RNA)
where:
Base-Base interactions energy: -548.096
where: short stacking energy: -227.443
Base-Backbone interact. energy: -1.717
local terms energy: -246.924092
where:
bonds (distance) C4'-P energy: -48.126
bonds (distance) P-C4' energy: -46.312
flat angles C4'-P-C4' energy: -51.323
flat angles P-C4'-P energy: -37.398
tors. eta vs tors. theta energy: -63.766
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: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -785.650509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.650509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.650509 (E_RNA)
where:
Base-Base interactions energy: -557.483
where: short stacking energy: -223.119
Base-Backbone interact. energy: -0.579
local terms energy: -227.587656
where:
bonds (distance) C4'-P energy: -37.624
bonds (distance) P-C4' energy: -48.562
flat angles C4'-P-C4' energy: -44.622
flat angles P-C4'-P energy: -35.546
tors. eta vs tors. theta energy: -61.234
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: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -773.633983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.633983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.633983 (E_RNA)
where:
Base-Base interactions energy: -528.632
where: short stacking energy: -225.325
Base-Backbone interact. energy: -0.657
local terms energy: -244.344844
where:
bonds (distance) C4'-P energy: -48.485
bonds (distance) P-C4' energy: -46.733
flat angles C4'-P-C4' energy: -53.577
flat angles P-C4'-P energy: -32.150
tors. eta vs tors. theta energy: -63.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -742.710353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.710353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.710353 (E_RNA)
where:
Base-Base interactions energy: -523.750
where: short stacking energy: -228.915
Base-Backbone interact. energy: -0.707
local terms energy: -218.252999
where:
bonds (distance) C4'-P energy: -43.098
bonds (distance) P-C4' energy: -36.178
flat angles C4'-P-C4' energy: -48.749
flat angles P-C4'-P energy: -29.750
tors. eta vs tors. theta energy: -60.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -692.034138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.034138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.034138 (E_RNA)
where:
Base-Base interactions energy: -478.760
where: short stacking energy: -205.381
Base-Backbone interact. energy: 0.333
local terms energy: -213.607624
where:
bonds (distance) C4'-P energy: -39.829
bonds (distance) P-C4' energy: -37.174
flat angles C4'-P-C4' energy: -50.137
flat angles P-C4'-P energy: -30.201
tors. eta vs tors. theta energy: -56.266
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: 7, replica: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -654.901013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.901013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.901013 (E_RNA)
where:
Base-Base interactions energy: -443.488
where: short stacking energy: -179.180
Base-Backbone interact. energy: -0.659
local terms energy: -210.753610
where:
bonds (distance) C4'-P energy: -44.173
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -47.657
flat angles P-C4'-P energy: -30.598
tors. eta vs tors. theta energy: -50.330
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: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -488.281496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.281496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.281496 (E_RNA)
where:
Base-Base interactions energy: -333.595
where: short stacking energy: -154.946
Base-Backbone interact. energy: 1.604
local terms energy: -156.290613
where:
bonds (distance) C4'-P energy: -41.959
bonds (distance) P-C4' energy: -31.680
flat angles C4'-P-C4' energy: -24.566
flat angles P-C4'-P energy: -25.837
tors. eta vs tors. theta energy: -32.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -482.135040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.135040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.135040 (E_RNA)
where:
Base-Base interactions energy: -316.575
where: short stacking energy: -131.187
Base-Backbone interact. energy: -2.521
local terms energy: -163.038855
where:
bonds (distance) C4'-P energy: -30.157
bonds (distance) P-C4' energy: -50.915
flat angles C4'-P-C4' energy: -35.303
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: -24.871
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: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -243.578597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.578597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.578597 (E_RNA)
where:
Base-Base interactions energy: -110.412
where: short stacking energy: -90.682
Base-Backbone interact. energy: -0.592
local terms energy: -132.574307
where:
bonds (distance) C4'-P energy: -32.696
bonds (distance) P-C4' energy: -41.857
flat angles C4'-P-C4' energy: -42.538
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -869.466669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.466669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.466669 (E_RNA)
where:
Base-Base interactions energy: -616.900
where: short stacking energy: -247.300
Base-Backbone interact. energy: -2.042
local terms energy: -250.524761
where:
bonds (distance) C4'-P energy: -38.111
bonds (distance) P-C4' energy: -55.842
flat angles C4'-P-C4' energy: -52.863
flat angles P-C4'-P energy: -40.658
tors. eta vs tors. theta energy: -63.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -814.531564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.531564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.531564 (E_RNA)
where:
Base-Base interactions energy: -572.426
where: short stacking energy: -229.927
Base-Backbone interact. energy: 2.798
local terms energy: -244.903977
where:
bonds (distance) C4'-P energy: -54.251
bonds (distance) P-C4' energy: -45.606
flat angles C4'-P-C4' energy: -57.178
flat angles P-C4'-P energy: -33.328
tors. eta vs tors. theta energy: -54.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -773.954350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.954350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.954350 (E_RNA)
where:
Base-Base interactions energy: -522.755
where: short stacking energy: -231.941
Base-Backbone interact. energy: -0.514
local terms energy: -250.685261
where:
bonds (distance) C4'-P energy: -53.614
bonds (distance) P-C4' energy: -45.502
flat angles C4'-P-C4' energy: -54.506
flat angles P-C4'-P energy: -37.064
tors. eta vs tors. theta energy: -59.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -737.090850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.090850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.090850 (E_RNA)
where:
Base-Base interactions energy: -508.748
where: short stacking energy: -212.542
Base-Backbone interact. energy: 2.247
local terms energy: -230.590005
where:
bonds (distance) C4'-P energy: -47.526
bonds (distance) P-C4' energy: -44.997
flat angles C4'-P-C4' energy: -51.233
flat angles P-C4'-P energy: -33.973
tors. eta vs tors. theta energy: -52.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -745.689768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.689768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.689768 (E_RNA)
where:
Base-Base interactions energy: -510.239
where: short stacking energy: -233.800
Base-Backbone interact. energy: 0.127
local terms energy: -235.578057
where:
bonds (distance) C4'-P energy: -40.249
bonds (distance) P-C4' energy: -39.044
flat angles C4'-P-C4' energy: -51.576
flat angles P-C4'-P energy: -36.272
tors. eta vs tors. theta energy: -68.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -673.492457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.492457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.492457 (E_RNA)
where:
Base-Base interactions energy: -466.702
where: short stacking energy: -196.076
Base-Backbone interact. energy: -1.942
local terms energy: -204.849143
where:
bonds (distance) C4'-P energy: -44.529
bonds (distance) P-C4' energy: -38.481
flat angles C4'-P-C4' energy: -42.409
flat angles P-C4'-P energy: -19.858
tors. eta vs tors. theta energy: -59.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -669.957417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.957417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.957417 (E_RNA)
where:
Base-Base interactions energy: -457.995
where: short stacking energy: -193.430
Base-Backbone interact. energy: -1.512
local terms energy: -210.449830
where:
bonds (distance) C4'-P energy: -39.919
bonds (distance) P-C4' energy: -43.613
flat angles C4'-P-C4' energy: -47.700
flat angles P-C4'-P energy: -30.040
tors. eta vs tors. theta energy: -49.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -508.507585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.507585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.507585 (E_RNA)
where:
Base-Base interactions energy: -345.430
where: short stacking energy: -139.526
Base-Backbone interact. energy: -0.405
local terms energy: -162.672521
where:
bonds (distance) C4'-P energy: -36.727
bonds (distance) P-C4' energy: -37.227
flat angles C4'-P-C4' energy: -45.073
flat angles P-C4'-P energy: -18.148
tors. eta vs tors. theta energy: -25.498
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: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -492.882732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.882732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.882732 (E_RNA)
where:
Base-Base interactions energy: -309.925
where: short stacking energy: -143.339
Base-Backbone interact. energy: -1.830
local terms energy: -181.127256
where:
bonds (distance) C4'-P energy: -40.582
bonds (distance) P-C4' energy: -41.804
flat angles C4'-P-C4' energy: -39.801
flat angles P-C4'-P energy: -26.481
tors. eta vs tors. theta energy: -32.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -214.484078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.484078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.484078 (E_RNA)
where:
Base-Base interactions energy: -72.089
where: short stacking energy: -61.576
Base-Backbone interact. energy: 0.827
local terms energy: -143.222207
where:
bonds (distance) C4'-P energy: -40.742
bonds (distance) P-C4' energy: -51.449
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -30.159
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -876.696944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.696944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.696944 (E_RNA)
where:
Base-Base interactions energy: -633.190
where: short stacking energy: -254.499
Base-Backbone interact. energy: -3.276
local terms energy: -240.230779
where:
bonds (distance) C4'-P energy: -45.834
bonds (distance) P-C4' energy: -50.084
flat angles C4'-P-C4' energy: -50.680
flat angles P-C4'-P energy: -38.928
tors. eta vs tors. theta energy: -54.706
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: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -813.925143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.925143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.925143 (E_RNA)
where:
Base-Base interactions energy: -564.636
where: short stacking energy: -228.700
Base-Backbone interact. energy: -0.017
local terms energy: -249.272175
where:
bonds (distance) C4'-P energy: -44.228
bonds (distance) P-C4' energy: -47.078
flat angles C4'-P-C4' energy: -54.749
flat angles P-C4'-P energy: -40.344
tors. eta vs tors. theta energy: -62.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -768.754949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.754949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.754949 (E_RNA)
where:
Base-Base interactions energy: -511.249
where: short stacking energy: -223.702
Base-Backbone interact. energy: -1.990
local terms energy: -255.516396
where:
bonds (distance) C4'-P energy: -47.787
bonds (distance) P-C4' energy: -47.493
flat angles C4'-P-C4' energy: -57.491
flat angles P-C4'-P energy: -39.909
tors. eta vs tors. theta energy: -62.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -752.025163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.025163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.025163 (E_RNA)
where:
Base-Base interactions energy: -521.326
where: short stacking energy: -222.108
Base-Backbone interact. energy: -1.660
local terms energy: -229.038825
where:
bonds (distance) C4'-P energy: -39.891
bonds (distance) P-C4' energy: -45.051
flat angles C4'-P-C4' energy: -50.153
flat angles P-C4'-P energy: -29.675
tors. eta vs tors. theta energy: -64.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -746.791193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.791193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.791193 (E_RNA)
where:
Base-Base interactions energy: -507.315
where: short stacking energy: -231.098
Base-Backbone interact. energy: -1.899
local terms energy: -237.577291
where:
bonds (distance) C4'-P energy: -41.842
bonds (distance) P-C4' energy: -45.973
flat angles C4'-P-C4' energy: -43.738
flat angles P-C4'-P energy: -39.178
tors. eta vs tors. theta energy: -66.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -639.567644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.567644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.567644 (E_RNA)
where:
Base-Base interactions energy: -432.654
where: short stacking energy: -203.855
Base-Backbone interact. energy: -0.204
local terms energy: -206.709754
where:
bonds (distance) C4'-P energy: -29.955
bonds (distance) P-C4' energy: -40.732
flat angles C4'-P-C4' energy: -51.353
flat angles P-C4'-P energy: -34.767
tors. eta vs tors. theta energy: -49.902
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: 7, replica: 6
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -648.461226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.461226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.461226 (E_RNA)
where:
Base-Base interactions energy: -431.522
where: short stacking energy: -187.613
Base-Backbone interact. energy: -0.587
local terms energy: -216.352419
where:
bonds (distance) C4'-P energy: -38.669
bonds (distance) P-C4' energy: -47.427
flat angles C4'-P-C4' energy: -44.773
flat angles P-C4'-P energy: -30.484
tors. eta vs tors. theta energy: -55.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -524.413811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.413811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.413811 (E_RNA)
where:
Base-Base interactions energy: -352.552
where: short stacking energy: -155.567
Base-Backbone interact. energy: -0.607
local terms energy: -171.254574
where:
bonds (distance) C4'-P energy: -46.260
bonds (distance) P-C4' energy: -33.091
flat angles C4'-P-C4' energy: -34.506
flat angles P-C4'-P energy: -28.405
tors. eta vs tors. theta energy: -28.993
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: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -474.589221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.589221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.589221 (E_RNA)
where:
Base-Base interactions energy: -306.256
where: short stacking energy: -145.990
Base-Backbone interact. energy: -0.496
local terms energy: -167.837787
where:
bonds (distance) C4'-P energy: -38.559
bonds (distance) P-C4' energy: -46.456
flat angles C4'-P-C4' energy: -30.547
flat angles P-C4'-P energy: -30.652
tors. eta vs tors. theta energy: -21.624
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: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -207.359991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.359991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.359991 (E_RNA)
where:
Base-Base interactions energy: -63.891
where: short stacking energy: -59.492
Base-Backbone interact. energy: -0.304
local terms energy: -143.164687
where:
bonds (distance) C4'-P energy: -47.424
bonds (distance) P-C4' energy: -32.803
flat angles C4'-P-C4' energy: -42.373
flat angles P-C4'-P energy: -24.906
tors. eta vs tors. theta energy: 4.342
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: 321
Temperature: 0.900000
Total energy: -867.541605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.541605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.541605 (E_RNA)
where:
Base-Base interactions energy: -614.979
where: short stacking energy: -239.470
Base-Backbone interact. energy: -2.049
local terms energy: -250.513986
where:
bonds (distance) C4'-P energy: -50.537
bonds (distance) P-C4' energy: -48.356
flat angles C4'-P-C4' energy: -54.587
flat angles P-C4'-P energy: -41.516
tors. eta vs tors. theta energy: -55.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -812.182955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.182955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.182955 (E_RNA)
where:
Base-Base interactions energy: -565.865
where: short stacking energy: -237.545
Base-Backbone interact. energy: 0.213
local terms energy: -246.530730
where:
bonds (distance) C4'-P energy: -50.670
bonds (distance) P-C4' energy: -49.468
flat angles C4'-P-C4' energy: -53.983
flat angles P-C4'-P energy: -36.480
tors. eta vs tors. theta energy: -55.929
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: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -766.155721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.155721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.155721 (E_RNA)
where:
Base-Base interactions energy: -526.195
where: short stacking energy: -219.934
Base-Backbone interact. energy: -0.519
local terms energy: -239.441721
where:
bonds (distance) C4'-P energy: -42.358
bonds (distance) P-C4' energy: -47.672
flat angles C4'-P-C4' energy: -44.796
flat angles P-C4'-P energy: -39.277
tors. eta vs tors. theta energy: -65.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -776.298017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.298017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.298017 (E_RNA)
where:
Base-Base interactions energy: -534.588
where: short stacking energy: -257.819
Base-Backbone interact. energy: -1.263
local terms energy: -240.447290
where:
bonds (distance) C4'-P energy: -44.581
bonds (distance) P-C4' energy: -46.525
flat angles C4'-P-C4' energy: -51.263
flat angles P-C4'-P energy: -25.943
tors. eta vs tors. theta energy: -72.135
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: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -772.530876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.530876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.530876 (E_RNA)
where:
Base-Base interactions energy: -531.261
where: short stacking energy: -230.426
Base-Backbone interact. energy: -0.393
local terms energy: -240.876959
where:
bonds (distance) C4'-P energy: -38.857
bonds (distance) P-C4' energy: -48.010
flat angles C4'-P-C4' energy: -50.061
flat angles P-C4'-P energy: -37.516
tors. eta vs tors. theta energy: -66.432
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: 321
Temperature: 1.150000
Total energy: -683.188541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.188541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.188541 (E_RNA)
where:
Base-Base interactions energy: -460.108
where: short stacking energy: -201.204
Base-Backbone interact. energy: -1.414
local terms energy: -221.665905
where:
bonds (distance) C4'-P energy: -42.238
bonds (distance) P-C4' energy: -41.578
flat angles C4'-P-C4' energy: -51.025
flat angles P-C4'-P energy: -32.170
tors. eta vs tors. theta energy: -54.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -658.111455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.111455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.111455 (E_RNA)
where:
Base-Base interactions energy: -458.512
where: short stacking energy: -206.351
Base-Backbone interact. energy: 3.724
local terms energy: -203.322529
where:
bonds (distance) C4'-P energy: -35.036
bonds (distance) P-C4' energy: -34.775
flat angles C4'-P-C4' energy: -47.902
flat angles P-C4'-P energy: -32.078
tors. eta vs tors. theta energy: -53.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -575.933359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.933359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.933359 (E_RNA)
where:
Base-Base interactions energy: -401.910
where: short stacking energy: -162.987
Base-Backbone interact. energy: -1.589
local terms energy: -172.434219
where:
bonds (distance) C4'-P energy: -37.244
bonds (distance) P-C4' energy: -36.662
flat angles C4'-P-C4' energy: -38.339
flat angles P-C4'-P energy: -28.479
tors. eta vs tors. theta energy: -31.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -460.906144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.906144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.906144 (E_RNA)
where:
Base-Base interactions energy: -289.189
where: short stacking energy: -156.375
Base-Backbone interact. energy: -0.628
local terms energy: -171.088978
where:
bonds (distance) C4'-P energy: -40.760
bonds (distance) P-C4' energy: -43.516
flat angles C4'-P-C4' energy: -33.159
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -31.718
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: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -215.112454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.112454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.112454 (E_RNA)
where:
Base-Base interactions energy: -66.207
where: short stacking energy: -62.964
Base-Backbone interact. energy: -0.593
local terms energy: -148.311486
where:
bonds (distance) C4'-P energy: -49.394
bonds (distance) P-C4' energy: -47.619
flat angles C4'-P-C4' energy: -34.382
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -860.685938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.685938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.685938 (E_RNA)
where:
Base-Base interactions energy: -609.987
where: short stacking energy: -260.080
Base-Backbone interact. energy: -2.347
local terms energy: -248.352617
where:
bonds (distance) C4'-P energy: -39.349
bonds (distance) P-C4' energy: -49.543
flat angles C4'-P-C4' energy: -59.860
flat angles P-C4'-P energy: -39.799
tors. eta vs tors. theta energy: -59.802
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: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -797.070636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.070636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.070636 (E_RNA)
where:
Base-Base interactions energy: -564.202
where: short stacking energy: -218.994
Base-Backbone interact. energy: -0.274
local terms energy: -232.594564
where:
bonds (distance) C4'-P energy: -49.256
bonds (distance) P-C4' energy: -51.424
flat angles C4'-P-C4' energy: -45.897
flat angles P-C4'-P energy: -30.894
tors. eta vs tors. theta energy: -55.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -798.189986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.189986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.189986 (E_RNA)
where:
Base-Base interactions energy: -548.917
where: short stacking energy: -248.527
Base-Backbone interact. energy: -0.325
local terms energy: -248.948212
where:
bonds (distance) C4'-P energy: -44.859
bonds (distance) P-C4' energy: -46.830
flat angles C4'-P-C4' energy: -51.864
flat angles P-C4'-P energy: -30.108
tors. eta vs tors. theta energy: -75.286
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: 4, replica: 8
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -753.510063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.510063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.510063 (E_RNA)
where:
Base-Base interactions energy: -511.290
where: short stacking energy: -223.246
Base-Backbone interact. energy: -0.805
local terms energy: -241.415519
where:
bonds (distance) C4'-P energy: -47.256
bonds (distance) P-C4' energy: -41.489
flat angles C4'-P-C4' energy: -53.097
flat angles P-C4'-P energy: -36.580
tors. eta vs tors. theta energy: -62.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -754.627122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.627122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.627122 (E_RNA)
where:
Base-Base interactions energy: -497.080
where: short stacking energy: -227.595
Base-Backbone interact. energy: -2.053
local terms energy: -255.494728
where:
bonds (distance) C4'-P energy: -41.835
bonds (distance) P-C4' energy: -51.237
flat angles C4'-P-C4' energy: -52.848
flat angles P-C4'-P energy: -34.759
tors. eta vs tors. theta energy: -74.816
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: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -678.618577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.618577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.618577 (E_RNA)
where:
Base-Base interactions energy: -450.958
where: short stacking energy: -212.352
Base-Backbone interact. energy: -1.386
local terms energy: -226.273644
where:
bonds (distance) C4'-P energy: -33.546
bonds (distance) P-C4' energy: -41.556
flat angles C4'-P-C4' energy: -54.849
flat angles P-C4'-P energy: -36.883
tors. eta vs tors. theta energy: -59.440
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: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -642.573676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.573676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.573676 (E_RNA)
where:
Base-Base interactions energy: -443.082
where: short stacking energy: -204.263
Base-Backbone interact. energy: 0.882
local terms energy: -200.373532
where:
bonds (distance) C4'-P energy: -35.849
bonds (distance) P-C4' energy: -41.639
flat angles C4'-P-C4' energy: -40.446
flat angles P-C4'-P energy: -30.983
tors. eta vs tors. theta energy: -51.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -580.272898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.272898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.272898 (E_RNA)
where:
Base-Base interactions energy: -397.182
where: short stacking energy: -157.456
Base-Backbone interact. energy: -0.505
local terms energy: -182.586113
where:
bonds (distance) C4'-P energy: -35.220
bonds (distance) P-C4' energy: -41.416
flat angles C4'-P-C4' energy: -40.093
flat angles P-C4'-P energy: -25.760
tors. eta vs tors. theta energy: -40.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -456.283953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.283953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.283953 (E_RNA)
where:
Base-Base interactions energy: -279.250
where: short stacking energy: -139.956
Base-Backbone interact. energy: -0.274
local terms energy: -176.760063
where:
bonds (distance) C4'-P energy: -45.948
bonds (distance) P-C4' energy: -28.647
flat angles C4'-P-C4' energy: -44.017
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -32.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -227.942662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.942662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.942662 (E_RNA)
where:
Base-Base interactions energy: -95.164
where: short stacking energy: -77.848
Base-Backbone interact. energy: -0.712
local terms energy: -132.067554
where:
bonds (distance) C4'-P energy: -41.307
bonds (distance) P-C4' energy: -38.026
flat angles C4'-P-C4' energy: -35.054
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -878.473705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.473705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.473705 (E_RNA)
where:
Base-Base interactions energy: -621.162
where: short stacking energy: -257.472
Base-Backbone interact. energy: -0.616
local terms energy: -256.696146
where:
bonds (distance) C4'-P energy: -46.638
bonds (distance) P-C4' energy: -51.507
flat angles C4'-P-C4' energy: -51.208
flat angles P-C4'-P energy: -42.925
tors. eta vs tors. theta energy: -64.419
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: 4
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -817.422425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.422425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.422425 (E_RNA)
where:
Base-Base interactions energy: -571.919
where: short stacking energy: -236.947
Base-Backbone interact. energy: 0.520
local terms energy: -246.022944
where:
bonds (distance) C4'-P energy: -47.695
bonds (distance) P-C4' energy: -45.135
flat angles C4'-P-C4' energy: -48.834
flat angles P-C4'-P energy: -38.973
tors. eta vs tors. theta energy: -65.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -815.665024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.665024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.665024 (E_RNA)
where:
Base-Base interactions energy: -560.268
where: short stacking energy: -259.089
Base-Backbone interact. energy: -0.956
local terms energy: -254.441144
where:
bonds (distance) C4'-P energy: -41.513
bonds (distance) P-C4' energy: -43.756
flat angles C4'-P-C4' energy: -52.642
flat angles P-C4'-P energy: -40.698
tors. eta vs tors. theta energy: -75.832
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: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -753.747485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.747485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.747485 (E_RNA)
where:
Base-Base interactions energy: -513.658
where: short stacking energy: -234.456
Base-Backbone interact. energy: -0.333
local terms energy: -239.756706
where:
bonds (distance) C4'-P energy: -38.534
bonds (distance) P-C4' energy: -44.089
flat angles C4'-P-C4' energy: -50.753
flat angles P-C4'-P energy: -35.992
tors. eta vs tors. theta energy: -70.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -729.059844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.059844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.059844 (E_RNA)
where:
Base-Base interactions energy: -516.019
where: short stacking energy: -223.771
Base-Backbone interact. energy: -0.949
local terms energy: -212.092340
where:
bonds (distance) C4'-P energy: -34.297
bonds (distance) P-C4' energy: -36.126
flat angles C4'-P-C4' energy: -52.057
flat angles P-C4'-P energy: -29.225
tors. eta vs tors. theta energy: -60.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -689.465884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.465884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.465884 (E_RNA)
where:
Base-Base interactions energy: -467.755
where: short stacking energy: -204.673
Base-Backbone interact. energy: 1.405
local terms energy: -223.116466
where:
bonds (distance) C4'-P energy: -41.547
bonds (distance) P-C4' energy: -42.050
flat angles C4'-P-C4' energy: -45.089
flat angles P-C4'-P energy: -33.913
tors. eta vs tors. theta energy: -60.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -572.050698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.050698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.050698 (E_RNA)
where:
Base-Base interactions energy: -384.308
where: short stacking energy: -172.366
Base-Backbone interact. energy: -0.433
local terms energy: -187.309306
where:
bonds (distance) C4'-P energy: -40.524
bonds (distance) P-C4' energy: -46.671
flat angles C4'-P-C4' energy: -38.568
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: -38.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -574.772562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.772562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.772562 (E_RNA)
where:
Base-Base interactions energy: -377.606
where: short stacking energy: -155.846
Base-Backbone interact. energy: -0.769
local terms energy: -196.397766
where:
bonds (distance) C4'-P energy: -43.712
bonds (distance) P-C4' energy: -42.319
flat angles C4'-P-C4' energy: -45.319
flat angles P-C4'-P energy: -28.329
tors. eta vs tors. theta energy: -36.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -460.420249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.420249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.420249 (E_RNA)
where:
Base-Base interactions energy: -276.701
where: short stacking energy: -128.068
Base-Backbone interact. energy: 0.231
local terms energy: -183.950244
where:
bonds (distance) C4'-P energy: -37.007
bonds (distance) P-C4' energy: -49.949
flat angles C4'-P-C4' energy: -41.416
flat angles P-C4'-P energy: -32.411
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -225.765302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.765302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.765302 (E_RNA)
where:
Base-Base interactions energy: -95.647
where: short stacking energy: -65.081
Base-Backbone interact. energy: 0.486
local terms energy: -130.604174
where:
bonds (distance) C4'-P energy: -42.004
bonds (distance) P-C4' energy: -37.187
flat angles C4'-P-C4' energy: -39.158
flat angles P-C4'-P energy: -19.369
tors. eta vs tors. theta energy: 7.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -867.291379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.291379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.291379 (E_RNA)
where:
Base-Base interactions energy: -595.414
where: short stacking energy: -240.727
Base-Backbone interact. energy: -2.665
local terms energy: -269.212162
where:
bonds (distance) C4'-P energy: -55.570
bonds (distance) P-C4' energy: -54.578
flat angles C4'-P-C4' energy: -52.749
flat angles P-C4'-P energy: -42.467
tors. eta vs tors. theta energy: -63.849
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: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -829.906071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.906071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.906071 (E_RNA)
where:
Base-Base interactions energy: -585.285
where: short stacking energy: -226.863
Base-Backbone interact. energy: -0.616
local terms energy: -244.004646
where:
bonds (distance) C4'-P energy: -47.411
bonds (distance) P-C4' energy: -45.407
flat angles C4'-P-C4' energy: -55.604
flat angles P-C4'-P energy: -32.136
tors. eta vs tors. theta energy: -63.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -795.482341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.482341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.482341 (E_RNA)
where:
Base-Base interactions energy: -549.588
where: short stacking energy: -253.292
Base-Backbone interact. energy: -0.400
local terms energy: -245.494213
where:
bonds (distance) C4'-P energy: -42.543
bonds (distance) P-C4' energy: -46.742
flat angles C4'-P-C4' energy: -52.997
flat angles P-C4'-P energy: -30.510
tors. eta vs tors. theta energy: -72.702
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: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -747.694526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.694526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.694526 (E_RNA)
where:
Base-Base interactions energy: -513.045
where: short stacking energy: -230.396
Base-Backbone interact. energy: -1.178
local terms energy: -233.471735
where:
bonds (distance) C4'-P energy: -39.527
bonds (distance) P-C4' energy: -38.418
flat angles C4'-P-C4' energy: -53.229
flat angles P-C4'-P energy: -36.196
tors. eta vs tors. theta energy: -66.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -695.808819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.808819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.808819 (E_RNA)
where:
Base-Base interactions energy: -485.495
where: short stacking energy: -194.833
Base-Backbone interact. energy: -1.166
local terms energy: -209.148331
where:
bonds (distance) C4'-P energy: -40.119
bonds (distance) P-C4' energy: -47.735
flat angles C4'-P-C4' energy: -48.665
flat angles P-C4'-P energy: -23.717
tors. eta vs tors. theta energy: -48.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -710.299566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.299566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.299566 (E_RNA)
where:
Base-Base interactions energy: -485.540
where: short stacking energy: -223.239
Base-Backbone interact. energy: -0.694
local terms energy: -224.065547
where:
bonds (distance) C4'-P energy: -46.806
bonds (distance) P-C4' energy: -38.841
flat angles C4'-P-C4' energy: -48.582
flat angles P-C4'-P energy: -26.403
tors. eta vs tors. theta energy: -63.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -577.821007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.821007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.821007 (E_RNA)
where:
Base-Base interactions energy: -371.628
where: short stacking energy: -167.270
Base-Backbone interact. energy: -1.108
local terms energy: -205.084727
where:
bonds (distance) C4'-P energy: -39.606
bonds (distance) P-C4' energy: -41.804
flat angles C4'-P-C4' energy: -43.913
flat angles P-C4'-P energy: -33.759
tors. eta vs tors. theta energy: -46.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -551.591600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.591600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.591600 (E_RNA)
where:
Base-Base interactions energy: -369.145
where: short stacking energy: -155.532
Base-Backbone interact. energy: -0.779
local terms energy: -181.667812
where:
bonds (distance) C4'-P energy: -40.482
bonds (distance) P-C4' energy: -43.687
flat angles C4'-P-C4' energy: -42.440
flat angles P-C4'-P energy: -25.313
tors. eta vs tors. theta energy: -29.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -431.041232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.041232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.041232 (E_RNA)
where:
Base-Base interactions energy: -256.789
where: short stacking energy: -130.282
Base-Backbone interact. energy: 0.507
local terms energy: -174.758992
where:
bonds (distance) C4'-P energy: -36.094
bonds (distance) P-C4' energy: -33.708
flat angles C4'-P-C4' energy: -42.996
flat angles P-C4'-P energy: -31.119
tors. eta vs tors. theta energy: -30.841
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: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -226.418857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.418857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.418857 (E_RNA)
where:
Base-Base interactions energy: -95.483
where: short stacking energy: -82.576
Base-Backbone interact. energy: -0.281
local terms energy: -130.654520
where:
bonds (distance) C4'-P energy: -32.996
bonds (distance) P-C4' energy: -43.480
flat angles C4'-P-C4' energy: -27.302
flat angles P-C4'-P energy: -20.710
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -863.245159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.245159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.245159 (E_RNA)
where:
Base-Base interactions energy: -619.663
where: short stacking energy: -249.202
Base-Backbone interact. energy: -0.771
local terms energy: -242.810697
where:
bonds (distance) C4'-P energy: -44.689
bonds (distance) P-C4' energy: -47.089
flat angles C4'-P-C4' energy: -51.322
flat angles P-C4'-P energy: -38.520
tors. eta vs tors. theta energy: -61.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -813.042805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.042805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.042805 (E_RNA)
where:
Base-Base interactions energy: -578.005
where: short stacking energy: -231.206
Base-Backbone interact. energy: -0.133
local terms energy: -234.904800
where:
bonds (distance) C4'-P energy: -45.073
bonds (distance) P-C4' energy: -42.985
flat angles C4'-P-C4' energy: -50.080
flat angles P-C4'-P energy: -37.569
tors. eta vs tors. theta energy: -59.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -818.629682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.629682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.629682 (E_RNA)
where:
Base-Base interactions energy: -554.502
where: short stacking energy: -258.035
Base-Backbone interact. energy: 0.016
local terms energy: -264.143128
where:
bonds (distance) C4'-P energy: -43.092
bonds (distance) P-C4' energy: -48.547
flat angles C4'-P-C4' energy: -52.790
flat angles P-C4'-P energy: -39.590
tors. eta vs tors. theta energy: -80.125
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: 325
Temperature: 1.050000
Total energy: -762.407479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.407479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.407479 (E_RNA)
where:
Base-Base interactions energy: -508.566
where: short stacking energy: -218.312
Base-Backbone interact. energy: 0.012
local terms energy: -253.853124
where:
bonds (distance) C4'-P energy: -44.234
bonds (distance) P-C4' energy: -48.655
flat angles C4'-P-C4' energy: -54.896
flat angles P-C4'-P energy: -37.354
tors. eta vs tors. theta energy: -68.714
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: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -723.319050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.319050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.319050 (E_RNA)
where:
Base-Base interactions energy: -502.716
where: short stacking energy: -204.989
Base-Backbone interact. energy: 0.740
local terms energy: -221.342532
where:
bonds (distance) C4'-P energy: -40.914
bonds (distance) P-C4' energy: -43.536
flat angles C4'-P-C4' energy: -46.886
flat angles P-C4'-P energy: -31.763
tors. eta vs tors. theta energy: -58.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -722.603193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.603193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.603193 (E_RNA)
where:
Base-Base interactions energy: -508.102
where: short stacking energy: -230.300
Base-Backbone interact. energy: -2.704
local terms energy: -211.797840
where:
bonds (distance) C4'-P energy: -34.110
bonds (distance) P-C4' energy: -37.155
flat angles C4'-P-C4' energy: -50.922
flat angles P-C4'-P energy: -28.578
tors. eta vs tors. theta energy: -61.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -597.789232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.789232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.789232 (E_RNA)
where:
Base-Base interactions energy: -410.108
where: short stacking energy: -190.380
Base-Backbone interact. energy: -0.780
local terms energy: -186.901817
where:
bonds (distance) C4'-P energy: -39.457
bonds (distance) P-C4' energy: -35.789
flat angles C4'-P-C4' energy: -33.678
flat angles P-C4'-P energy: -25.088
tors. eta vs tors. theta energy: -52.890
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: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -576.559173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.559173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.559173 (E_RNA)
where:
Base-Base interactions energy: -376.679
where: short stacking energy: -175.432
Base-Backbone interact. energy: -3.091
local terms energy: -196.788629
where:
bonds (distance) C4'-P energy: -37.105
bonds (distance) P-C4' energy: -44.520
flat angles C4'-P-C4' energy: -38.626
flat angles P-C4'-P energy: -30.189
tors. eta vs tors. theta energy: -46.349
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: 3
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -400.932300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.932300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.932300 (E_RNA)
where:
Base-Base interactions energy: -256.301
where: short stacking energy: -136.520
Base-Backbone interact. energy: 0.756
local terms energy: -145.387924
where:
bonds (distance) C4'-P energy: -40.754
bonds (distance) P-C4' energy: -39.903
flat angles C4'-P-C4' energy: -33.230
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -221.592796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.592796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.592796 (E_RNA)
where:
Base-Base interactions energy: -67.228
where: short stacking energy: -60.296
Base-Backbone interact. energy: 1.433
local terms energy: -155.797737
where:
bonds (distance) C4'-P energy: -39.287
bonds (distance) P-C4' energy: -48.191
flat angles C4'-P-C4' energy: -44.604
flat angles P-C4'-P energy: -23.310
tors. eta vs tors. theta energy: -0.406
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: 326
Temperature: 0.900000
Total energy: -865.195467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.195467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.195467 (E_RNA)
where:
Base-Base interactions energy: -621.310
where: short stacking energy: -247.118
Base-Backbone interact. energy: -1.566
local terms energy: -242.318978
where:
bonds (distance) C4'-P energy: -42.422
bonds (distance) P-C4' energy: -49.992
flat angles C4'-P-C4' energy: -51.734
flat angles P-C4'-P energy: -39.501
tors. eta vs tors. theta energy: -58.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -804.239821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.239821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.239821 (E_RNA)
where:
Base-Base interactions energy: -573.065
where: short stacking energy: -223.439
Base-Backbone interact. energy: 0.340
local terms energy: -231.514962
where:
bonds (distance) C4'-P energy: -33.967
bonds (distance) P-C4' energy: -45.274
flat angles C4'-P-C4' energy: -52.553
flat angles P-C4'-P energy: -42.149
tors. eta vs tors. theta energy: -57.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -819.269782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.269782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.269782 (E_RNA)
where:
Base-Base interactions energy: -549.467
where: short stacking energy: -252.281
Base-Backbone interact. energy: -0.937
local terms energy: -268.866347
where:
bonds (distance) C4'-P energy: -37.149
bonds (distance) P-C4' energy: -54.590
flat angles C4'-P-C4' energy: -54.616
flat angles P-C4'-P energy: -39.916
tors. eta vs tors. theta energy: -82.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -747.322065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.322065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.322065 (E_RNA)
where:
Base-Base interactions energy: -509.745
where: short stacking energy: -235.650
Base-Backbone interact. energy: -0.615
local terms energy: -236.961278
where:
bonds (distance) C4'-P energy: -44.428
bonds (distance) P-C4' energy: -41.586
flat angles C4'-P-C4' energy: -52.707
flat angles P-C4'-P energy: -30.061
tors. eta vs tors. theta energy: -68.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -724.102381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.102381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.102381 (E_RNA)
where:
Base-Base interactions energy: -494.787
where: short stacking energy: -198.781
Base-Backbone interact. energy: -0.982
local terms energy: -228.333231
where:
bonds (distance) C4'-P energy: -43.541
bonds (distance) P-C4' energy: -45.971
flat angles C4'-P-C4' energy: -57.388
flat angles P-C4'-P energy: -34.655
tors. eta vs tors. theta energy: -46.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -696.813955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.813955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.813955 (E_RNA)
where:
Base-Base interactions energy: -481.714
where: short stacking energy: -208.114
Base-Backbone interact. energy: 0.157
local terms energy: -215.256911
where:
bonds (distance) C4'-P energy: -35.840
bonds (distance) P-C4' energy: -43.616
flat angles C4'-P-C4' energy: -47.335
flat angles P-C4'-P energy: -36.447
tors. eta vs tors. theta energy: -52.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -604.616962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.616962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.616962 (E_RNA)
where:
Base-Base interactions energy: -417.012
where: short stacking energy: -176.483
Base-Backbone interact. energy: 2.226
local terms energy: -189.830622
where:
bonds (distance) C4'-P energy: -35.477
bonds (distance) P-C4' energy: -43.692
flat angles C4'-P-C4' energy: -38.857
flat angles P-C4'-P energy: -28.748
tors. eta vs tors. theta energy: -43.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -556.191274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.191274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.191274 (E_RNA)
where:
Base-Base interactions energy: -347.952
where: short stacking energy: -161.875
Base-Backbone interact. energy: -1.646
local terms energy: -206.593066
where:
bonds (distance) C4'-P energy: -46.825
bonds (distance) P-C4' energy: -41.246
flat angles C4'-P-C4' energy: -45.993
flat angles P-C4'-P energy: -30.979
tors. eta vs tors. theta energy: -41.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -405.554770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.554770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.554770 (E_RNA)
where:
Base-Base interactions energy: -229.205
where: short stacking energy: -115.345
Base-Backbone interact. energy: 4.365
local terms energy: -180.714731
where:
bonds (distance) C4'-P energy: -43.026
bonds (distance) P-C4' energy: -46.747
flat angles C4'-P-C4' energy: -45.352
flat angles P-C4'-P energy: -29.708
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -275.407438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.407438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.407438 (E_RNA)
where:
Base-Base interactions energy: -132.137
where: short stacking energy: -78.565
Base-Backbone interact. energy: 1.316
local terms energy: -144.586216
where:
bonds (distance) C4'-P energy: -31.138
bonds (distance) P-C4' energy: -48.846
flat angles C4'-P-C4' energy: -39.757
flat angles P-C4'-P energy: -25.773
tors. eta vs tors. theta energy: 0.928
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: 327
Temperature: 0.900000
Total energy: -871.241748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.241748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.241748 (E_RNA)
where:
Base-Base interactions energy: -629.079
where: short stacking energy: -241.971
Base-Backbone interact. energy: -0.719
local terms energy: -241.443925
where:
bonds (distance) C4'-P energy: -41.037
bonds (distance) P-C4' energy: -49.291
flat angles C4'-P-C4' energy: -52.614
flat angles P-C4'-P energy: -37.122
tors. eta vs tors. theta energy: -61.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -816.655039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.655039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.655039 (E_RNA)
where:
Base-Base interactions energy: -564.304
where: short stacking energy: -255.817
Base-Backbone interact. energy: -0.296
local terms energy: -252.055051
where:
bonds (distance) C4'-P energy: -40.124
bonds (distance) P-C4' energy: -49.252
flat angles C4'-P-C4' energy: -53.577
flat angles P-C4'-P energy: -36.040
tors. eta vs tors. theta energy: -73.062
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: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -784.968333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.968333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.968333 (E_RNA)
where:
Base-Base interactions energy: -566.078
where: short stacking energy: -229.563
Base-Backbone interact. energy: -0.681
local terms energy: -218.208933
where:
bonds (distance) C4'-P energy: -44.349
bonds (distance) P-C4' energy: -46.892
flat angles C4'-P-C4' energy: -48.911
flat angles P-C4'-P energy: -24.621
tors. eta vs tors. theta energy: -53.436
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: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -769.737740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.737740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.737740 (E_RNA)
where:
Base-Base interactions energy: -523.735
where: short stacking energy: -248.486
Base-Backbone interact. energy: -0.739
local terms energy: -245.264286
where:
bonds (distance) C4'-P energy: -50.089
bonds (distance) P-C4' energy: -42.750
flat angles C4'-P-C4' energy: -47.092
flat angles P-C4'-P energy: -33.923
tors. eta vs tors. theta energy: -71.410
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: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -728.435886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.435886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.435886 (E_RNA)
where:
Base-Base interactions energy: -487.573
where: short stacking energy: -205.408
Base-Backbone interact. energy: -0.744
local terms energy: -240.118875
where:
bonds (distance) C4'-P energy: -51.221
bonds (distance) P-C4' energy: -54.366
flat angles C4'-P-C4' energy: -47.696
flat angles P-C4'-P energy: -30.558
tors. eta vs tors. theta energy: -56.279
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: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -634.781683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.781683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.781683 (E_RNA)
where:
Base-Base interactions energy: -416.351
where: short stacking energy: -177.701
Base-Backbone interact. energy: -1.434
local terms energy: -216.997323
where:
bonds (distance) C4'-P energy: -51.736
bonds (distance) P-C4' energy: -35.639
flat angles C4'-P-C4' energy: -42.916
flat angles P-C4'-P energy: -43.013
tors. eta vs tors. theta energy: -43.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -577.129975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.129975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.129975 (E_RNA)
where:
Base-Base interactions energy: -384.902
where: short stacking energy: -161.021
Base-Backbone interact. energy: -0.619
local terms energy: -191.608454
where:
bonds (distance) C4'-P energy: -40.037
bonds (distance) P-C4' energy: -45.455
flat angles C4'-P-C4' energy: -47.787
flat angles P-C4'-P energy: -27.941
tors. eta vs tors. theta energy: -30.389
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: 5
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -540.625351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.625351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.625351 (E_RNA)
where:
Base-Base interactions energy: -359.545
where: short stacking energy: -156.707
Base-Backbone interact. energy: -0.977
local terms energy: -180.103086
where:
bonds (distance) C4'-P energy: -35.604
bonds (distance) P-C4' energy: -36.929
flat angles C4'-P-C4' energy: -49.073
flat angles P-C4'-P energy: -31.044
tors. eta vs tors. theta energy: -27.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -408.646480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.646480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.646480 (E_RNA)
where:
Base-Base interactions energy: -257.131
where: short stacking energy: -133.317
Base-Backbone interact. energy: -0.269
local terms energy: -151.246578
where:
bonds (distance) C4'-P energy: -39.722
bonds (distance) P-C4' energy: -31.044
flat angles C4'-P-C4' energy: -31.759
flat angles P-C4'-P energy: -23.086
tors. eta vs tors. theta energy: -25.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -221.908217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.908217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.908217 (E_RNA)
where:
Base-Base interactions energy: -89.385
where: short stacking energy: -55.965
Base-Backbone interact. energy: 0.991
local terms energy: -133.514338
where:
bonds (distance) C4'-P energy: -42.529
bonds (distance) P-C4' energy: -48.440
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -18.046
tors. eta vs tors. theta energy: 7.262
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: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -878.835942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.835942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.835942 (E_RNA)
where:
Base-Base interactions energy: -626.576
where: short stacking energy: -243.728
Base-Backbone interact. energy: -2.608
local terms energy: -249.652117
where:
bonds (distance) C4'-P energy: -49.995
bonds (distance) P-C4' energy: -49.117
flat angles C4'-P-C4' energy: -50.443
flat angles P-C4'-P energy: -42.582
tors. eta vs tors. theta energy: -57.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -824.549226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.549226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.549226 (E_RNA)
where:
Base-Base interactions energy: -566.786
where: short stacking energy: -263.621
Base-Backbone interact. energy: -1.239
local terms energy: -256.523751
where:
bonds (distance) C4'-P energy: -47.888
bonds (distance) P-C4' energy: -40.470
flat angles C4'-P-C4' energy: -54.375
flat angles P-C4'-P energy: -39.288
tors. eta vs tors. theta energy: -74.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -765.468792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.468792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.468792 (E_RNA)
where:
Base-Base interactions energy: -509.910
where: short stacking energy: -239.598
Base-Backbone interact. energy: -2.140
local terms energy: -253.418828
where:
bonds (distance) C4'-P energy: -47.654
bonds (distance) P-C4' energy: -50.522
flat angles C4'-P-C4' energy: -55.312
flat angles P-C4'-P energy: -32.649
tors. eta vs tors. theta energy: -67.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -761.525829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.525829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.525829 (E_RNA)
where:
Base-Base interactions energy: -534.156
where: short stacking energy: -208.261
Base-Backbone interact. energy: -0.692
local terms energy: -226.678349
where:
bonds (distance) C4'-P energy: -48.042
bonds (distance) P-C4' energy: -42.414
flat angles C4'-P-C4' energy: -48.175
flat angles P-C4'-P energy: -29.510
tors. eta vs tors. theta energy: -58.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -693.550524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.550524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.550524 (E_RNA)
where:
Base-Base interactions energy: -477.314
where: short stacking energy: -204.042
Base-Backbone interact. energy: -2.105
local terms energy: -214.131343
where:
bonds (distance) C4'-P energy: -40.915
bonds (distance) P-C4' energy: -46.688
flat angles C4'-P-C4' energy: -44.360
flat angles P-C4'-P energy: -32.041
tors. eta vs tors. theta energy: -50.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -672.783231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.783231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.783231 (E_RNA)
where:
Base-Base interactions energy: -474.784
where: short stacking energy: -202.776
Base-Backbone interact. energy: -1.619
local terms energy: -196.380087
where:
bonds (distance) C4'-P energy: -37.076
bonds (distance) P-C4' energy: -47.514
flat angles C4'-P-C4' energy: -38.058
flat angles P-C4'-P energy: -28.877
tors. eta vs tors. theta energy: -44.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -604.050080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.050080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.050080 (E_RNA)
where:
Base-Base interactions energy: -393.488
where: short stacking energy: -169.675
Base-Backbone interact. energy: -3.347
local terms energy: -207.215060
where:
bonds (distance) C4'-P energy: -35.257
bonds (distance) P-C4' energy: -50.795
flat angles C4'-P-C4' energy: -50.168
flat angles P-C4'-P energy: -30.733
tors. eta vs tors. theta energy: -40.262
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: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -560.370783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.370783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.370783 (E_RNA)
where:
Base-Base interactions energy: -356.162
where: short stacking energy: -159.903
Base-Backbone interact. energy: 0.061
local terms energy: -204.270099
where:
bonds (distance) C4'-P energy: -42.446
bonds (distance) P-C4' energy: -44.794
flat angles C4'-P-C4' energy: -49.062
flat angles P-C4'-P energy: -27.920
tors. eta vs tors. theta energy: -40.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -395.659971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.659971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.659971 (E_RNA)
where:
Base-Base interactions energy: -225.314
where: short stacking energy: -122.589
Base-Backbone interact. energy: 2.455
local terms energy: -172.800991
where:
bonds (distance) C4'-P energy: -40.565
bonds (distance) P-C4' energy: -43.393
flat angles C4'-P-C4' energy: -44.234
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -28.155
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: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -213.707180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.707180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.707180 (E_RNA)
where:
Base-Base interactions energy: -74.800
where: short stacking energy: -70.774
Base-Backbone interact. energy: -1.064
local terms energy: -137.843692
where:
bonds (distance) C4'-P energy: -41.183
bonds (distance) P-C4' energy: -36.381
flat angles C4'-P-C4' energy: -34.173
flat angles P-C4'-P energy: -26.286
tors. eta vs tors. theta energy: 0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -856.247349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.247349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.247349 (E_RNA)
where:
Base-Base interactions energy: -618.763
where: short stacking energy: -251.604
Base-Backbone interact. energy: -0.540
local terms energy: -236.944859
where:
bonds (distance) C4'-P energy: -46.276
bonds (distance) P-C4' energy: -41.883
flat angles C4'-P-C4' energy: -58.593
flat angles P-C4'-P energy: -34.126
tors. eta vs tors. theta energy: -56.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -831.164858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.164858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.164858 (E_RNA)
where:
Base-Base interactions energy: -566.075
where: short stacking energy: -269.422
Base-Backbone interact. energy: -0.021
local terms energy: -265.068901
where:
bonds (distance) C4'-P energy: -45.754
bonds (distance) P-C4' energy: -53.529
flat angles C4'-P-C4' energy: -43.827
flat angles P-C4'-P energy: -40.126
tors. eta vs tors. theta energy: -81.833
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: 329
Temperature: 1.000000
Total energy: -758.827101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.827101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.827101 (E_RNA)
where:
Base-Base interactions energy: -509.096
where: short stacking energy: -230.421
Base-Backbone interact. energy: -0.633
local terms energy: -249.097683
where:
bonds (distance) C4'-P energy: -50.905
bonds (distance) P-C4' energy: -36.689
flat angles C4'-P-C4' energy: -53.115
flat angles P-C4'-P energy: -39.645
tors. eta vs tors. theta energy: -68.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -780.220230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.220230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.220230 (E_RNA)
where:
Base-Base interactions energy: -554.565
where: short stacking energy: -210.101
Base-Backbone interact. energy: -2.140
local terms energy: -223.515612
where:
bonds (distance) C4'-P energy: -47.563
bonds (distance) P-C4' energy: -39.263
flat angles C4'-P-C4' energy: -42.401
flat angles P-C4'-P energy: -37.134
tors. eta vs tors. theta energy: -57.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -717.179877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.179877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.179877 (E_RNA)
where:
Base-Base interactions energy: -488.108
where: short stacking energy: -216.844
Base-Backbone interact. energy: -1.211
local terms energy: -227.861661
where:
bonds (distance) C4'-P energy: -37.941
bonds (distance) P-C4' energy: -42.370
flat angles C4'-P-C4' energy: -56.269
flat angles P-C4'-P energy: -32.996
tors. eta vs tors. theta energy: -58.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -673.973989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.973989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.973989 (E_RNA)
where:
Base-Base interactions energy: -458.544
where: short stacking energy: -187.830
Base-Backbone interact. energy: -1.171
local terms energy: -214.258569
where:
bonds (distance) C4'-P energy: -42.857
bonds (distance) P-C4' energy: -54.107
flat angles C4'-P-C4' energy: -48.576
flat angles P-C4'-P energy: -21.488
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: 7, replica: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -577.622098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.622098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.622098 (E_RNA)
where:
Base-Base interactions energy: -389.498
where: short stacking energy: -178.151
Base-Backbone interact. energy: -0.049
local terms energy: -188.075026
where:
bonds (distance) C4'-P energy: -31.660
bonds (distance) P-C4' energy: -40.797
flat angles C4'-P-C4' energy: -44.809
flat angles P-C4'-P energy: -27.999
tors. eta vs tors. theta energy: -42.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -564.160740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.160740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.160740 (E_RNA)
where:
Base-Base interactions energy: -374.575
where: short stacking energy: -160.751
Base-Backbone interact. energy: 0.640
local terms energy: -190.225934
where:
bonds (distance) C4'-P energy: -39.335
bonds (distance) P-C4' energy: -43.766
flat angles C4'-P-C4' energy: -37.942
flat angles P-C4'-P energy: -28.102
tors. eta vs tors. theta energy: -41.080
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: 3
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -396.937077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.937077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.937077 (E_RNA)
where:
Base-Base interactions energy: -219.377
where: short stacking energy: -109.263
Base-Backbone interact. energy: -1.413
local terms energy: -176.147417
where:
bonds (distance) C4'-P energy: -52.696
bonds (distance) P-C4' energy: -39.726
flat angles C4'-P-C4' energy: -43.358
flat angles P-C4'-P energy: -31.121
tors. eta vs tors. theta energy: -9.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -226.847580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.847580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.847580 (E_RNA)
where:
Base-Base interactions energy: -101.576
where: short stacking energy: -73.727
Base-Backbone interact. energy: 1.622
local terms energy: -126.894098
where:
bonds (distance) C4'-P energy: -30.147
bonds (distance) P-C4' energy: -35.349
flat angles C4'-P-C4' energy: -29.709
flat angles P-C4'-P energy: -29.761
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -862.718805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.718805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.718805 (E_RNA)
where:
Base-Base interactions energy: -601.045
where: short stacking energy: -252.076
Base-Backbone interact. energy: -2.723
local terms energy: -258.951550
where:
bonds (distance) C4'-P energy: -50.163
bonds (distance) P-C4' energy: -50.969
flat angles C4'-P-C4' energy: -51.609
flat angles P-C4'-P energy: -39.695
tors. eta vs tors. theta energy: -66.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -816.829300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.829300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.829300 (E_RNA)
where:
Base-Base interactions energy: -546.448
where: short stacking energy: -257.180
Base-Backbone interact. energy: -0.695
local terms energy: -269.686405
where:
bonds (distance) C4'-P energy: -51.073
bonds (distance) P-C4' energy: -48.393
flat angles C4'-P-C4' energy: -48.680
flat angles P-C4'-P energy: -41.605
tors. eta vs tors. theta energy: -79.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -803.169009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.169009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.169009 (E_RNA)
where:
Base-Base interactions energy: -571.477
where: short stacking energy: -225.239
Base-Backbone interact. energy: 2.355
local terms energy: -234.046362
where:
bonds (distance) C4'-P energy: -43.368
bonds (distance) P-C4' energy: -47.773
flat angles C4'-P-C4' energy: -50.083
flat angles P-C4'-P energy: -32.530
tors. eta vs tors. theta energy: -60.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -718.632769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.632769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.632769 (E_RNA)
where:
Base-Base interactions energy: -476.215
where: short stacking energy: -225.852
Base-Backbone interact. energy: -0.108
local terms energy: -242.309813
where:
bonds (distance) C4'-P energy: -50.080
bonds (distance) P-C4' energy: -39.529
flat angles C4'-P-C4' energy: -54.321
flat angles P-C4'-P energy: -34.602
tors. eta vs tors. theta energy: -63.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -709.213796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.213796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.213796 (E_RNA)
where:
Base-Base interactions energy: -467.657
where: short stacking energy: -210.968
Base-Backbone interact. energy: -1.130
local terms energy: -240.426682
where:
bonds (distance) C4'-P energy: -49.722
bonds (distance) P-C4' energy: -47.355
flat angles C4'-P-C4' energy: -48.666
flat angles P-C4'-P energy: -36.147
tors. eta vs tors. theta energy: -58.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -675.364589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.364589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.364589 (E_RNA)
where:
Base-Base interactions energy: -454.470
where: short stacking energy: -194.960
Base-Backbone interact. energy: -1.223
local terms energy: -219.672230
where:
bonds (distance) C4'-P energy: -44.203
bonds (distance) P-C4' energy: -44.836
flat angles C4'-P-C4' energy: -52.283
flat angles P-C4'-P energy: -26.620
tors. eta vs tors. theta energy: -51.730
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: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -583.574899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.574899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.574899 (E_RNA)
where:
Base-Base interactions energy: -394.635
where: short stacking energy: -163.157
Base-Backbone interact. energy: -0.620
local terms energy: -188.319138
where:
bonds (distance) C4'-P energy: -42.600
bonds (distance) P-C4' energy: -37.960
flat angles C4'-P-C4' energy: -40.032
flat angles P-C4'-P energy: -31.685
tors. eta vs tors. theta energy: -36.042
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: 5
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -540.919609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.919609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.919609 (E_RNA)
where:
Base-Base interactions energy: -370.343
where: short stacking energy: -141.569
Base-Backbone interact. energy: -1.873
local terms energy: -168.704181
where:
bonds (distance) C4'-P energy: -40.529
bonds (distance) P-C4' energy: -38.862
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -25.805
tors. eta vs tors. theta energy: -33.113
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: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -419.616150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.616150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.616150 (E_RNA)
where:
Base-Base interactions energy: -245.798
where: short stacking energy: -127.760
Base-Backbone interact. energy: -0.179
local terms energy: -173.638809
where:
bonds (distance) C4'-P energy: -42.795
bonds (distance) P-C4' energy: -38.321
flat angles C4'-P-C4' energy: -33.734
flat angles P-C4'-P energy: -33.910
tors. eta vs tors. theta energy: -24.879
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: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -202.387200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.387200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.387200 (E_RNA)
where:
Base-Base interactions energy: -76.277
where: short stacking energy: -62.986
Base-Backbone interact. energy: -1.678
local terms energy: -124.432023
where:
bonds (distance) C4'-P energy: -27.962
bonds (distance) P-C4' energy: -46.737
flat angles C4'-P-C4' energy: -30.246
flat angles P-C4'-P energy: -25.017
tors. eta vs tors. theta energy: 5.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -855.422734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.422734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.422734 (E_RNA)
where:
Base-Base interactions energy: -608.546
where: short stacking energy: -248.307
Base-Backbone interact. energy: -1.057
local terms energy: -245.819568
where:
bonds (distance) C4'-P energy: -49.156
bonds (distance) P-C4' energy: -44.542
flat angles C4'-P-C4' energy: -47.018
flat angles P-C4'-P energy: -35.960
tors. eta vs tors. theta energy: -69.144
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: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -827.362915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.362915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.362915 (E_RNA)
where:
Base-Base interactions energy: -574.195
where: short stacking energy: -270.075
Base-Backbone interact. energy: -0.735
local terms energy: -252.433083
where:
bonds (distance) C4'-P energy: -43.515
bonds (distance) P-C4' energy: -46.827
flat angles C4'-P-C4' energy: -50.750
flat angles P-C4'-P energy: -34.121
tors. eta vs tors. theta energy: -77.220
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: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -786.672131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.672131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.672131 (E_RNA)
where:
Base-Base interactions energy: -551.755
where: short stacking energy: -222.004
Base-Backbone interact. energy: -1.244
local terms energy: -233.673274
where:
bonds (distance) C4'-P energy: -40.401
bonds (distance) P-C4' energy: -45.084
flat angles C4'-P-C4' energy: -50.868
flat angles P-C4'-P energy: -40.350
tors. eta vs tors. theta energy: -56.971
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: 6
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -737.085848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.085848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.085848 (E_RNA)
where:
Base-Base interactions energy: -504.670
where: short stacking energy: -208.482
Base-Backbone interact. energy: -0.551
local terms energy: -231.864879
where:
bonds (distance) C4'-P energy: -42.829
bonds (distance) P-C4' energy: -51.625
flat angles C4'-P-C4' energy: -50.253
flat angles P-C4'-P energy: -29.289
tors. eta vs tors. theta energy: -57.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -693.210118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.210118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.210118 (E_RNA)
where:
Base-Base interactions energy: -441.228
where: short stacking energy: -197.515
Base-Backbone interact. energy: -1.341
local terms energy: -250.641520
where:
bonds (distance) C4'-P energy: -54.569
bonds (distance) P-C4' energy: -55.153
flat angles C4'-P-C4' energy: -50.283
flat angles P-C4'-P energy: -32.364
tors. eta vs tors. theta energy: -58.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -676.613623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.613623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.613623 (E_RNA)
where:
Base-Base interactions energy: -463.552
where: short stacking energy: -199.400
Base-Backbone interact. energy: -0.287
local terms energy: -212.774550
where:
bonds (distance) C4'-P energy: -34.008
bonds (distance) P-C4' energy: -48.578
flat angles C4'-P-C4' energy: -51.265
flat angles P-C4'-P energy: -30.023
tors. eta vs tors. theta energy: -48.902
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: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -603.046033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.046033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.046033 (E_RNA)
where:
Base-Base interactions energy: -404.347
where: short stacking energy: -156.093
Base-Backbone interact. energy: -0.268
local terms energy: -198.431823
where:
bonds (distance) C4'-P energy: -40.642
bonds (distance) P-C4' energy: -54.717
flat angles C4'-P-C4' energy: -44.309
flat angles P-C4'-P energy: -21.609
tors. eta vs tors. theta energy: -37.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -418.501114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.501114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.501114 (E_RNA)
where:
Base-Base interactions energy: -256.137
where: short stacking energy: -109.118
Base-Backbone interact. energy: 1.142
local terms energy: -163.506171
where:
bonds (distance) C4'-P energy: -47.170
bonds (distance) P-C4' energy: -48.749
flat angles C4'-P-C4' energy: -38.479
flat angles P-C4'-P energy: -28.289
tors. eta vs tors. theta energy: -0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -504.206697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.206697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.206697 (E_RNA)
where:
Base-Base interactions energy: -333.814
where: short stacking energy: -128.845
Base-Backbone interact. energy: -2.343
local terms energy: -168.050050
where:
bonds (distance) C4'-P energy: -39.743
bonds (distance) P-C4' energy: -35.316
flat angles C4'-P-C4' energy: -43.388
flat angles P-C4'-P energy: -29.143
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -228.428035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.428035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.428035 (E_RNA)
where:
Base-Base interactions energy: -77.408
where: short stacking energy: -76.610
Base-Backbone interact. energy: 1.078
local terms energy: -152.098006
where:
bonds (distance) C4'-P energy: -35.661
bonds (distance) P-C4' energy: -52.669
flat angles C4'-P-C4' energy: -41.936
flat angles P-C4'-P energy: -20.510
tors. eta vs tors. theta energy: -1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -855.789265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.789265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.789265 (E_RNA)
where:
Base-Base interactions energy: -613.089
where: short stacking energy: -246.063
Base-Backbone interact. energy: 1.701
local terms energy: -244.401794
where:
bonds (distance) C4'-P energy: -42.241
bonds (distance) P-C4' energy: -42.207
flat angles C4'-P-C4' energy: -58.522
flat angles P-C4'-P energy: -38.262
tors. eta vs tors. theta energy: -63.170
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: 2, replica: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -847.986279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.986279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.986279 (E_RNA)
where:
Base-Base interactions energy: -575.215
where: short stacking energy: -274.715
Base-Backbone interact. energy: -0.221
local terms energy: -272.549832
where:
bonds (distance) C4'-P energy: -43.818
bonds (distance) P-C4' energy: -45.371
flat angles C4'-P-C4' energy: -56.140
flat angles P-C4'-P energy: -44.290
tors. eta vs tors. theta energy: -82.931
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: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -806.002373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.002373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.002373 (E_RNA)
where:
Base-Base interactions energy: -573.810
where: short stacking energy: -228.918
Base-Backbone interact. energy: 1.753
local terms energy: -233.945625
where:
bonds (distance) C4'-P energy: -38.800
bonds (distance) P-C4' energy: -42.566
flat angles C4'-P-C4' energy: -55.789
flat angles P-C4'-P energy: -35.467
tors. eta vs tors. theta energy: -61.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -744.250646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.250646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.250646 (E_RNA)
where:
Base-Base interactions energy: -514.676
where: short stacking energy: -201.942
Base-Backbone interact. energy: -0.790
local terms energy: -228.784456
where:
bonds (distance) C4'-P energy: -48.721
bonds (distance) P-C4' energy: -41.152
flat angles C4'-P-C4' energy: -47.610
flat angles P-C4'-P energy: -34.713
tors. eta vs tors. theta energy: -56.589
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: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -754.918736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.918736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.918736 (E_RNA)
where:
Base-Base interactions energy: -512.507
where: short stacking energy: -216.676
Base-Backbone interact. energy: -0.259
local terms energy: -242.152514
where:
bonds (distance) C4'-P energy: -46.956
bonds (distance) P-C4' energy: -47.130
flat angles C4'-P-C4' energy: -52.423
flat angles P-C4'-P energy: -31.702
tors. eta vs tors. theta energy: -63.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -644.480349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.480349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.480349 (E_RNA)
where:
Base-Base interactions energy: -444.946
where: short stacking energy: -176.462
Base-Backbone interact. energy: 1.336
local terms energy: -200.870793
where:
bonds (distance) C4'-P energy: -43.759
bonds (distance) P-C4' energy: -47.217
flat angles C4'-P-C4' energy: -44.069
flat angles P-C4'-P energy: -26.193
tors. eta vs tors. theta energy: -39.632
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: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -595.950278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.950278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.950278 (E_RNA)
where:
Base-Base interactions energy: -403.161
where: short stacking energy: -178.472
Base-Backbone interact. energy: -2.582
local terms energy: -190.207497
where:
bonds (distance) C4'-P energy: -38.791
bonds (distance) P-C4' energy: -40.880
flat angles C4'-P-C4' energy: -48.657
flat angles P-C4'-P energy: -24.521
tors. eta vs tors. theta energy: -37.359
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: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -484.454840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.454840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.454840 (E_RNA)
where:
Base-Base interactions energy: -296.468
where: short stacking energy: -148.445
Base-Backbone interact. energy: -0.340
local terms energy: -187.646728
where:
bonds (distance) C4'-P energy: -26.599
bonds (distance) P-C4' energy: -45.800
flat angles C4'-P-C4' energy: -45.211
flat angles P-C4'-P energy: -36.285
tors. eta vs tors. theta energy: -33.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -514.878578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.878578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.878578 (E_RNA)
where:
Base-Base interactions energy: -338.821
where: short stacking energy: -143.421
Base-Backbone interact. energy: -2.418
local terms energy: -173.640025
where:
bonds (distance) C4'-P energy: -31.926
bonds (distance) P-C4' energy: -41.556
flat angles C4'-P-C4' energy: -40.769
flat angles P-C4'-P energy: -24.891
tors. eta vs tors. theta energy: -34.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -213.532363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.532363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.532363 (E_RNA)
where:
Base-Base interactions energy: -79.229
where: short stacking energy: -68.811
Base-Backbone interact. energy: -0.474
local terms energy: -133.828992
where:
bonds (distance) C4'-P energy: -39.208
bonds (distance) P-C4' energy: -38.524
flat angles C4'-P-C4' energy: -38.613
flat angles P-C4'-P energy: -21.576
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: 333
Temperature: 0.900000
Total energy: -859.147262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.147262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.147262 (E_RNA)
where:
Base-Base interactions energy: -606.335
where: short stacking energy: -239.826
Base-Backbone interact. energy: -1.172
local terms energy: -251.640215
where:
bonds (distance) C4'-P energy: -47.947
bonds (distance) P-C4' energy: -59.160
flat angles C4'-P-C4' energy: -53.974
flat angles P-C4'-P energy: -32.091
tors. eta vs tors. theta energy: -58.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -829.332157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.332157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.332157 (E_RNA)
where:
Base-Base interactions energy: -558.581
where: short stacking energy: -256.873
Base-Backbone interact. energy: -0.950
local terms energy: -269.801548
where:
bonds (distance) C4'-P energy: -47.840
bonds (distance) P-C4' energy: -53.637
flat angles C4'-P-C4' energy: -53.544
flat angles P-C4'-P energy: -34.896
tors. eta vs tors. theta energy: -79.885
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: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -801.690706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.690706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.690706 (E_RNA)
where:
Base-Base interactions energy: -569.615
where: short stacking energy: -228.172
Base-Backbone interact. energy: -0.384
local terms energy: -231.691659
where:
bonds (distance) C4'-P energy: -43.540
bonds (distance) P-C4' energy: -49.570
flat angles C4'-P-C4' energy: -51.139
flat angles P-C4'-P energy: -30.685
tors. eta vs tors. theta energy: -56.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -739.925018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.925018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.925018 (E_RNA)
where:
Base-Base interactions energy: -502.234
where: short stacking energy: -228.503
Base-Backbone interact. energy: -1.003
local terms energy: -236.687830
where:
bonds (distance) C4'-P energy: -47.828
bonds (distance) P-C4' energy: -43.475
flat angles C4'-P-C4' energy: -50.901
flat angles P-C4'-P energy: -35.171
tors. eta vs tors. theta energy: -59.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -751.802611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.802611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.802611 (E_RNA)
where:
Base-Base interactions energy: -526.335
where: short stacking energy: -202.639
Base-Backbone interact. energy: -0.213
local terms energy: -225.255231
where:
bonds (distance) C4'-P energy: -42.029
bonds (distance) P-C4' energy: -42.778
flat angles C4'-P-C4' energy: -47.417
flat angles P-C4'-P energy: -36.825
tors. eta vs tors. theta energy: -56.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -623.851472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.851472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.851472 (E_RNA)
where:
Base-Base interactions energy: -421.981
where: short stacking energy: -171.985
Base-Backbone interact. energy: -1.119
local terms energy: -200.751763
where:
bonds (distance) C4'-P energy: -42.381
bonds (distance) P-C4' energy: -41.315
flat angles C4'-P-C4' energy: -44.335
flat angles P-C4'-P energy: -28.301
tors. eta vs tors. theta energy: -44.421
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: 9
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -597.366936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.366936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.366936 (E_RNA)
where:
Base-Base interactions energy: -399.333
where: short stacking energy: -168.766
Base-Backbone interact. energy: -0.404
local terms energy: -197.629903
where:
bonds (distance) C4'-P energy: -43.330
bonds (distance) P-C4' energy: -46.514
flat angles C4'-P-C4' energy: -42.825
flat angles P-C4'-P energy: -28.849
tors. eta vs tors. theta energy: -36.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -510.051313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.051313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.051313 (E_RNA)
where:
Base-Base interactions energy: -316.261
where: short stacking energy: -136.061
Base-Backbone interact. energy: -0.941
local terms energy: -192.849666
where:
bonds (distance) C4'-P energy: -36.569
bonds (distance) P-C4' energy: -43.700
flat angles C4'-P-C4' energy: -47.273
flat angles P-C4'-P energy: -32.386
tors. eta vs tors. theta energy: -32.922
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: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -461.386777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.386777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.386777 (E_RNA)
where:
Base-Base interactions energy: -277.488
where: short stacking energy: -127.720
Base-Backbone interact. energy: 3.243
local terms energy: -187.141789
where:
bonds (distance) C4'-P energy: -33.151
bonds (distance) P-C4' energy: -53.351
flat angles C4'-P-C4' energy: -42.389
flat angles P-C4'-P energy: -34.793
tors. eta vs tors. theta energy: -23.458
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: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -233.548822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.548822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.548822 (E_RNA)
where:
Base-Base interactions energy: -105.318
where: short stacking energy: -75.677
Base-Backbone interact. energy: 1.461
local terms energy: -129.692019
where:
bonds (distance) C4'-P energy: -32.029
bonds (distance) P-C4' energy: -38.706
flat angles C4'-P-C4' energy: -34.033
flat angles P-C4'-P energy: -29.164
tors. eta vs tors. theta energy: 4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -867.897869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.897869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.897869 (E_RNA)
where:
Base-Base interactions energy: -613.562
where: short stacking energy: -242.165
Base-Backbone interact. energy: -2.036
local terms energy: -252.300378
where:
bonds (distance) C4'-P energy: -44.709
bonds (distance) P-C4' energy: -49.990
flat angles C4'-P-C4' energy: -54.997
flat angles P-C4'-P energy: -40.896
tors. eta vs tors. theta energy: -61.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -797.253070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.253070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.253070 (E_RNA)
where:
Base-Base interactions energy: -539.264
where: short stacking energy: -240.328
Base-Backbone interact. energy: -1.072
local terms energy: -256.917552
where:
bonds (distance) C4'-P energy: -51.890
bonds (distance) P-C4' energy: -51.913
flat angles C4'-P-C4' energy: -48.653
flat angles P-C4'-P energy: -40.299
tors. eta vs tors. theta energy: -64.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -829.155738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.155738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.155738 (E_RNA)
where:
Base-Base interactions energy: -584.243
where: short stacking energy: -240.542
Base-Backbone interact. energy: 0.283
local terms energy: -245.195850
where:
bonds (distance) C4'-P energy: -43.549
bonds (distance) P-C4' energy: -51.421
flat angles C4'-P-C4' energy: -56.412
flat angles P-C4'-P energy: -32.105
tors. eta vs tors. theta energy: -61.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -709.166378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.166378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.166378 (E_RNA)
where:
Base-Base interactions energy: -469.699
where: short stacking energy: -199.331
Base-Backbone interact. energy: -1.482
local terms energy: -237.985403
where:
bonds (distance) C4'-P energy: -49.127
bonds (distance) P-C4' energy: -47.611
flat angles C4'-P-C4' energy: -58.535
flat angles P-C4'-P energy: -31.545
tors. eta vs tors. theta energy: -51.168
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: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -724.939934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.939934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.939934 (E_RNA)
where:
Base-Base interactions energy: -493.723
where: short stacking energy: -203.465
Base-Backbone interact. energy: -0.818
local terms energy: -230.399163
where:
bonds (distance) C4'-P energy: -37.390
bonds (distance) P-C4' energy: -45.964
flat angles C4'-P-C4' energy: -52.457
flat angles P-C4'-P energy: -33.533
tors. eta vs tors. theta energy: -61.056
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: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -610.105404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.105404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.105404 (E_RNA)
where:
Base-Base interactions energy: -427.088
where: short stacking energy: -159.086
Base-Backbone interact. energy: -0.478
local terms energy: -182.539488
where:
bonds (distance) C4'-P energy: -34.157
bonds (distance) P-C4' energy: -40.141
flat angles C4'-P-C4' energy: -55.337
flat angles P-C4'-P energy: -20.127
tors. eta vs tors. theta energy: -32.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -593.486587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.486587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.486587 (E_RNA)
where:
Base-Base interactions energy: -396.484
where: short stacking energy: -177.060
Base-Backbone interact. energy: -0.543
local terms energy: -196.459307
where:
bonds (distance) C4'-P energy: -35.563
bonds (distance) P-C4' energy: -40.946
flat angles C4'-P-C4' energy: -43.376
flat angles P-C4'-P energy: -32.947
tors. eta vs tors. theta energy: -43.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -498.733603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.733603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.733603 (E_RNA)
where:
Base-Base interactions energy: -319.977
where: short stacking energy: -139.655
Base-Backbone interact. energy: -1.590
local terms energy: -177.166871
where:
bonds (distance) C4'-P energy: -41.014
bonds (distance) P-C4' energy: -42.329
flat angles C4'-P-C4' energy: -40.207
flat angles P-C4'-P energy: -26.143
tors. eta vs tors. theta energy: -27.472
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: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -449.074337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.074337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.074337 (E_RNA)
where:
Base-Base interactions energy: -268.167
where: short stacking energy: -131.469
Base-Backbone interact. energy: 0.499
local terms energy: -181.405916
where:
bonds (distance) C4'-P energy: -43.281
bonds (distance) P-C4' energy: -40.349
flat angles C4'-P-C4' energy: -45.566
flat angles P-C4'-P energy: -25.113
tors. eta vs tors. theta energy: -27.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -249.787307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.787307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.787307 (E_RNA)
where:
Base-Base interactions energy: -109.177
where: short stacking energy: -83.379
Base-Backbone interact. energy: -0.413
local terms energy: -140.197075
where:
bonds (distance) C4'-P energy: -34.216
bonds (distance) P-C4' energy: -40.268
flat angles C4'-P-C4' energy: -39.882
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: -8.261
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: 1, replica: 10
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -853.547671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.547671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.547671 (E_RNA)
where:
Base-Base interactions energy: -600.848
where: short stacking energy: -250.169
Base-Backbone interact. energy: -0.741
local terms energy: -251.959244
where:
bonds (distance) C4'-P energy: -49.973
bonds (distance) P-C4' energy: -50.079
flat angles C4'-P-C4' energy: -58.733
flat angles P-C4'-P energy: -32.308
tors. eta vs tors. theta energy: -60.865
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: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -822.939216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.939216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.939216 (E_RNA)
where:
Base-Base interactions energy: -574.135
where: short stacking energy: -230.997
Base-Backbone interact. energy: 2.440
local terms energy: -251.244594
where:
bonds (distance) C4'-P energy: -47.190
bonds (distance) P-C4' energy: -49.223
flat angles C4'-P-C4' energy: -57.460
flat angles P-C4'-P energy: -37.445
tors. eta vs tors. theta energy: -59.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -782.921756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.921756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.921756 (E_RNA)
where:
Base-Base interactions energy: -538.795
where: short stacking energy: -243.651
Base-Backbone interact. energy: -0.668
local terms energy: -243.458702
where:
bonds (distance) C4'-P energy: -48.670
bonds (distance) P-C4' energy: -46.545
flat angles C4'-P-C4' energy: -49.344
flat angles P-C4'-P energy: -34.123
tors. eta vs tors. theta energy: -64.776
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: 4, replica: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -762.679098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.679098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.679098 (E_RNA)
where:
Base-Base interactions energy: -526.443
where: short stacking energy: -219.917
Base-Backbone interact. energy: -2.129
local terms energy: -234.106549
where:
bonds (distance) C4'-P energy: -51.405
bonds (distance) P-C4' energy: -46.174
flat angles C4'-P-C4' energy: -49.285
flat angles P-C4'-P energy: -31.048
tors. eta vs tors. theta energy: -56.195
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: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -718.054196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.054196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.054196 (E_RNA)
where:
Base-Base interactions energy: -485.225
where: short stacking energy: -222.056
Base-Backbone interact. energy: -2.254
local terms energy: -230.575576
where:
bonds (distance) C4'-P energy: -45.732
bonds (distance) P-C4' energy: -43.319
flat angles C4'-P-C4' energy: -47.289
flat angles P-C4'-P energy: -31.937
tors. eta vs tors. theta energy: -62.299
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: 8
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -617.943297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.943297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.943297 (E_RNA)
where:
Base-Base interactions energy: -421.423
where: short stacking energy: -174.812
Base-Backbone interact. energy: -0.467
local terms energy: -196.053299
where:
bonds (distance) C4'-P energy: -32.826
bonds (distance) P-C4' energy: -44.013
flat angles C4'-P-C4' energy: -43.591
flat angles P-C4'-P energy: -26.501
tors. eta vs tors. theta energy: -49.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -611.125400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.125400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.125400 (E_RNA)
where:
Base-Base interactions energy: -404.533
where: short stacking energy: -198.223
Base-Backbone interact. energy: -0.138
local terms energy: -206.454272
where:
bonds (distance) C4'-P energy: -39.743
bonds (distance) P-C4' energy: -40.877
flat angles C4'-P-C4' energy: -46.148
flat angles P-C4'-P energy: -32.862
tors. eta vs tors. theta energy: -46.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -490.230403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.230403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.230403 (E_RNA)
where:
Base-Base interactions energy: -297.385
where: short stacking energy: -156.910
Base-Backbone interact. energy: -0.383
local terms energy: -192.463143
where:
bonds (distance) C4'-P energy: -37.483
bonds (distance) P-C4' energy: -42.530
flat angles C4'-P-C4' energy: -47.639
flat angles P-C4'-P energy: -30.508
tors. eta vs tors. theta energy: -34.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -489.197747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.197747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.197747 (E_RNA)
where:
Base-Base interactions energy: -314.824
where: short stacking energy: -135.217
Base-Backbone interact. energy: -1.204
local terms energy: -173.169959
where:
bonds (distance) C4'-P energy: -40.098
bonds (distance) P-C4' energy: -35.190
flat angles C4'-P-C4' energy: -44.111
flat angles P-C4'-P energy: -22.607
tors. eta vs tors. theta energy: -31.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -265.537832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.537832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.537832 (E_RNA)
where:
Base-Base interactions energy: -113.433
where: short stacking energy: -76.806
Base-Backbone interact. energy: 3.623
local terms energy: -155.727813
where:
bonds (distance) C4'-P energy: -34.173
bonds (distance) P-C4' energy: -49.727
flat angles C4'-P-C4' energy: -36.646
flat angles P-C4'-P energy: -24.062
tors. eta vs tors. theta energy: -11.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -866.072838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.072838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.072838 (E_RNA)
where:
Base-Base interactions energy: -605.915
where: short stacking energy: -250.620
Base-Backbone interact. energy: -1.955
local terms energy: -258.202773
where:
bonds (distance) C4'-P energy: -48.782
bonds (distance) P-C4' energy: -54.871
flat angles C4'-P-C4' energy: -55.328
flat angles P-C4'-P energy: -35.694
tors. eta vs tors. theta energy: -63.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -833.590277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.590277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.590277 (E_RNA)
where:
Base-Base interactions energy: -584.555
where: short stacking energy: -233.836
Base-Backbone interact. energy: -0.453
local terms energy: -248.582586
where:
bonds (distance) C4'-P energy: -48.867
bonds (distance) P-C4' energy: -53.415
flat angles C4'-P-C4' energy: -50.092
flat angles P-C4'-P energy: -31.228
tors. eta vs tors. theta energy: -64.980
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: 6
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -812.771902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.771902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.771902 (E_RNA)
where:
Base-Base interactions energy: -566.925
where: short stacking energy: -251.448
Base-Backbone interact. energy: -1.480
local terms energy: -244.367790
where:
bonds (distance) C4'-P energy: -49.180
bonds (distance) P-C4' energy: -41.143
flat angles C4'-P-C4' energy: -49.999
flat angles P-C4'-P energy: -35.892
tors. eta vs tors. theta energy: -68.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -746.987302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.987302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.987302 (E_RNA)
where:
Base-Base interactions energy: -517.895
where: short stacking energy: -208.387
Base-Backbone interact. energy: -1.129
local terms energy: -227.963561
where:
bonds (distance) C4'-P energy: -42.672
bonds (distance) P-C4' energy: -49.328
flat angles C4'-P-C4' energy: -54.371
flat angles P-C4'-P energy: -24.827
tors. eta vs tors. theta energy: -56.766
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: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -708.383446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.383446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.383446 (E_RNA)
where:
Base-Base interactions energy: -479.623
where: short stacking energy: -194.930
Base-Backbone interact. energy: -1.339
local terms energy: -227.421503
where:
bonds (distance) C4'-P energy: -44.544
bonds (distance) P-C4' energy: -44.891
flat angles C4'-P-C4' energy: -43.923
flat angles P-C4'-P energy: -37.223
tors. eta vs tors. theta energy: -56.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -616.736593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.736593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.736593 (E_RNA)
where:
Base-Base interactions energy: -420.851
where: short stacking energy: -165.749
Base-Backbone interact. energy: -0.457
local terms energy: -195.428748
where:
bonds (distance) C4'-P energy: -46.721
bonds (distance) P-C4' energy: -36.135
flat angles C4'-P-C4' energy: -43.694
flat angles P-C4'-P energy: -37.361
tors. eta vs tors. theta energy: -31.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -576.676673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.676673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.676673 (E_RNA)
where:
Base-Base interactions energy: -387.182
where: short stacking energy: -162.457
Base-Backbone interact. energy: 0.217
local terms energy: -189.711872
where:
bonds (distance) C4'-P energy: -35.688
bonds (distance) P-C4' energy: -50.683
flat angles C4'-P-C4' energy: -50.061
flat angles P-C4'-P energy: -23.565
tors. eta vs tors. theta energy: -29.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -487.581223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.581223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.581223 (E_RNA)
where:
Base-Base interactions energy: -298.218
where: short stacking energy: -139.065
Base-Backbone interact. energy: -0.523
local terms energy: -188.840944
where:
bonds (distance) C4'-P energy: -40.415
bonds (distance) P-C4' energy: -47.379
flat angles C4'-P-C4' energy: -43.390
flat angles P-C4'-P energy: -29.396
tors. eta vs tors. theta energy: -28.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -438.556666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.556666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.556666 (E_RNA)
where:
Base-Base interactions energy: -275.549
where: short stacking energy: -116.424
Base-Backbone interact. energy: 0.643
local terms energy: -163.650090
where:
bonds (distance) C4'-P energy: -40.970
bonds (distance) P-C4' energy: -30.490
flat angles C4'-P-C4' energy: -39.308
flat angles P-C4'-P energy: -28.071
tors. eta vs tors. theta energy: -24.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -225.870725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.870725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.870725 (E_RNA)
where:
Base-Base interactions energy: -77.202
where: short stacking energy: -63.289
Base-Backbone interact. energy: -0.778
local terms energy: -147.890999
where:
bonds (distance) C4'-P energy: -42.318
bonds (distance) P-C4' energy: -39.252
flat angles C4'-P-C4' energy: -38.750
flat angles P-C4'-P energy: -27.742
tors. eta vs tors. theta energy: 0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -854.515663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.515663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.515663 (E_RNA)
where:
Base-Base interactions energy: -600.056
where: short stacking energy: -241.622
Base-Backbone interact. energy: 2.721
local terms energy: -257.180778
where:
bonds (distance) C4'-P energy: -47.924
bonds (distance) P-C4' energy: -47.975
flat angles C4'-P-C4' energy: -60.050
flat angles P-C4'-P energy: -39.179
tors. eta vs tors. theta energy: -62.053
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: 337
Temperature: 0.950000
Total energy: -815.275902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.275902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.275902 (E_RNA)
where:
Base-Base interactions energy: -567.766
where: short stacking energy: -235.259
Base-Backbone interact. energy: -1.280
local terms energy: -246.230156
where:
bonds (distance) C4'-P energy: -45.810
bonds (distance) P-C4' energy: -47.384
flat angles C4'-P-C4' energy: -55.408
flat angles P-C4'-P energy: -33.430
tors. eta vs tors. theta energy: -64.198
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: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -814.052005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.052005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.052005 (E_RNA)
where:
Base-Base interactions energy: -585.796
where: short stacking energy: -240.002
Base-Backbone interact. energy: 4.536
local terms energy: -232.791825
where:
bonds (distance) C4'-P energy: -44.432
bonds (distance) P-C4' energy: -46.013
flat angles C4'-P-C4' energy: -46.197
flat angles P-C4'-P energy: -28.619
tors. eta vs tors. theta energy: -67.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -750.656931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.656931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.656931 (E_RNA)
where:
Base-Base interactions energy: -530.966
where: short stacking energy: -220.180
Base-Backbone interact. energy: -1.278
local terms energy: -218.412951
where:
bonds (distance) C4'-P energy: -33.558
bonds (distance) P-C4' energy: -40.907
flat angles C4'-P-C4' energy: -48.913
flat angles P-C4'-P energy: -36.870
tors. eta vs tors. theta energy: -58.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -687.899575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.899575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.899575 (E_RNA)
where:
Base-Base interactions energy: -477.216
where: short stacking energy: -197.412
Base-Backbone interact. energy: -1.798
local terms energy: -208.885426
where:
bonds (distance) C4'-P energy: -44.934
bonds (distance) P-C4' energy: -41.671
flat angles C4'-P-C4' energy: -52.401
flat angles P-C4'-P energy: -29.924
tors. eta vs tors. theta energy: -39.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -635.240840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.240840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.240840 (E_RNA)
where:
Base-Base interactions energy: -428.868
where: short stacking energy: -187.381
Base-Backbone interact. energy: -0.091
local terms energy: -206.282100
where:
bonds (distance) C4'-P energy: -41.237
bonds (distance) P-C4' energy: -45.732
flat angles C4'-P-C4' energy: -46.857
flat angles P-C4'-P energy: -26.384
tors. eta vs tors. theta energy: -46.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -604.128675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.128675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.128675 (E_RNA)
where:
Base-Base interactions energy: -397.023
where: short stacking energy: -189.532
Base-Backbone interact. energy: 0.331
local terms energy: -207.436833
where:
bonds (distance) C4'-P energy: -38.484
bonds (distance) P-C4' energy: -38.486
flat angles C4'-P-C4' energy: -46.231
flat angles P-C4'-P energy: -32.953
tors. eta vs tors. theta energy: -51.282
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: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -486.490861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.490861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.490861 (E_RNA)
where:
Base-Base interactions energy: -293.320
where: short stacking energy: -125.434
Base-Backbone interact. energy: -1.454
local terms energy: -191.717057
where:
bonds (distance) C4'-P energy: -39.294
bonds (distance) P-C4' energy: -45.155
flat angles C4'-P-C4' energy: -41.626
flat angles P-C4'-P energy: -32.348
tors. eta vs tors. theta energy: -33.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -464.277994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.277994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.277994 (E_RNA)
where:
Base-Base interactions energy: -293.252
where: short stacking energy: -122.021
Base-Backbone interact. energy: -1.428
local terms energy: -169.597851
where:
bonds (distance) C4'-P energy: -44.957
bonds (distance) P-C4' energy: -39.957
flat angles C4'-P-C4' energy: -41.741
flat angles P-C4'-P energy: -20.698
tors. eta vs tors. theta energy: -22.244
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: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -227.391730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.391730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.391730 (E_RNA)
where:
Base-Base interactions energy: -98.371
where: short stacking energy: -80.548
Base-Backbone interact. energy: 0.170
local terms energy: -129.191198
where:
bonds (distance) C4'-P energy: -40.550
bonds (distance) P-C4' energy: -32.533
flat angles C4'-P-C4' energy: -25.298
flat angles P-C4'-P energy: -29.486
tors. eta vs tors. theta energy: -1.324
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: 10
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -854.387219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.387219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.387219 (E_RNA)
where:
Base-Base interactions energy: -604.679
where: short stacking energy: -245.097
Base-Backbone interact. energy: -0.603
local terms energy: -249.104789
where:
bonds (distance) C4'-P energy: -43.588
bonds (distance) P-C4' energy: -47.908
flat angles C4'-P-C4' energy: -58.246
flat angles P-C4'-P energy: -42.036
tors. eta vs tors. theta energy: -57.328
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: 6
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -813.292840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.292840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.292840 (E_RNA)
where:
Base-Base interactions energy: -556.940
where: short stacking energy: -225.524
Base-Backbone interact. energy: -1.331
local terms energy: -255.021354
where:
bonds (distance) C4'-P energy: -50.450
bonds (distance) P-C4' energy: -39.449
flat angles C4'-P-C4' energy: -57.051
flat angles P-C4'-P energy: -38.471
tors. eta vs tors. theta energy: -69.601
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: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -803.536941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.536941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.536941 (E_RNA)
where:
Base-Base interactions energy: -573.053
where: short stacking energy: -237.158
Base-Backbone interact. energy: 1.207
local terms energy: -231.691017
where:
bonds (distance) C4'-P energy: -44.628
bonds (distance) P-C4' energy: -50.061
flat angles C4'-P-C4' energy: -51.120
flat angles P-C4'-P energy: -26.580
tors. eta vs tors. theta energy: -59.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -761.459764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.459764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.459764 (E_RNA)
where:
Base-Base interactions energy: -521.547
where: short stacking energy: -240.415
Base-Backbone interact. energy: -0.555
local terms energy: -239.358296
where:
bonds (distance) C4'-P energy: -45.949
bonds (distance) P-C4' energy: -42.403
flat angles C4'-P-C4' energy: -50.920
flat angles P-C4'-P energy: -30.437
tors. eta vs tors. theta energy: -69.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -709.547174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.547174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.547174 (E_RNA)
where:
Base-Base interactions energy: -476.967
where: short stacking energy: -210.919
Base-Backbone interact. energy: -0.211
local terms energy: -232.368725
where:
bonds (distance) C4'-P energy: -39.469
bonds (distance) P-C4' energy: -45.562
flat angles C4'-P-C4' energy: -52.952
flat angles P-C4'-P energy: -35.672
tors. eta vs tors. theta energy: -58.714
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: 8
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -645.027293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.027293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.027293 (E_RNA)
where:
Base-Base interactions energy: -439.379
where: short stacking energy: -190.059
Base-Backbone interact. energy: -0.930
local terms energy: -204.718200
where:
bonds (distance) C4'-P energy: -31.221
bonds (distance) P-C4' energy: -45.769
flat angles C4'-P-C4' energy: -49.134
flat angles P-C4'-P energy: -31.150
tors. eta vs tors. theta energy: -47.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -611.266238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.266238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.266238 (E_RNA)
where:
Base-Base interactions energy: -406.576
where: short stacking energy: -189.454
Base-Backbone interact. energy: -0.669
local terms energy: -204.020858
where:
bonds (distance) C4'-P energy: -43.245
bonds (distance) P-C4' energy: -38.924
flat angles C4'-P-C4' energy: -45.316
flat angles P-C4'-P energy: -28.883
tors. eta vs tors. theta energy: -47.652
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: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -491.999054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.999054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.999054 (E_RNA)
where:
Base-Base interactions energy: -319.063
where: short stacking energy: -173.850
Base-Backbone interact. energy: -0.921
local terms energy: -172.015165
where:
bonds (distance) C4'-P energy: -36.191
bonds (distance) P-C4' energy: -28.815
flat angles C4'-P-C4' energy: -45.493
flat angles P-C4'-P energy: -23.623
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: 9, replica: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -446.632106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.632106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.632106 (E_RNA)
where:
Base-Base interactions energy: -290.180
where: short stacking energy: -125.582
Base-Backbone interact. energy: 0.443
local terms energy: -156.894317
where:
bonds (distance) C4'-P energy: -38.613
bonds (distance) P-C4' energy: -39.096
flat angles C4'-P-C4' energy: -41.102
flat angles P-C4'-P energy: -19.179
tors. eta vs tors. theta energy: -18.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -214.535546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.535546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.535546 (E_RNA)
where:
Base-Base interactions energy: -69.422
where: short stacking energy: -63.786
Base-Backbone interact. energy: -0.487
local terms energy: -144.626040
where:
bonds (distance) C4'-P energy: -40.229
bonds (distance) P-C4' energy: -47.029
flat angles C4'-P-C4' energy: -32.217
flat angles P-C4'-P energy: -19.031
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -849.696869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.696869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.696869 (E_RNA)
where:
Base-Base interactions energy: -603.694
where: short stacking energy: -245.439
Base-Backbone interact. energy: -0.288
local terms energy: -245.715202
where:
bonds (distance) C4'-P energy: -51.881
bonds (distance) P-C4' energy: -45.834
flat angles C4'-P-C4' energy: -55.595
flat angles P-C4'-P energy: -31.810
tors. eta vs tors. theta energy: -60.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -826.364789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.364789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.364789 (E_RNA)
where:
Base-Base interactions energy: -585.720
where: short stacking energy: -236.982
Base-Backbone interact. energy: -0.649
local terms energy: -239.995675
where:
bonds (distance) C4'-P energy: -44.146
bonds (distance) P-C4' energy: -51.729
flat angles C4'-P-C4' energy: -50.313
flat angles P-C4'-P energy: -31.787
tors. eta vs tors. theta energy: -62.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -814.669762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.669762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.669762 (E_RNA)
where:
Base-Base interactions energy: -553.562
where: short stacking energy: -241.528
Base-Backbone interact. energy: -0.069
local terms energy: -261.038903
where:
bonds (distance) C4'-P energy: -55.806
bonds (distance) P-C4' energy: -41.686
flat angles C4'-P-C4' energy: -52.255
flat angles P-C4'-P energy: -38.648
tors. eta vs tors. theta energy: -72.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -758.098814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.098814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.098814 (E_RNA)
where:
Base-Base interactions energy: -513.990
where: short stacking energy: -217.916
Base-Backbone interact. energy: 0.913
local terms energy: -245.022376
where:
bonds (distance) C4'-P energy: -46.156
bonds (distance) P-C4' energy: -43.687
flat angles C4'-P-C4' energy: -54.237
flat angles P-C4'-P energy: -39.721
tors. eta vs tors. theta energy: -61.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -697.953638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.953638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.953638 (E_RNA)
where:
Base-Base interactions energy: -476.641
where: short stacking energy: -210.063
Base-Backbone interact. energy: 0.971
local terms energy: -222.283214
where:
bonds (distance) C4'-P energy: -45.061
bonds (distance) P-C4' energy: -42.339
flat angles C4'-P-C4' energy: -50.157
flat angles P-C4'-P energy: -32.696
tors. eta vs tors. theta energy: -52.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -644.004886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.004886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.004886 (E_RNA)
where:
Base-Base interactions energy: -447.729
where: short stacking energy: -183.519
Base-Backbone interact. energy: -1.935
local terms energy: -194.340741
where:
bonds (distance) C4'-P energy: -43.771
bonds (distance) P-C4' energy: -41.469
flat angles C4'-P-C4' energy: -52.223
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -41.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -610.637713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.637713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.637713 (E_RNA)
where:
Base-Base interactions energy: -397.935
where: short stacking energy: -187.568
Base-Backbone interact. energy: -0.871
local terms energy: -211.831667
where:
bonds (distance) C4'-P energy: -41.206
bonds (distance) P-C4' energy: -54.751
flat angles C4'-P-C4' energy: -33.494
flat angles P-C4'-P energy: -33.915
tors. eta vs tors. theta energy: -48.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -476.598565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.598565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.598565 (E_RNA)
where:
Base-Base interactions energy: -292.153
where: short stacking energy: -130.077
Base-Backbone interact. energy: -0.007
local terms energy: -184.438489
where:
bonds (distance) C4'-P energy: -50.354
bonds (distance) P-C4' energy: -42.867
flat angles C4'-P-C4' energy: -44.806
flat angles P-C4'-P energy: -22.275
tors. eta vs tors. theta energy: -24.137
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: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -438.652146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.652146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.652146 (E_RNA)
where:
Base-Base interactions energy: -272.461
where: short stacking energy: -110.248
Base-Backbone interact. energy: -0.565
local terms energy: -165.625468
where:
bonds (distance) C4'-P energy: -40.041
bonds (distance) P-C4' energy: -39.206
flat angles C4'-P-C4' energy: -42.578
flat angles P-C4'-P energy: -31.072
tors. eta vs tors. theta energy: -12.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -208.823709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.823709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.823709 (E_RNA)
where:
Base-Base interactions energy: -82.116
where: short stacking energy: -68.160
Base-Backbone interact. energy: -1.527
local terms energy: -125.180487
where:
bonds (distance) C4'-P energy: -29.253
bonds (distance) P-C4' energy: -47.745
flat angles C4'-P-C4' energy: -37.216
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: 4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -846.488267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.488267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.488267 (E_RNA)
where:
Base-Base interactions energy: -605.473
where: short stacking energy: -232.955
Base-Backbone interact. energy: 0.222
local terms energy: -241.237114
where:
bonds (distance) C4'-P energy: -42.809
bonds (distance) P-C4' energy: -55.309
flat angles C4'-P-C4' energy: -49.667
flat angles P-C4'-P energy: -37.433
tors. eta vs tors. theta energy: -56.020
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: 2, replica: 10
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -828.254745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.254745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.254745 (E_RNA)
where:
Base-Base interactions energy: -587.793
where: short stacking energy: -239.455
Base-Backbone interact. energy: -1.939
local terms energy: -238.522159
where:
bonds (distance) C4'-P energy: -38.557
bonds (distance) P-C4' energy: -44.481
flat angles C4'-P-C4' energy: -53.114
flat angles P-C4'-P energy: -39.606
tors. eta vs tors. theta energy: -62.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -812.092987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.092987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.092987 (E_RNA)
where:
Base-Base interactions energy: -573.359
where: short stacking energy: -236.282
Base-Backbone interact. energy: -1.501
local terms energy: -237.233006
where:
bonds (distance) C4'-P energy: -36.367
bonds (distance) P-C4' energy: -47.674
flat angles C4'-P-C4' energy: -48.836
flat angles P-C4'-P energy: -29.272
tors. eta vs tors. theta energy: -75.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -762.266728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.266728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.266728 (E_RNA)
where:
Base-Base interactions energy: -517.918
where: short stacking energy: -240.444
Base-Backbone interact. energy: -0.612
local terms energy: -243.737552
where:
bonds (distance) C4'-P energy: -49.629
bonds (distance) P-C4' energy: -49.731
flat angles C4'-P-C4' energy: -46.359
flat angles P-C4'-P energy: -35.105
tors. eta vs tors. theta energy: -62.913
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: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -677.578578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.578578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.578578 (E_RNA)
where:
Base-Base interactions energy: -459.064
where: short stacking energy: -193.734
Base-Backbone interact. energy: -1.606
local terms energy: -216.908469
where:
bonds (distance) C4'-P energy: -45.112
bonds (distance) P-C4' energy: -44.204
flat angles C4'-P-C4' energy: -51.978
flat angles P-C4'-P energy: -28.263
tors. eta vs tors. theta energy: -47.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -674.772373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.772373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.772373 (E_RNA)
where:
Base-Base interactions energy: -458.689
where: short stacking energy: -201.867
Base-Backbone interact. energy: -1.997
local terms energy: -214.086805
where:
bonds (distance) C4'-P energy: -45.901
bonds (distance) P-C4' energy: -43.145
flat angles C4'-P-C4' energy: -40.366
flat angles P-C4'-P energy: -29.814
tors. eta vs tors. theta energy: -54.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -522.643989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.643989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.643989 (E_RNA)
where:
Base-Base interactions energy: -323.524
where: short stacking energy: -161.698
Base-Backbone interact. energy: 0.261
local terms energy: -199.380766
where:
bonds (distance) C4'-P energy: -39.140
bonds (distance) P-C4' energy: -46.608
flat angles C4'-P-C4' energy: -48.144
flat angles P-C4'-P energy: -30.837
tors. eta vs tors. theta energy: -34.652
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: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -560.346798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.346798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.346798 (E_RNA)
where:
Base-Base interactions energy: -370.135
where: short stacking energy: -159.646
Base-Backbone interact. energy: -0.559
local terms energy: -189.652107
where:
bonds (distance) C4'-P energy: -43.049
bonds (distance) P-C4' energy: -42.934
flat angles C4'-P-C4' energy: -36.025
flat angles P-C4'-P energy: -26.938
tors. eta vs tors. theta energy: -40.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -458.410027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.410027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.410027 (E_RNA)
where:
Base-Base interactions energy: -278.652
where: short stacking energy: -116.351
Base-Backbone interact. energy: -2.856
local terms energy: -176.901308
where:
bonds (distance) C4'-P energy: -49.121
bonds (distance) P-C4' energy: -34.525
flat angles C4'-P-C4' energy: -37.689
flat angles P-C4'-P energy: -32.724
tors. eta vs tors. theta energy: -22.842
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: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -202.235472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.235472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.235472 (E_RNA)
where:
Base-Base interactions energy: -65.676
where: short stacking energy: -47.548
Base-Backbone interact. energy: 0.044
local terms energy: -136.603373
where:
bonds (distance) C4'-P energy: -35.975
bonds (distance) P-C4' energy: -48.049
flat angles C4'-P-C4' energy: -30.841
flat angles P-C4'-P energy: -23.616
tors. eta vs tors. theta energy: 1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -844.980579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.980579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.980579 (E_RNA)
where:
Base-Base interactions energy: -594.918
where: short stacking energy: -234.786
Base-Backbone interact. energy: 0.284
local terms energy: -250.346212
where:
bonds (distance) C4'-P energy: -45.089
bonds (distance) P-C4' energy: -47.796
flat angles C4'-P-C4' energy: -54.713
flat angles P-C4'-P energy: -43.981
tors. eta vs tors. theta energy: -58.768
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: 6
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -827.797195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.797195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.797195 (E_RNA)
where:
Base-Base interactions energy: -568.665
where: short stacking energy: -250.806
Base-Backbone interact. energy: -1.352
local terms energy: -257.780554
where:
bonds (distance) C4'-P energy: -46.345
bonds (distance) P-C4' energy: -43.619
flat angles C4'-P-C4' energy: -60.603
flat angles P-C4'-P energy: -39.091
tors. eta vs tors. theta energy: -68.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -833.087300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.087300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.087300 (E_RNA)
where:
Base-Base interactions energy: -572.639
where: short stacking energy: -248.208
Base-Backbone interact. energy: 0.635
local terms energy: -261.084107
where:
bonds (distance) C4'-P energy: -53.732
bonds (distance) P-C4' energy: -52.820
flat angles C4'-P-C4' energy: -52.706
flat angles P-C4'-P energy: -38.905
tors. eta vs tors. theta energy: -62.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -774.130608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.130608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.130608 (E_RNA)
where:
Base-Base interactions energy: -511.995
where: short stacking energy: -245.374
Base-Backbone interact. energy: -0.174
local terms energy: -261.961098
where:
bonds (distance) C4'-P energy: -44.432
bonds (distance) P-C4' energy: -51.065
flat angles C4'-P-C4' energy: -53.181
flat angles P-C4'-P energy: -35.297
tors. eta vs tors. theta energy: -77.985
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: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -706.314072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.314072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.314072 (E_RNA)
where:
Base-Base interactions energy: -488.994
where: short stacking energy: -218.976
Base-Backbone interact. energy: -1.611
local terms energy: -215.708863
where:
bonds (distance) C4'-P energy: -30.243
bonds (distance) P-C4' energy: -41.860
flat angles C4'-P-C4' energy: -50.362
flat angles P-C4'-P energy: -36.028
tors. eta vs tors. theta energy: -57.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -671.263853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.263853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.263853 (E_RNA)
where:
Base-Base interactions energy: -462.313
where: short stacking energy: -214.917
Base-Backbone interact. energy: 0.257
local terms energy: -209.207748
where:
bonds (distance) C4'-P energy: -32.666
bonds (distance) P-C4' energy: -38.868
flat angles C4'-P-C4' energy: -40.515
flat angles P-C4'-P energy: -37.706
tors. eta vs tors. theta energy: -59.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -526.852887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.852887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.852887 (E_RNA)
where:
Base-Base interactions energy: -339.432
where: short stacking energy: -162.466
Base-Backbone interact. energy: 2.104
local terms energy: -189.524991
where:
bonds (distance) C4'-P energy: -37.775
bonds (distance) P-C4' energy: -47.180
flat angles C4'-P-C4' energy: -43.502
flat angles P-C4'-P energy: -27.030
tors. eta vs tors. theta energy: -34.039
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: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -528.200897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.200897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.200897 (E_RNA)
where:
Base-Base interactions energy: -339.354
where: short stacking energy: -150.291
Base-Backbone interact. energy: -1.352
local terms energy: -187.494924
where:
bonds (distance) C4'-P energy: -44.451
bonds (distance) P-C4' energy: -49.308
flat angles C4'-P-C4' energy: -39.194
flat angles P-C4'-P energy: -19.168
tors. eta vs tors. theta energy: -35.374
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: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -441.166289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.166289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.166289 (E_RNA)
where:
Base-Base interactions energy: -278.370
where: short stacking energy: -122.154
Base-Backbone interact. energy: -2.284
local terms energy: -160.512717
where:
bonds (distance) C4'-P energy: -25.886
bonds (distance) P-C4' energy: -40.749
flat angles C4'-P-C4' energy: -52.031
flat angles P-C4'-P energy: -27.840
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -228.786357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.786357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.786357 (E_RNA)
where:
Base-Base interactions energy: -102.188
where: short stacking energy: -75.824
Base-Backbone interact. energy: 1.157
local terms energy: -127.754912
where:
bonds (distance) C4'-P energy: -34.865
bonds (distance) P-C4' energy: -36.849
flat angles C4'-P-C4' energy: -39.766
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -7.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -842.271533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.271533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.271533 (E_RNA)
where:
Base-Base interactions energy: -597.787
where: short stacking energy: -242.961
Base-Backbone interact. energy: 1.708
local terms energy: -246.192418
where:
bonds (distance) C4'-P energy: -51.529
bonds (distance) P-C4' energy: -42.074
flat angles C4'-P-C4' energy: -57.216
flat angles P-C4'-P energy: -31.521
tors. eta vs tors. theta energy: -63.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -815.324300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.324300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.324300 (E_RNA)
where:
Base-Base interactions energy: -556.706
where: short stacking energy: -246.528
Base-Backbone interact. energy: -1.648
local terms energy: -256.970038
where:
bonds (distance) C4'-P energy: -45.888
bonds (distance) P-C4' energy: -47.374
flat angles C4'-P-C4' energy: -56.271
flat angles P-C4'-P energy: -37.882
tors. eta vs tors. theta energy: -69.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -787.243910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.243910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.243910 (E_RNA)
where:
Base-Base interactions energy: -529.901
where: short stacking energy: -259.194
Base-Backbone interact. energy: 0.283
local terms energy: -257.625276
where:
bonds (distance) C4'-P energy: -50.618
bonds (distance) P-C4' energy: -47.645
flat angles C4'-P-C4' energy: -49.082
flat angles P-C4'-P energy: -39.141
tors. eta vs tors. theta energy: -71.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -797.521364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.521364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.521364 (E_RNA)
where:
Base-Base interactions energy: -558.715
where: short stacking energy: -241.107
Base-Backbone interact. energy: -1.662
local terms energy: -237.144338
where:
bonds (distance) C4'-P energy: -46.376
bonds (distance) P-C4' energy: -54.175
flat angles C4'-P-C4' energy: -39.994
flat angles P-C4'-P energy: -38.463
tors. eta vs tors. theta energy: -58.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -698.518076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.518076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.518076 (E_RNA)
where:
Base-Base interactions energy: -466.276
where: short stacking energy: -218.880
Base-Backbone interact. energy: 0.046
local terms energy: -232.288765
where:
bonds (distance) C4'-P energy: -46.564
bonds (distance) P-C4' energy: -45.316
flat angles C4'-P-C4' energy: -45.509
flat angles P-C4'-P energy: -27.888
tors. eta vs tors. theta energy: -67.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -721.492982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.492982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.492982 (E_RNA)
where:
Base-Base interactions energy: -481.639
where: short stacking energy: -218.602
Base-Backbone interact. energy: 0.411
local terms energy: -240.264855
where:
bonds (distance) C4'-P energy: -40.632
bonds (distance) P-C4' energy: -47.749
flat angles C4'-P-C4' energy: -54.858
flat angles P-C4'-P energy: -34.251
tors. eta vs tors. theta energy: -62.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -589.850923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.850923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.850923 (E_RNA)
where:
Base-Base interactions energy: -379.074
where: short stacking energy: -154.241
Base-Backbone interact. energy: -1.290
local terms energy: -209.486402
where:
bonds (distance) C4'-P energy: -49.384
bonds (distance) P-C4' energy: -39.874
flat angles C4'-P-C4' energy: -50.505
flat angles P-C4'-P energy: -26.561
tors. eta vs tors. theta energy: -43.163
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: 3
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -471.330726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.330726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.330726 (E_RNA)
where:
Base-Base interactions energy: -291.510
where: short stacking energy: -135.174
Base-Backbone interact. energy: -0.888
local terms energy: -178.932961
where:
bonds (distance) C4'-P energy: -40.847
bonds (distance) P-C4' energy: -49.698
flat angles C4'-P-C4' energy: -37.357
flat angles P-C4'-P energy: -30.322
tors. eta vs tors. theta energy: -20.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -445.311695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.311695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.311695 (E_RNA)
where:
Base-Base interactions energy: -275.368
where: short stacking energy: -125.133
Base-Backbone interact. energy: 2.768
local terms energy: -172.711833
where:
bonds (distance) C4'-P energy: -33.412
bonds (distance) P-C4' energy: -45.919
flat angles C4'-P-C4' energy: -39.875
flat angles P-C4'-P energy: -27.315
tors. eta vs tors. theta energy: -26.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -233.669564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.669564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.669564 (E_RNA)
where:
Base-Base interactions energy: -95.662
where: short stacking energy: -73.025
Base-Backbone interact. energy: 0.171
local terms energy: -138.178987
where:
bonds (distance) C4'-P energy: -32.703
bonds (distance) P-C4' energy: -31.682
flat angles C4'-P-C4' energy: -42.654
flat angles P-C4'-P energy: -20.763
tors. eta vs tors. theta energy: -10.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -836.557506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.557506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.557506 (E_RNA)
where:
Base-Base interactions energy: -586.751
where: short stacking energy: -238.706
Base-Backbone interact. energy: 0.476
local terms energy: -250.282369
where:
bonds (distance) C4'-P energy: -47.435
bonds (distance) P-C4' energy: -53.022
flat angles C4'-P-C4' energy: -45.244
flat angles P-C4'-P energy: -34.874
tors. eta vs tors. theta energy: -69.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -825.699422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.699422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.699422 (E_RNA)
where:
Base-Base interactions energy: -564.392
where: short stacking energy: -235.825
Base-Backbone interact. energy: 1.626
local terms energy: -262.933048
where:
bonds (distance) C4'-P energy: -54.857
bonds (distance) P-C4' energy: -46.190
flat angles C4'-P-C4' energy: -62.992
flat angles P-C4'-P energy: -33.188
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: 3, replica: 1
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -794.415315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.415315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.415315 (E_RNA)
where:
Base-Base interactions energy: -538.964
where: short stacking energy: -244.447
Base-Backbone interact. energy: -1.530
local terms energy: -253.920877
where:
bonds (distance) C4'-P energy: -46.480
bonds (distance) P-C4' energy: -48.634
flat angles C4'-P-C4' energy: -46.823
flat angles P-C4'-P energy: -37.850
tors. eta vs tors. theta energy: -74.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -773.133993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.133993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.133993 (E_RNA)
where:
Base-Base interactions energy: -557.265
where: short stacking energy: -222.085
Base-Backbone interact. energy: -2.136
local terms energy: -213.732678
where:
bonds (distance) C4'-P energy: -42.588
bonds (distance) P-C4' energy: -44.782
flat angles C4'-P-C4' energy: -47.184
flat angles P-C4'-P energy: -24.434
tors. eta vs tors. theta energy: -54.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -679.901611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.901611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.901611 (E_RNA)
where:
Base-Base interactions energy: -465.483
where: short stacking energy: -205.267
Base-Backbone interact. energy: -2.314
local terms energy: -212.104376
where:
bonds (distance) C4'-P energy: -35.731
bonds (distance) P-C4' energy: -47.435
flat angles C4'-P-C4' energy: -44.636
flat angles P-C4'-P energy: -32.834
tors. eta vs tors. theta energy: -51.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -730.600339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.600339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.600339 (E_RNA)
where:
Base-Base interactions energy: -491.158
where: short stacking energy: -241.471
Base-Backbone interact. energy: -0.459
local terms energy: -238.983378
where:
bonds (distance) C4'-P energy: -40.773
bonds (distance) P-C4' energy: -38.127
flat angles C4'-P-C4' energy: -53.936
flat angles P-C4'-P energy: -34.161
tors. eta vs tors. theta energy: -71.986
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: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -570.464748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.464748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.464748 (E_RNA)
where:
Base-Base interactions energy: -361.784
where: short stacking energy: -156.595
Base-Backbone interact. energy: -1.472
local terms energy: -207.208120
where:
bonds (distance) C4'-P energy: -46.962
bonds (distance) P-C4' energy: -41.267
flat angles C4'-P-C4' energy: -42.574
flat angles P-C4'-P energy: -35.456
tors. eta vs tors. theta energy: -40.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -456.619402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.619402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.619402 (E_RNA)
where:
Base-Base interactions energy: -289.407
where: short stacking energy: -124.683
Base-Backbone interact. energy: -0.913
local terms energy: -166.299386
where:
bonds (distance) C4'-P energy: -35.728
bonds (distance) P-C4' energy: -49.842
flat angles C4'-P-C4' energy: -41.173
flat angles P-C4'-P energy: -22.260
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -462.564006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.564006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.564006 (E_RNA)
where:
Base-Base interactions energy: -299.893
where: short stacking energy: -127.613
Base-Backbone interact. energy: 1.646
local terms energy: -164.316618
where:
bonds (distance) C4'-P energy: -44.355
bonds (distance) P-C4' energy: -41.027
flat angles C4'-P-C4' energy: -35.043
flat angles P-C4'-P energy: -19.200
tors. eta vs tors. theta energy: -24.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -226.585094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.585094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.585094 (E_RNA)
where:
Base-Base interactions energy: -85.955
where: short stacking energy: -58.601
Base-Backbone interact. energy: 1.245
local terms energy: -141.875065
where:
bonds (distance) C4'-P energy: -37.746
bonds (distance) P-C4' energy: -49.871
flat angles C4'-P-C4' energy: -31.512
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -2.703
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: 6
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -842.532620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.532620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.532620 (E_RNA)
where:
Base-Base interactions energy: -590.399
where: short stacking energy: -247.237
Base-Backbone interact. energy: -2.237
local terms energy: -249.896581
where:
bonds (distance) C4'-P energy: -43.079
bonds (distance) P-C4' energy: -44.053
flat angles C4'-P-C4' energy: -58.533
flat angles P-C4'-P energy: -36.432
tors. eta vs tors. theta energy: -67.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -822.333677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.333677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.333677 (E_RNA)
where:
Base-Base interactions energy: -585.374
where: short stacking energy: -230.584
Base-Backbone interact. energy: 2.015
local terms energy: -238.974517
where:
bonds (distance) C4'-P energy: -51.475
bonds (distance) P-C4' energy: -45.383
flat angles C4'-P-C4' energy: -53.127
flat angles P-C4'-P energy: -31.609
tors. eta vs tors. theta energy: -57.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -812.273804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.273804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.273804 (E_RNA)
where:
Base-Base interactions energy: -568.921
where: short stacking energy: -229.535
Base-Backbone interact. energy: -1.422
local terms energy: -241.930578
where:
bonds (distance) C4'-P energy: -45.684
bonds (distance) P-C4' energy: -46.961
flat angles C4'-P-C4' energy: -53.633
flat angles P-C4'-P energy: -35.473
tors. eta vs tors. theta energy: -60.180
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: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -774.856626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.856626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.856626 (E_RNA)
where:
Base-Base interactions energy: -514.038
where: short stacking energy: -243.068
Base-Backbone interact. energy: -0.950
local terms energy: -259.868696
where:
bonds (distance) C4'-P energy: -46.456
bonds (distance) P-C4' energy: -46.791
flat angles C4'-P-C4' energy: -53.703
flat angles P-C4'-P energy: -37.946
tors. eta vs tors. theta energy: -74.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -724.827254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.827254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.827254 (E_RNA)
where:
Base-Base interactions energy: -486.767
where: short stacking energy: -223.977
Base-Backbone interact. energy: -0.501
local terms energy: -237.558738
where:
bonds (distance) C4'-P energy: -36.461
bonds (distance) P-C4' energy: -50.288
flat angles C4'-P-C4' energy: -46.212
flat angles P-C4'-P energy: -38.897
tors. eta vs tors. theta energy: -65.701
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: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -682.013714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.013714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.013714 (E_RNA)
where:
Base-Base interactions energy: -467.985
where: short stacking energy: -201.094
Base-Backbone interact. energy: -0.973
local terms energy: -213.055737
where:
bonds (distance) C4'-P energy: -55.502
bonds (distance) P-C4' energy: -39.050
flat angles C4'-P-C4' energy: -51.040
flat angles P-C4'-P energy: -20.607
tors. eta vs tors. theta energy: -46.857
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: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -561.573918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.573918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.573918 (E_RNA)
where:
Base-Base interactions energy: -385.320
where: short stacking energy: -155.102
Base-Backbone interact. energy: 2.050
local terms energy: -178.303278
where:
bonds (distance) C4'-P energy: -45.709
bonds (distance) P-C4' energy: -43.778
flat angles C4'-P-C4' energy: -39.406
flat angles P-C4'-P energy: -20.280
tors. eta vs tors. theta energy: -29.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -450.368988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.368988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.368988 (E_RNA)
where:
Base-Base interactions energy: -274.307
where: short stacking energy: -133.433
Base-Backbone interact. energy: -1.085
local terms energy: -174.976311
where:
bonds (distance) C4'-P energy: -45.803
bonds (distance) P-C4' energy: -41.944
flat angles C4'-P-C4' energy: -33.934
flat angles P-C4'-P energy: -25.420
tors. eta vs tors. theta energy: -27.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -493.305417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.305417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.305417 (E_RNA)
where:
Base-Base interactions energy: -316.209
where: short stacking energy: -142.380
Base-Backbone interact. energy: -1.720
local terms energy: -175.376097
where:
bonds (distance) C4'-P energy: -45.010
bonds (distance) P-C4' energy: -34.313
flat angles C4'-P-C4' energy: -40.226
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -30.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -233.200342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.200342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.200342 (E_RNA)
where:
Base-Base interactions energy: -102.414
where: short stacking energy: -78.923
Base-Backbone interact. energy: -0.687
local terms energy: -130.099539
where:
bonds (distance) C4'-P energy: -34.906
bonds (distance) P-C4' energy: -37.309
flat angles C4'-P-C4' energy: -43.484
flat angles P-C4'-P energy: -19.497
tors. eta vs tors. theta energy: 5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -828.313664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.313664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.313664 (E_RNA)
where:
Base-Base interactions energy: -576.207
where: short stacking energy: -234.221
Base-Backbone interact. energy: -0.597
local terms energy: -251.509506
where:
bonds (distance) C4'-P energy: -48.555
bonds (distance) P-C4' energy: -44.729
flat angles C4'-P-C4' energy: -56.154
flat angles P-C4'-P energy: -43.990
tors. eta vs tors. theta energy: -58.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -828.058221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.058221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.058221 (E_RNA)
where:
Base-Base interactions energy: -583.209
where: short stacking energy: -234.568
Base-Backbone interact. energy: -1.891
local terms energy: -242.958777
where:
bonds (distance) C4'-P energy: -52.514
bonds (distance) P-C4' energy: -43.079
flat angles C4'-P-C4' energy: -52.891
flat angles P-C4'-P energy: -35.821
tors. eta vs tors. theta energy: -58.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -808.865842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.865842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.865842 (E_RNA)
where:
Base-Base interactions energy: -573.243
where: short stacking energy: -236.017
Base-Backbone interact. energy: -1.594
local terms energy: -234.028636
where:
bonds (distance) C4'-P energy: -38.534
bonds (distance) P-C4' energy: -53.485
flat angles C4'-P-C4' energy: -44.896
flat angles P-C4'-P energy: -38.605
tors. eta vs tors. theta energy: -58.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -769.160514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.160514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.160514 (E_RNA)
where:
Base-Base interactions energy: -521.096
where: short stacking energy: -234.627
Base-Backbone interact. energy: -0.540
local terms energy: -247.523634
where:
bonds (distance) C4'-P energy: -49.378
bonds (distance) P-C4' energy: -48.511
flat angles C4'-P-C4' energy: -46.794
flat angles P-C4'-P energy: -31.938
tors. eta vs tors. theta energy: -70.904
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: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -724.895281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.895281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.895281 (E_RNA)
where:
Base-Base interactions energy: -491.360
where: short stacking energy: -219.823
Base-Backbone interact. energy: -0.916
local terms energy: -232.619584
where:
bonds (distance) C4'-P energy: -42.862
bonds (distance) P-C4' energy: -48.909
flat angles C4'-P-C4' energy: -43.454
flat angles P-C4'-P energy: -34.817
tors. eta vs tors. theta energy: -62.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -655.695816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.695816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.695816 (E_RNA)
where:
Base-Base interactions energy: -448.837
where: short stacking energy: -193.311
Base-Backbone interact. energy: 1.392
local terms energy: -208.250559
where:
bonds (distance) C4'-P energy: -34.860
bonds (distance) P-C4' energy: -41.026
flat angles C4'-P-C4' energy: -51.630
flat angles P-C4'-P energy: -30.102
tors. eta vs tors. theta energy: -50.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -602.919470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.919470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.919470 (E_RNA)
where:
Base-Base interactions energy: -393.925
where: short stacking energy: -163.067
Base-Backbone interact. energy: -0.750
local terms energy: -208.245003
where:
bonds (distance) C4'-P energy: -49.922
bonds (distance) P-C4' energy: -53.300
flat angles C4'-P-C4' energy: -41.685
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: -37.845
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: 8, replica: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -433.701793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.701793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.701793 (E_RNA)
where:
Base-Base interactions energy: -270.241
where: short stacking energy: -127.494
Base-Backbone interact. energy: 3.151
local terms energy: -166.611731
where:
bonds (distance) C4'-P energy: -38.155
bonds (distance) P-C4' energy: -44.213
flat angles C4'-P-C4' energy: -46.298
flat angles P-C4'-P energy: -20.476
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: 9, replica: 3
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -403.518748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.518748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.518748 (E_RNA)
where:
Base-Base interactions energy: -232.870
where: short stacking energy: -126.100
Base-Backbone interact. energy: 0.297
local terms energy: -170.945978
where:
bonds (distance) C4'-P energy: -39.829
bonds (distance) P-C4' energy: -35.963
flat angles C4'-P-C4' energy: -40.668
flat angles P-C4'-P energy: -36.895
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -211.590933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.590933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.590933 (E_RNA)
where:
Base-Base interactions energy: -78.280
where: short stacking energy: -67.013
Base-Backbone interact. energy: 0.086
local terms energy: -133.396227
where:
bonds (distance) C4'-P energy: -45.699
bonds (distance) P-C4' energy: -41.965
flat angles C4'-P-C4' energy: -35.288
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: 4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -834.777720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.777720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.777720 (E_RNA)
where:
Base-Base interactions energy: -587.120
where: short stacking energy: -240.938
Base-Backbone interact. energy: -2.961
local terms energy: -244.696621
where:
bonds (distance) C4'-P energy: -38.669
bonds (distance) P-C4' energy: -46.781
flat angles C4'-P-C4' energy: -55.003
flat angles P-C4'-P energy: -35.568
tors. eta vs tors. theta energy: -68.676
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: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -836.279392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.279392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.279392 (E_RNA)
where:
Base-Base interactions energy: -581.929
where: short stacking energy: -237.840
Base-Backbone interact. energy: -2.434
local terms energy: -251.916089
where:
bonds (distance) C4'-P energy: -40.099
bonds (distance) P-C4' energy: -54.957
flat angles C4'-P-C4' energy: -58.700
flat angles P-C4'-P energy: -41.823
tors. eta vs tors. theta energy: -56.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -822.885952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.885952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.885952 (E_RNA)
where:
Base-Base interactions energy: -586.030
where: short stacking energy: -234.263
Base-Backbone interact. energy: -0.101
local terms energy: -236.755651
where:
bonds (distance) C4'-P energy: -48.185
bonds (distance) P-C4' energy: -44.723
flat angles C4'-P-C4' energy: -52.540
flat angles P-C4'-P energy: -33.255
tors. eta vs tors. theta energy: -58.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -749.906155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.906155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.906155 (E_RNA)
where:
Base-Base interactions energy: -507.838
where: short stacking energy: -214.960
Base-Backbone interact. energy: -0.944
local terms energy: -241.124015
where:
bonds (distance) C4'-P energy: -44.702
bonds (distance) P-C4' energy: -46.317
flat angles C4'-P-C4' energy: -52.913
flat angles P-C4'-P energy: -34.207
tors. eta vs tors. theta energy: -62.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -732.783233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.783233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.783233 (E_RNA)
where:
Base-Base interactions energy: -492.321
where: short stacking energy: -218.211
Base-Backbone interact. energy: 0.194
local terms energy: -240.657068
where:
bonds (distance) C4'-P energy: -44.843
bonds (distance) P-C4' energy: -43.860
flat angles C4'-P-C4' energy: -51.027
flat angles P-C4'-P energy: -37.495
tors. eta vs tors. theta energy: -63.432
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: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -690.327766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.327766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.327766 (E_RNA)
where:
Base-Base interactions energy: -469.561
where: short stacking energy: -216.035
Base-Backbone interact. energy: -0.085
local terms energy: -220.681958
where:
bonds (distance) C4'-P energy: -35.642
bonds (distance) P-C4' energy: -50.707
flat angles C4'-P-C4' energy: -55.473
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: -55.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -623.419865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.419865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.419865 (E_RNA)
where:
Base-Base interactions energy: -419.976
where: short stacking energy: -181.966
Base-Backbone interact. energy: 0.746
local terms energy: -204.189647
where:
bonds (distance) C4'-P energy: -43.826
bonds (distance) P-C4' energy: -37.578
flat angles C4'-P-C4' energy: -43.480
flat angles P-C4'-P energy: -27.034
tors. eta vs tors. theta energy: -52.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -445.910654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.910654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.910654 (E_RNA)
where:
Base-Base interactions energy: -274.498
where: short stacking energy: -141.598
Base-Backbone interact. energy: -0.779
local terms energy: -170.633487
where:
bonds (distance) C4'-P energy: -39.973
bonds (distance) P-C4' energy: -43.272
flat angles C4'-P-C4' energy: -42.143
flat angles P-C4'-P energy: -25.004
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -441.178057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.178057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.178057 (E_RNA)
where:
Base-Base interactions energy: -269.357
where: short stacking energy: -134.336
Base-Backbone interact. energy: -0.478
local terms energy: -171.342924
where:
bonds (distance) C4'-P energy: -33.669
bonds (distance) P-C4' energy: -41.302
flat angles C4'-P-C4' energy: -44.125
flat angles P-C4'-P energy: -26.201
tors. eta vs tors. theta energy: -26.047
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: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -234.842752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.842752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.842752 (E_RNA)
where:
Base-Base interactions energy: -94.135
where: short stacking energy: -87.304
Base-Backbone interact. energy: 2.418
local terms energy: -143.126007
where:
bonds (distance) C4'-P energy: -37.054
bonds (distance) P-C4' energy: -41.827
flat angles C4'-P-C4' energy: -42.980
flat angles P-C4'-P energy: -18.308
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -842.420987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.420987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.420987 (E_RNA)
where:
Base-Base interactions energy: -579.754
where: short stacking energy: -242.559
Base-Backbone interact. energy: -0.079
local terms energy: -262.588019
where:
bonds (distance) C4'-P energy: -49.688
bonds (distance) P-C4' energy: -55.826
flat angles C4'-P-C4' energy: -49.934
flat angles P-C4'-P energy: -36.575
tors. eta vs tors. theta energy: -70.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -825.418252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.418252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.418252 (E_RNA)
where:
Base-Base interactions energy: -591.780
where: short stacking energy: -237.323
Base-Backbone interact. energy: 1.698
local terms energy: -235.335609
where:
bonds (distance) C4'-P energy: -46.002
bonds (distance) P-C4' energy: -48.869
flat angles C4'-P-C4' energy: -47.761
flat angles P-C4'-P energy: -32.427
tors. eta vs tors. theta energy: -60.276
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: 10
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -812.298072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.298072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.298072 (E_RNA)
where:
Base-Base interactions energy: -584.261
where: short stacking energy: -237.717
Base-Backbone interact. energy: -1.693
local terms energy: -226.344068
where:
bonds (distance) C4'-P energy: -38.315
bonds (distance) P-C4' energy: -51.403
flat angles C4'-P-C4' energy: -53.174
flat angles P-C4'-P energy: -28.664
tors. eta vs tors. theta energy: -54.788
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: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -768.889879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.889879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.889879 (E_RNA)
where:
Base-Base interactions energy: -529.077
where: short stacking energy: -233.028
Base-Backbone interact. energy: -1.558
local terms energy: -238.254127
where:
bonds (distance) C4'-P energy: -43.449
bonds (distance) P-C4' energy: -43.396
flat angles C4'-P-C4' energy: -55.443
flat angles P-C4'-P energy: -29.170
tors. eta vs tors. theta energy: -66.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -749.201715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.201715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.201715 (E_RNA)
where:
Base-Base interactions energy: -493.607
where: short stacking energy: -217.205
Base-Backbone interact. energy: -0.455
local terms energy: -255.138937
where:
bonds (distance) C4'-P energy: -33.330
bonds (distance) P-C4' energy: -53.168
flat angles C4'-P-C4' energy: -55.701
flat angles P-C4'-P energy: -38.203
tors. eta vs tors. theta energy: -74.737
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: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -700.737034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.737034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.737034 (E_RNA)
where:
Base-Base interactions energy: -482.629
where: short stacking energy: -209.141
Base-Backbone interact. energy: 2.531
local terms energy: -220.638892
where:
bonds (distance) C4'-P energy: -39.039
bonds (distance) P-C4' energy: -42.655
flat angles C4'-P-C4' energy: -49.459
flat angles P-C4'-P energy: -31.521
tors. eta vs tors. theta energy: -57.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -633.710944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.710944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.710944 (E_RNA)
where:
Base-Base interactions energy: -416.948
where: short stacking energy: -184.663
Base-Backbone interact. energy: 0.503
local terms energy: -217.265882
where:
bonds (distance) C4'-P energy: -40.481
bonds (distance) P-C4' energy: -60.045
flat angles C4'-P-C4' energy: -55.172
flat angles P-C4'-P energy: -27.103
tors. eta vs tors. theta energy: -34.465
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: 3
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -420.008634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.008634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.008634 (E_RNA)
where:
Base-Base interactions energy: -243.300
where: short stacking energy: -123.113
Base-Backbone interact. energy: -0.596
local terms energy: -176.112774
where:
bonds (distance) C4'-P energy: -33.861
bonds (distance) P-C4' energy: -52.128
flat angles C4'-P-C4' energy: -42.346
flat angles P-C4'-P energy: -18.323
tors. eta vs tors. theta energy: -29.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -436.158926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.158926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.158926 (E_RNA)
where:
Base-Base interactions energy: -281.406
where: short stacking energy: -121.820
Base-Backbone interact. energy: -0.816
local terms energy: -153.936849
where:
bonds (distance) C4'-P energy: -32.684
bonds (distance) P-C4' energy: -39.412
flat angles C4'-P-C4' energy: -37.811
flat angles P-C4'-P energy: -32.800
tors. eta vs tors. theta energy: -11.229
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: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -212.997062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.997062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.997062 (E_RNA)
where:
Base-Base interactions energy: -78.660
where: short stacking energy: -74.488
Base-Backbone interact. energy: -0.972
local terms energy: -133.364727
where:
bonds (distance) C4'-P energy: -43.464
bonds (distance) P-C4' energy: -48.356
flat angles C4'-P-C4' energy: -30.638
flat angles P-C4'-P energy: -20.210
tors. eta vs tors. theta energy: 9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -823.287057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.287057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.287057 (E_RNA)
where:
Base-Base interactions energy: -577.084
where: short stacking energy: -245.471
Base-Backbone interact. energy: -2.626
local terms energy: -243.577811
where:
bonds (distance) C4'-P energy: -38.503
bonds (distance) P-C4' energy: -48.359
flat angles C4'-P-C4' energy: -58.935
flat angles P-C4'-P energy: -31.554
tors. eta vs tors. theta energy: -66.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -823.626103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.626103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.626103 (E_RNA)
where:
Base-Base interactions energy: -584.438
where: short stacking energy: -237.433
Base-Backbone interact. energy: -0.553
local terms energy: -238.635334
where:
bonds (distance) C4'-P energy: -52.711
bonds (distance) P-C4' energy: -42.234
flat angles C4'-P-C4' energy: -51.917
flat angles P-C4'-P energy: -30.945
tors. eta vs tors. theta energy: -60.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -819.386955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.386955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.386955 (E_RNA)
where:
Base-Base interactions energy: -587.552
where: short stacking energy: -230.878
Base-Backbone interact. energy: -0.377
local terms energy: -231.458291
where:
bonds (distance) C4'-P energy: -44.987
bonds (distance) P-C4' energy: -46.717
flat angles C4'-P-C4' energy: -43.588
flat angles P-C4'-P energy: -39.064
tors. eta vs tors. theta energy: -57.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -769.465870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.465870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.465870 (E_RNA)
where:
Base-Base interactions energy: -541.411
where: short stacking energy: -227.971
Base-Backbone interact. energy: -1.145
local terms energy: -226.909415
where:
bonds (distance) C4'-P energy: -36.650
bonds (distance) P-C4' energy: -43.124
flat angles C4'-P-C4' energy: -45.182
flat angles P-C4'-P energy: -38.401
tors. eta vs tors. theta energy: -63.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -753.435344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.435344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.435344 (E_RNA)
where:
Base-Base interactions energy: -502.676
where: short stacking energy: -240.570
Base-Backbone interact. energy: -0.491
local terms energy: -250.267625
where:
bonds (distance) C4'-P energy: -43.204
bonds (distance) P-C4' energy: -37.792
flat angles C4'-P-C4' energy: -53.132
flat angles P-C4'-P energy: -43.162
tors. eta vs tors. theta energy: -72.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -670.077224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.077224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.077224 (E_RNA)
where:
Base-Base interactions energy: -463.241
where: short stacking energy: -203.974
Base-Backbone interact. energy: -1.288
local terms energy: -205.548077
where:
bonds (distance) C4'-P energy: -42.494
bonds (distance) P-C4' energy: -48.006
flat angles C4'-P-C4' energy: -52.290
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -46.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -602.614738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.614738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.614738 (E_RNA)
where:
Base-Base interactions energy: -402.726
where: short stacking energy: -176.096
Base-Backbone interact. energy: -1.098
local terms energy: -198.791240
where:
bonds (distance) C4'-P energy: -33.634
bonds (distance) P-C4' energy: -44.884
flat angles C4'-P-C4' energy: -44.045
flat angles P-C4'-P energy: -36.071
tors. eta vs tors. theta energy: -40.157
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: 8, replica: 3
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -415.856620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.856620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.856620 (E_RNA)
where:
Base-Base interactions energy: -250.555
where: short stacking energy: -130.380
Base-Backbone interact. energy: -0.478
local terms energy: -164.824273
where:
bonds (distance) C4'-P energy: -30.969
bonds (distance) P-C4' energy: -48.940
flat angles C4'-P-C4' energy: -38.363
flat angles P-C4'-P energy: -24.687
tors. eta vs tors. theta energy: -21.864
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: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -433.136471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.136471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.136471 (E_RNA)
where:
Base-Base interactions energy: -251.203
where: short stacking energy: -124.576
Base-Backbone interact. energy: -1.905
local terms energy: -180.027954
where:
bonds (distance) C4'-P energy: -36.740
bonds (distance) P-C4' energy: -36.536
flat angles C4'-P-C4' energy: -51.512
flat angles P-C4'-P energy: -28.716
tors. eta vs tors. theta energy: -26.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -210.516904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.516904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.516904 (E_RNA)
where:
Base-Base interactions energy: -72.326
where: short stacking energy: -61.611
Base-Backbone interact. energy: -0.861
local terms energy: -137.330188
where:
bonds (distance) C4'-P energy: -44.735
bonds (distance) P-C4' energy: -45.743
flat angles C4'-P-C4' energy: -31.278
flat angles P-C4'-P energy: -23.982
tors. eta vs tors. theta energy: 8.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -813.661193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.661193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.661193 (E_RNA)
where:
Base-Base interactions energy: -567.817
where: short stacking energy: -234.460
Base-Backbone interact. energy: -1.336
local terms energy: -244.508698
where:
bonds (distance) C4'-P energy: -47.621
bonds (distance) P-C4' energy: -49.872
flat angles C4'-P-C4' energy: -52.529
flat angles P-C4'-P energy: -27.873
tors. eta vs tors. theta energy: -66.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -827.215239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.215239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.215239 (E_RNA)
where:
Base-Base interactions energy: -588.030
where: short stacking energy: -234.327
Base-Backbone interact. energy: -1.915
local terms energy: -237.269817
where:
bonds (distance) C4'-P energy: -45.797
bonds (distance) P-C4' energy: -51.173
flat angles C4'-P-C4' energy: -50.967
flat angles P-C4'-P energy: -35.357
tors. eta vs tors. theta energy: -53.976
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: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -802.717532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.717532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.717532 (E_RNA)
where:
Base-Base interactions energy: -550.701
where: short stacking energy: -225.160
Base-Backbone interact. energy: -0.368
local terms energy: -251.647827
where:
bonds (distance) C4'-P energy: -52.005
bonds (distance) P-C4' energy: -45.168
flat angles C4'-P-C4' energy: -52.053
flat angles P-C4'-P energy: -40.525
tors. eta vs tors. theta energy: -61.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -754.690186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.690186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.690186 (E_RNA)
where:
Base-Base interactions energy: -527.463
where: short stacking energy: -230.371
Base-Backbone interact. energy: -0.890
local terms energy: -226.337394
where:
bonds (distance) C4'-P energy: -34.387
bonds (distance) P-C4' energy: -46.324
flat angles C4'-P-C4' energy: -50.127
flat angles P-C4'-P energy: -32.096
tors. eta vs tors. theta energy: -63.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -758.908143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.908143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.908143 (E_RNA)
where:
Base-Base interactions energy: -510.080
where: short stacking energy: -234.381
Base-Backbone interact. energy: -1.209
local terms energy: -247.619292
where:
bonds (distance) C4'-P energy: -39.341
bonds (distance) P-C4' energy: -48.486
flat angles C4'-P-C4' energy: -60.662
flat angles P-C4'-P energy: -37.476
tors. eta vs tors. theta energy: -61.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -693.919803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.919803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.919803 (E_RNA)
where:
Base-Base interactions energy: -475.151
where: short stacking energy: -212.292
Base-Backbone interact. energy: -0.507
local terms energy: -218.261338
where:
bonds (distance) C4'-P energy: -42.227
bonds (distance) P-C4' energy: -47.092
flat angles C4'-P-C4' energy: -48.361
flat angles P-C4'-P energy: -31.542
tors. eta vs tors. theta energy: -49.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -595.638849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.638849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.638849 (E_RNA)
where:
Base-Base interactions energy: -382.462
where: short stacking energy: -174.495
Base-Backbone interact. energy: -0.482
local terms energy: -212.694349
where:
bonds (distance) C4'-P energy: -40.659
bonds (distance) P-C4' energy: -44.650
flat angles C4'-P-C4' energy: -48.490
flat angles P-C4'-P energy: -38.212
tors. eta vs tors. theta energy: -40.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -426.929629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.929629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.929629 (E_RNA)
where:
Base-Base interactions energy: -246.912
where: short stacking energy: -113.109
Base-Backbone interact. energy: -0.449
local terms energy: -179.568782
where:
bonds (distance) C4'-P energy: -45.265
bonds (distance) P-C4' energy: -51.672
flat angles C4'-P-C4' energy: -40.768
flat angles P-C4'-P energy: -25.834
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -447.553274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.553274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.553274 (E_RNA)
where:
Base-Base interactions energy: -282.100
where: short stacking energy: -124.653
Base-Backbone interact. energy: -2.274
local terms energy: -163.180150
where:
bonds (distance) C4'-P energy: -35.094
bonds (distance) P-C4' energy: -38.782
flat angles C4'-P-C4' energy: -34.031
flat angles P-C4'-P energy: -28.218
tors. eta vs tors. theta energy: -27.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -249.112261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.112261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.112261 (E_RNA)
where:
Base-Base interactions energy: -111.213
where: short stacking energy: -91.293
Base-Backbone interact. energy: 0.140
local terms energy: -138.040020
where:
bonds (distance) C4'-P energy: -41.189
bonds (distance) P-C4' energy: -33.763
flat angles C4'-P-C4' energy: -35.618
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -6.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -845.469192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.469192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.469192 (E_RNA)
where:
Base-Base interactions energy: -586.893
where: short stacking energy: -226.853
Base-Backbone interact. energy: -0.212
local terms energy: -258.365139
where:
bonds (distance) C4'-P energy: -51.836
bonds (distance) P-C4' energy: -54.523
flat angles C4'-P-C4' energy: -55.660
flat angles P-C4'-P energy: -39.647
tors. eta vs tors. theta energy: -56.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -827.950473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.950473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.950473 (E_RNA)
where:
Base-Base interactions energy: -562.010
where: short stacking energy: -243.916
Base-Backbone interact. energy: -1.605
local terms energy: -264.335353
where:
bonds (distance) C4'-P energy: -45.883
bonds (distance) P-C4' energy: -53.298
flat angles C4'-P-C4' energy: -51.049
flat angles P-C4'-P energy: -40.141
tors. eta vs tors. theta energy: -73.964
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: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -788.376106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.376106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.376106 (E_RNA)
where:
Base-Base interactions energy: -541.896
where: short stacking energy: -234.483
Base-Backbone interact. energy: 2.470
local terms energy: -248.950166
where:
bonds (distance) C4'-P energy: -51.480
bonds (distance) P-C4' energy: -46.988
flat angles C4'-P-C4' energy: -55.704
flat angles P-C4'-P energy: -28.789
tors. eta vs tors. theta energy: -65.989
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: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -747.496779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.496779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.496779 (E_RNA)
where:
Base-Base interactions energy: -509.466
where: short stacking energy: -247.265
Base-Backbone interact. energy: 0.049
local terms energy: -238.080368
where:
bonds (distance) C4'-P energy: -44.705
bonds (distance) P-C4' energy: -45.629
flat angles C4'-P-C4' energy: -44.311
flat angles P-C4'-P energy: -32.935
tors. eta vs tors. theta energy: -70.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -752.906367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.906367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.906367 (E_RNA)
where:
Base-Base interactions energy: -489.240
where: short stacking energy: -230.133
Base-Backbone interact. energy: -3.494
local terms energy: -260.172289
where:
bonds (distance) C4'-P energy: -45.414
bonds (distance) P-C4' energy: -59.758
flat angles C4'-P-C4' energy: -53.490
flat angles P-C4'-P energy: -35.824
tors. eta vs tors. theta energy: -65.686
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: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -707.150162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.150162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.150162 (E_RNA)
where:
Base-Base interactions energy: -476.201
where: short stacking energy: -204.600
Base-Backbone interact. energy: 1.930
local terms energy: -232.879414
where:
bonds (distance) C4'-P energy: -49.082
bonds (distance) P-C4' energy: -42.360
flat angles C4'-P-C4' energy: -54.734
flat angles P-C4'-P energy: -28.817
tors. eta vs tors. theta energy: -57.887
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: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -604.619521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.619521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.619521 (E_RNA)
where:
Base-Base interactions energy: -395.589
where: short stacking energy: -174.332
Base-Backbone interact. energy: -1.022
local terms energy: -208.008944
where:
bonds (distance) C4'-P energy: -49.151
bonds (distance) P-C4' energy: -41.365
flat angles C4'-P-C4' energy: -49.196
flat angles P-C4'-P energy: -29.308
tors. eta vs tors. theta energy: -38.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -393.188142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.188142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.188142 (E_RNA)
where:
Base-Base interactions energy: -231.865
where: short stacking energy: -118.072
Base-Backbone interact. energy: -0.902
local terms energy: -160.421368
where:
bonds (distance) C4'-P energy: -36.146
bonds (distance) P-C4' energy: -47.454
flat angles C4'-P-C4' energy: -39.441
flat angles P-C4'-P energy: -26.692
tors. eta vs tors. theta energy: -10.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -432.180200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.180200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.180200 (E_RNA)
where:
Base-Base interactions energy: -253.959
where: short stacking energy: -118.571
Base-Backbone interact. energy: -0.251
local terms energy: -177.970543
where:
bonds (distance) C4'-P energy: -28.004
bonds (distance) P-C4' energy: -39.802
flat angles C4'-P-C4' energy: -50.884
flat angles P-C4'-P energy: -30.546
tors. eta vs tors. theta energy: -28.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -235.565853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.565853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.565853 (E_RNA)
where:
Base-Base interactions energy: -93.002
where: short stacking energy: -69.155
Base-Backbone interact. energy: 0.354
local terms energy: -142.918053
where:
bonds (distance) C4'-P energy: -47.788
bonds (distance) P-C4' energy: -39.897
flat angles C4'-P-C4' energy: -40.538
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -841.669624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.669624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.669624 (E_RNA)
where:
Base-Base interactions energy: -602.273
where: short stacking energy: -244.597
Base-Backbone interact. energy: -1.327
local terms energy: -238.069551
where:
bonds (distance) C4'-P energy: -46.497
bonds (distance) P-C4' energy: -44.020
flat angles C4'-P-C4' energy: -50.273
flat angles P-C4'-P energy: -33.362
tors. eta vs tors. theta energy: -63.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -820.189781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.189781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.189781 (E_RNA)
where:
Base-Base interactions energy: -559.535
where: short stacking energy: -241.397
Base-Backbone interact. energy: -3.341
local terms energy: -257.313837
where:
bonds (distance) C4'-P energy: -42.414
bonds (distance) P-C4' energy: -45.271
flat angles C4'-P-C4' energy: -55.695
flat angles P-C4'-P energy: -38.823
tors. eta vs tors. theta energy: -75.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -782.507010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.507010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.507010 (E_RNA)
where:
Base-Base interactions energy: -539.344
where: short stacking energy: -224.830
Base-Backbone interact. energy: -0.053
local terms energy: -243.110374
where:
bonds (distance) C4'-P energy: -43.347
bonds (distance) P-C4' energy: -43.060
flat angles C4'-P-C4' energy: -55.702
flat angles P-C4'-P energy: -42.503
tors. eta vs tors. theta energy: -58.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -755.864223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.864223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.864223 (E_RNA)
where:
Base-Base interactions energy: -499.902
where: short stacking energy: -225.322
Base-Backbone interact. energy: -0.787
local terms energy: -255.174693
where:
bonds (distance) C4'-P energy: -45.790
bonds (distance) P-C4' energy: -45.760
flat angles C4'-P-C4' energy: -56.562
flat angles P-C4'-P energy: -38.852
tors. eta vs tors. theta energy: -68.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -711.341532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.341532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.341532 (E_RNA)
where:
Base-Base interactions energy: -487.095
where: short stacking energy: -234.700
Base-Backbone interact. energy: -0.213
local terms energy: -224.034402
where:
bonds (distance) C4'-P energy: -36.102
bonds (distance) P-C4' energy: -39.450
flat angles C4'-P-C4' energy: -52.438
flat angles P-C4'-P energy: -30.918
tors. eta vs tors. theta energy: -65.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -657.129300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.129300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.129300 (E_RNA)
where:
Base-Base interactions energy: -430.366
where: short stacking energy: -175.121
Base-Backbone interact. energy: -1.730
local terms energy: -225.033893
where:
bonds (distance) C4'-P energy: -48.030
bonds (distance) P-C4' energy: -49.042
flat angles C4'-P-C4' energy: -46.116
flat angles P-C4'-P energy: -34.503
tors. eta vs tors. theta energy: -47.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -645.674683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.674683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.674683 (E_RNA)
where:
Base-Base interactions energy: -430.844
where: short stacking energy: -192.330
Base-Backbone interact. energy: 1.299
local terms energy: -216.129180
where:
bonds (distance) C4'-P energy: -39.218
bonds (distance) P-C4' energy: -47.219
flat angles C4'-P-C4' energy: -50.926
flat angles P-C4'-P energy: -26.877
tors. eta vs tors. theta energy: -51.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -467.219717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.219717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.219717 (E_RNA)
where:
Base-Base interactions energy: -281.174
where: short stacking energy: -122.278
Base-Backbone interact. energy: -2.778
local terms energy: -183.267206
where:
bonds (distance) C4'-P energy: -40.154
bonds (distance) P-C4' energy: -41.362
flat angles C4'-P-C4' energy: -42.537
flat angles P-C4'-P energy: -32.132
tors. eta vs tors. theta energy: -27.083
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: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -412.473067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.473067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.473067 (E_RNA)
where:
Base-Base interactions energy: -237.564
where: short stacking energy: -117.162
Base-Backbone interact. energy: -0.374
local terms energy: -174.535044
where:
bonds (distance) C4'-P energy: -42.088
bonds (distance) P-C4' energy: -45.535
flat angles C4'-P-C4' energy: -43.090
flat angles P-C4'-P energy: -25.158
tors. eta vs tors. theta energy: -18.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -237.273562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.273562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.273562 (E_RNA)
where:
Base-Base interactions energy: -79.569
where: short stacking energy: -70.577
Base-Backbone interact. energy: -0.200
local terms energy: -157.504733
where:
bonds (distance) C4'-P energy: -48.098
bonds (distance) P-C4' energy: -43.469
flat angles C4'-P-C4' energy: -39.913
flat angles P-C4'-P energy: -22.640
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -832.091307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.091307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.091307 (E_RNA)
where:
Base-Base interactions energy: -580.984
where: short stacking energy: -239.400
Base-Backbone interact. energy: -1.414
local terms energy: -249.693282
where:
bonds (distance) C4'-P energy: -52.400
bonds (distance) P-C4' energy: -50.924
flat angles C4'-P-C4' energy: -53.562
flat angles P-C4'-P energy: -34.517
tors. eta vs tors. theta energy: -58.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -819.944326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.944326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.944326 (E_RNA)
where:
Base-Base interactions energy: -569.965
where: short stacking energy: -245.881
Base-Backbone interact. energy: -0.765
local terms energy: -249.214216
where:
bonds (distance) C4'-P energy: -42.923
bonds (distance) P-C4' energy: -46.509
flat angles C4'-P-C4' energy: -52.789
flat angles P-C4'-P energy: -35.232
tors. eta vs tors. theta energy: -71.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -802.186353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.186353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.186353 (E_RNA)
where:
Base-Base interactions energy: -577.212
where: short stacking energy: -234.980
Base-Backbone interact. energy: -0.270
local terms energy: -224.703516
where:
bonds (distance) C4'-P energy: -40.260
bonds (distance) P-C4' energy: -50.467
flat angles C4'-P-C4' energy: -48.385
flat angles P-C4'-P energy: -26.936
tors. eta vs tors. theta energy: -58.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -761.895020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.895020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.895020 (E_RNA)
where:
Base-Base interactions energy: -503.620
where: short stacking energy: -232.761
Base-Backbone interact. energy: -0.010
local terms energy: -258.264721
where:
bonds (distance) C4'-P energy: -49.334
bonds (distance) P-C4' energy: -43.283
flat angles C4'-P-C4' energy: -51.529
flat angles P-C4'-P energy: -45.209
tors. eta vs tors. theta energy: -68.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -716.052438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.052438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.052438 (E_RNA)
where:
Base-Base interactions energy: -497.105
where: short stacking energy: -217.188
Base-Backbone interact. energy: -0.616
local terms energy: -218.331736
where:
bonds (distance) C4'-P energy: -44.587
bonds (distance) P-C4' energy: -45.384
flat angles C4'-P-C4' energy: -41.861
flat angles P-C4'-P energy: -25.756
tors. eta vs tors. theta energy: -60.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -657.415294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.415294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.415294 (E_RNA)
where:
Base-Base interactions energy: -443.166
where: short stacking energy: -185.951
Base-Backbone interact. energy: -1.571
local terms energy: -212.678798
where:
bonds (distance) C4'-P energy: -30.525
bonds (distance) P-C4' energy: -45.481
flat angles C4'-P-C4' energy: -46.907
flat angles P-C4'-P energy: -37.483
tors. eta vs tors. theta energy: -52.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -599.031125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.031125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.031125 (E_RNA)
where:
Base-Base interactions energy: -414.636
where: short stacking energy: -160.610
Base-Backbone interact. energy: -0.271
local terms energy: -184.124766
where:
bonds (distance) C4'-P energy: -39.747
bonds (distance) P-C4' energy: -40.425
flat angles C4'-P-C4' energy: -43.524
flat angles P-C4'-P energy: -17.184
tors. eta vs tors. theta energy: -43.245
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: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -469.643255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.643255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.643255 (E_RNA)
where:
Base-Base interactions energy: -284.474
where: short stacking energy: -122.495
Base-Backbone interact. energy: -2.329
local terms energy: -182.840327
where:
bonds (distance) C4'-P energy: -40.185
bonds (distance) P-C4' energy: -41.925
flat angles C4'-P-C4' energy: -46.750
flat angles P-C4'-P energy: -20.864
tors. eta vs tors. theta energy: -33.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -395.550748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.550748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.550748 (E_RNA)
where:
Base-Base interactions energy: -223.396
where: short stacking energy: -116.826
Base-Backbone interact. energy: -0.525
local terms energy: -171.629236
where:
bonds (distance) C4'-P energy: -38.587
bonds (distance) P-C4' energy: -41.425
flat angles C4'-P-C4' energy: -51.727
flat angles P-C4'-P energy: -21.703
tors. eta vs tors. theta energy: -18.187
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: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -207.475259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.475259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.475259 (E_RNA)
where:
Base-Base interactions energy: -75.917
where: short stacking energy: -71.989
Base-Backbone interact. energy: -2.929
local terms energy: -128.628927
where:
bonds (distance) C4'-P energy: -34.528
bonds (distance) P-C4' energy: -49.072
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -26.635
tors. eta vs tors. theta energy: 2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -857.631620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.631620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.631620 (E_RNA)
where:
Base-Base interactions energy: -612.591
where: short stacking energy: -246.695
Base-Backbone interact. energy: -1.587
local terms energy: -243.453658
where:
bonds (distance) C4'-P energy: -44.652
bonds (distance) P-C4' energy: -53.365
flat angles C4'-P-C4' energy: -51.717
flat angles P-C4'-P energy: -30.477
tors. eta vs tors. theta energy: -63.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -821.849423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.849423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.849423 (E_RNA)
where:
Base-Base interactions energy: -568.492
where: short stacking energy: -241.656
Base-Backbone interact. energy: -3.852
local terms energy: -249.505993
where:
bonds (distance) C4'-P energy: -42.326
bonds (distance) P-C4' energy: -48.147
flat angles C4'-P-C4' energy: -49.552
flat angles P-C4'-P energy: -37.162
tors. eta vs tors. theta energy: -72.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -798.323174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.323174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.323174 (E_RNA)
where:
Base-Base interactions energy: -539.764
where: short stacking energy: -225.467
Base-Backbone interact. energy: -1.345
local terms energy: -257.213462
where:
bonds (distance) C4'-P energy: -51.225
bonds (distance) P-C4' energy: -51.680
flat angles C4'-P-C4' energy: -54.830
flat angles P-C4'-P energy: -41.144
tors. eta vs tors. theta energy: -58.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -780.577518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.577518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.577518 (E_RNA)
where:
Base-Base interactions energy: -528.187
where: short stacking energy: -242.447
Base-Backbone interact. energy: -1.381
local terms energy: -251.009519
where:
bonds (distance) C4'-P energy: -42.241
bonds (distance) P-C4' energy: -56.456
flat angles C4'-P-C4' energy: -47.680
flat angles P-C4'-P energy: -28.236
tors. eta vs tors. theta energy: -76.397
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: 353
Temperature: 1.100000
Total energy: -719.023611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.023611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.023611 (E_RNA)
where:
Base-Base interactions energy: -477.801
where: short stacking energy: -206.355
Base-Backbone interact. energy: -0.310
local terms energy: -240.913079
where:
bonds (distance) C4'-P energy: -44.278
bonds (distance) P-C4' energy: -50.201
flat angles C4'-P-C4' energy: -51.659
flat angles P-C4'-P energy: -32.666
tors. eta vs tors. theta energy: -62.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -668.100627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.100627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.100627 (E_RNA)
where:
Base-Base interactions energy: -451.684
where: short stacking energy: -197.985
Base-Backbone interact. energy: 1.273
local terms energy: -217.689476
where:
bonds (distance) C4'-P energy: -40.805
bonds (distance) P-C4' energy: -43.029
flat angles C4'-P-C4' energy: -46.721
flat angles P-C4'-P energy: -33.799
tors. eta vs tors. theta energy: -53.335
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: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -630.395524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.395524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.395524 (E_RNA)
where:
Base-Base interactions energy: -430.368
where: short stacking energy: -186.959
Base-Backbone interact. energy: -1.548
local terms energy: -198.478881
where:
bonds (distance) C4'-P energy: -46.468
bonds (distance) P-C4' energy: -40.798
flat angles C4'-P-C4' energy: -44.302
flat angles P-C4'-P energy: -24.505
tors. eta vs tors. theta energy: -42.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -541.687671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.687671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.687671 (E_RNA)
where:
Base-Base interactions energy: -346.422
where: short stacking energy: -154.190
Base-Backbone interact. energy: -0.981
local terms energy: -194.284528
where:
bonds (distance) C4'-P energy: -48.888
bonds (distance) P-C4' energy: -47.589
flat angles C4'-P-C4' energy: -40.352
flat angles P-C4'-P energy: -25.380
tors. eta vs tors. theta energy: -32.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -405.529879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.529879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.529879 (E_RNA)
where:
Base-Base interactions energy: -247.608
where: short stacking energy: -146.396
Base-Backbone interact. energy: -3.599
local terms energy: -154.322887
where:
bonds (distance) C4'-P energy: -43.235
bonds (distance) P-C4' energy: -28.706
flat angles C4'-P-C4' energy: -34.183
flat angles P-C4'-P energy: -25.328
tors. eta vs tors. theta energy: -22.871
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: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -210.095810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.095810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.095810 (E_RNA)
where:
Base-Base interactions energy: -74.950
where: short stacking energy: -61.902
Base-Backbone interact. energy: -1.993
local terms energy: -133.152912
where:
bonds (distance) C4'-P energy: -40.511
bonds (distance) P-C4' energy: -47.126
flat angles C4'-P-C4' energy: -38.665
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: 4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -850.359608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.359608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.359608 (E_RNA)
where:
Base-Base interactions energy: -600.467
where: short stacking energy: -251.847
Base-Backbone interact. energy: -0.478
local terms energy: -249.414819
where:
bonds (distance) C4'-P energy: -42.135
bonds (distance) P-C4' energy: -48.004
flat angles C4'-P-C4' energy: -59.142
flat angles P-C4'-P energy: -38.353
tors. eta vs tors. theta energy: -61.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -816.530298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.530298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.530298 (E_RNA)
where:
Base-Base interactions energy: -561.790
where: short stacking energy: -233.681
Base-Backbone interact. energy: -0.109
local terms energy: -254.631246
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -49.135
flat angles C4'-P-C4' energy: -50.000
flat angles P-C4'-P energy: -41.562
tors. eta vs tors. theta energy: -69.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -781.803361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.803361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.803361 (E_RNA)
where:
Base-Base interactions energy: -540.377
where: short stacking energy: -239.928
Base-Backbone interact. energy: -0.918
local terms energy: -240.508129
where:
bonds (distance) C4'-P energy: -43.162
bonds (distance) P-C4' energy: -48.991
flat angles C4'-P-C4' energy: -51.249
flat angles P-C4'-P energy: -30.836
tors. eta vs tors. theta energy: -66.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -784.650875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.650875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.650875 (E_RNA)
where:
Base-Base interactions energy: -544.996
where: short stacking energy: -230.591
Base-Backbone interact. energy: 0.365
local terms energy: -240.019858
where:
bonds (distance) C4'-P energy: -40.397
bonds (distance) P-C4' energy: -50.028
flat angles C4'-P-C4' energy: -57.775
flat angles P-C4'-P energy: -31.165
tors. eta vs tors. theta energy: -60.654
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: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -733.467950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.467950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.467950 (E_RNA)
where:
Base-Base interactions energy: -497.177
where: short stacking energy: -220.867
Base-Backbone interact. energy: -0.226
local terms energy: -236.064349
where:
bonds (distance) C4'-P energy: -40.849
bonds (distance) P-C4' energy: -47.350
flat angles C4'-P-C4' energy: -54.169
flat angles P-C4'-P energy: -26.557
tors. eta vs tors. theta energy: -67.139
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: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -649.367822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.367822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.367822 (E_RNA)
where:
Base-Base interactions energy: -453.579
where: short stacking energy: -198.065
Base-Backbone interact. energy: -0.740
local terms energy: -195.049061
where:
bonds (distance) C4'-P energy: -39.900
bonds (distance) P-C4' energy: -51.651
flat angles C4'-P-C4' energy: -41.141
flat angles P-C4'-P energy: -23.056
tors. eta vs tors. theta energy: -39.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -617.601435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.601435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.601435 (E_RNA)
where:
Base-Base interactions energy: -414.023
where: short stacking energy: -176.909
Base-Backbone interact. energy: -0.762
local terms energy: -202.816213
where:
bonds (distance) C4'-P energy: -34.407
bonds (distance) P-C4' energy: -47.738
flat angles C4'-P-C4' energy: -47.114
flat angles P-C4'-P energy: -33.335
tors. eta vs tors. theta energy: -40.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -542.995160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.995160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.995160 (E_RNA)
where:
Base-Base interactions energy: -366.389
where: short stacking energy: -164.301
Base-Backbone interact. energy: 1.117
local terms energy: -177.722846
where:
bonds (distance) C4'-P energy: -31.284
bonds (distance) P-C4' energy: -43.543
flat angles C4'-P-C4' energy: -48.921
flat angles P-C4'-P energy: -31.748
tors. eta vs tors. theta energy: -22.228
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: 9, replica: 3
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -437.716675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.716675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.716675 (E_RNA)
where:
Base-Base interactions energy: -273.439
where: short stacking energy: -125.003
Base-Backbone interact. energy: 0.298
local terms energy: -164.576052
where:
bonds (distance) C4'-P energy: -32.076
bonds (distance) P-C4' energy: -47.746
flat angles C4'-P-C4' energy: -43.907
flat angles P-C4'-P energy: -18.768
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -221.397506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.397506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.397506 (E_RNA)
where:
Base-Base interactions energy: -94.468
where: short stacking energy: -76.339
Base-Backbone interact. energy: -0.144
local terms energy: -126.785889
where:
bonds (distance) C4'-P energy: -40.275
bonds (distance) P-C4' energy: -38.030
flat angles C4'-P-C4' energy: -35.664
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -2.383
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: 10
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -863.058109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.058109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.058109 (E_RNA)
where:
Base-Base interactions energy: -607.484
where: short stacking energy: -234.252
Base-Backbone interact. energy: -1.018
local terms energy: -254.555412
where:
bonds (distance) C4'-P energy: -48.878
bonds (distance) P-C4' energy: -47.827
flat angles C4'-P-C4' energy: -54.312
flat angles P-C4'-P energy: -44.098
tors. eta vs tors. theta energy: -59.441
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: 355
Temperature: 0.950000
Total energy: -817.605353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.605353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.605353 (E_RNA)
where:
Base-Base interactions energy: -556.091
where: short stacking energy: -236.307
Base-Backbone interact. energy: -1.424
local terms energy: -260.090684
where:
bonds (distance) C4'-P energy: -44.318
bonds (distance) P-C4' energy: -47.995
flat angles C4'-P-C4' energy: -50.440
flat angles P-C4'-P energy: -46.942
tors. eta vs tors. theta energy: -70.396
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: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -794.477460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.477460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.477460 (E_RNA)
where:
Base-Base interactions energy: -530.031
where: short stacking energy: -249.020
Base-Backbone interact. energy: -0.163
local terms energy: -264.283112
where:
bonds (distance) C4'-P energy: -45.232
bonds (distance) P-C4' energy: -52.550
flat angles C4'-P-C4' energy: -55.719
flat angles P-C4'-P energy: -35.970
tors. eta vs tors. theta energy: -74.812
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: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -766.417751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.417751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.417751 (E_RNA)
where:
Base-Base interactions energy: -523.343
where: short stacking energy: -222.281
Base-Backbone interact. energy: 0.613
local terms energy: -243.688059
where:
bonds (distance) C4'-P energy: -39.907
bonds (distance) P-C4' energy: -48.284
flat angles C4'-P-C4' energy: -57.381
flat angles P-C4'-P energy: -37.899
tors. eta vs tors. theta energy: -60.217
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: 355
Temperature: 1.100000
Total energy: -738.359219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.359219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.359219 (E_RNA)
where:
Base-Base interactions energy: -518.786
where: short stacking energy: -222.440
Base-Backbone interact. energy: -0.690
local terms energy: -218.883026
where:
bonds (distance) C4'-P energy: -38.790
bonds (distance) P-C4' energy: -39.990
flat angles C4'-P-C4' energy: -53.000
flat angles P-C4'-P energy: -25.695
tors. eta vs tors. theta energy: -61.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -649.705186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.705186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.705186 (E_RNA)
where:
Base-Base interactions energy: -440.180
where: short stacking energy: -197.682
Base-Backbone interact. energy: -0.110
local terms energy: -209.414541
where:
bonds (distance) C4'-P energy: -38.923
bonds (distance) P-C4' energy: -45.223
flat angles C4'-P-C4' energy: -43.813
flat angles P-C4'-P energy: -38.713
tors. eta vs tors. theta energy: -42.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -612.118788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.118788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.118788 (E_RNA)
where:
Base-Base interactions energy: -417.392
where: short stacking energy: -177.886
Base-Backbone interact. energy: -2.579
local terms energy: -192.148373
where:
bonds (distance) C4'-P energy: -34.635
bonds (distance) P-C4' energy: -40.396
flat angles C4'-P-C4' energy: -50.393
flat angles P-C4'-P energy: -20.941
tors. eta vs tors. theta energy: -45.784
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: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -534.755698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.755698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.755698 (E_RNA)
where:
Base-Base interactions energy: -344.473
where: short stacking energy: -144.474
Base-Backbone interact. energy: -1.224
local terms energy: -189.058840
where:
bonds (distance) C4'-P energy: -41.599
bonds (distance) P-C4' energy: -42.831
flat angles C4'-P-C4' energy: -45.680
flat angles P-C4'-P energy: -31.990
tors. eta vs tors. theta energy: -26.959
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: 3
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -449.002792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.002792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.002792 (E_RNA)
where:
Base-Base interactions energy: -288.743
where: short stacking energy: -139.239
Base-Backbone interact. energy: 1.635
local terms energy: -161.894777
where:
bonds (distance) C4'-P energy: -30.613
bonds (distance) P-C4' energy: -43.914
flat angles C4'-P-C4' energy: -40.939
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -33.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -228.104285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.104285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.104285 (E_RNA)
where:
Base-Base interactions energy: -91.157
where: short stacking energy: -69.063
Base-Backbone interact. energy: -0.794
local terms energy: -136.152648
where:
bonds (distance) C4'-P energy: -31.630
bonds (distance) P-C4' energy: -49.316
flat angles C4'-P-C4' energy: -25.020
flat angles P-C4'-P energy: -29.090
tors. eta vs tors. theta energy: -1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -858.337631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.337631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.337631 (E_RNA)
where:
Base-Base interactions energy: -622.287
where: short stacking energy: -254.526
Base-Backbone interact. energy: -0.238
local terms energy: -235.813118
where:
bonds (distance) C4'-P energy: -43.864
bonds (distance) P-C4' energy: -52.249
flat angles C4'-P-C4' energy: -44.103
flat angles P-C4'-P energy: -35.621
tors. eta vs tors. theta energy: -59.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -812.913720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.913720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.913720 (E_RNA)
where:
Base-Base interactions energy: -555.724
where: short stacking energy: -229.117
Base-Backbone interact. energy: -1.780
local terms energy: -255.409337
where:
bonds (distance) C4'-P energy: -45.596
bonds (distance) P-C4' energy: -46.420
flat angles C4'-P-C4' energy: -56.763
flat angles P-C4'-P energy: -36.123
tors. eta vs tors. theta energy: -70.507
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: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -791.410808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.410808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.410808 (E_RNA)
where:
Base-Base interactions energy: -541.361
where: short stacking energy: -242.563
Base-Backbone interact. energy: -0.228
local terms energy: -249.821614
where:
bonds (distance) C4'-P energy: -43.408
bonds (distance) P-C4' energy: -39.417
flat angles C4'-P-C4' energy: -57.333
flat angles P-C4'-P energy: -35.534
tors. eta vs tors. theta energy: -74.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -736.614098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.614098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.614098 (E_RNA)
where:
Base-Base interactions energy: -507.013
where: short stacking energy: -225.215
Base-Backbone interact. energy: 1.429
local terms energy: -231.029791
where:
bonds (distance) C4'-P energy: -33.027
bonds (distance) P-C4' energy: -47.733
flat angles C4'-P-C4' energy: -49.487
flat angles P-C4'-P energy: -39.070
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: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -743.882104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.882104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.882104 (E_RNA)
where:
Base-Base interactions energy: -499.992
where: short stacking energy: -230.148
Base-Backbone interact. energy: -0.912
local terms energy: -242.977658
where:
bonds (distance) C4'-P energy: -39.956
bonds (distance) P-C4' energy: -46.345
flat angles C4'-P-C4' energy: -51.157
flat angles P-C4'-P energy: -31.986
tors. eta vs tors. theta energy: -73.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -653.006603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.006603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.006603 (E_RNA)
where:
Base-Base interactions energy: -442.906
where: short stacking energy: -186.613
Base-Backbone interact. energy: -1.597
local terms energy: -208.503398
where:
bonds (distance) C4'-P energy: -47.586
bonds (distance) P-C4' energy: -32.026
flat angles C4'-P-C4' energy: -55.697
flat angles P-C4'-P energy: -26.881
tors. eta vs tors. theta energy: -46.314
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: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -561.517911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.517911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.517911 (E_RNA)
where:
Base-Base interactions energy: -380.714
where: short stacking energy: -175.743
Base-Backbone interact. energy: 0.828
local terms energy: -181.631747
where:
bonds (distance) C4'-P energy: -39.107
bonds (distance) P-C4' energy: -39.317
flat angles C4'-P-C4' energy: -44.285
flat angles P-C4'-P energy: -23.711
tors. eta vs tors. theta energy: -35.212
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: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -617.487078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.487078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.487078 (E_RNA)
where:
Base-Base interactions energy: -412.853
where: short stacking energy: -171.378
Base-Backbone interact. energy: -0.549
local terms energy: -204.084916
where:
bonds (distance) C4'-P energy: -45.165
bonds (distance) P-C4' energy: -38.714
flat angles C4'-P-C4' energy: -49.937
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -48.404
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: 3
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -454.763817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.763817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.763817 (E_RNA)
where:
Base-Base interactions energy: -279.997
where: short stacking energy: -131.779
Base-Backbone interact. energy: -0.843
local terms energy: -173.924193
where:
bonds (distance) C4'-P energy: -40.372
bonds (distance) P-C4' energy: -36.201
flat angles C4'-P-C4' energy: -41.628
flat angles P-C4'-P energy: -32.525
tors. eta vs tors. theta energy: -23.199
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: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -239.335599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.335599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.335599 (E_RNA)
where:
Base-Base interactions energy: -104.889
where: short stacking energy: -78.321
Base-Backbone interact. energy: 1.707
local terms energy: -136.152967
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -34.987
flat angles C4'-P-C4' energy: -43.396
flat angles P-C4'-P energy: -25.010
tors. eta vs tors. theta energy: -2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -853.455160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.455160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.455160 (E_RNA)
where:
Base-Base interactions energy: -604.208
where: short stacking energy: -234.811
Base-Backbone interact. energy: -1.665
local terms energy: -247.582667
where:
bonds (distance) C4'-P energy: -42.134
bonds (distance) P-C4' energy: -55.988
flat angles C4'-P-C4' energy: -49.567
flat angles P-C4'-P energy: -42.037
tors. eta vs tors. theta energy: -57.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -798.618129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.618129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.618129 (E_RNA)
where:
Base-Base interactions energy: -555.093
where: short stacking energy: -238.326
Base-Backbone interact. energy: -0.579
local terms energy: -242.946602
where:
bonds (distance) C4'-P energy: -48.222
bonds (distance) P-C4' energy: -48.361
flat angles C4'-P-C4' energy: -49.196
flat angles P-C4'-P energy: -30.451
tors. eta vs tors. theta energy: -66.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -797.475259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.475259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.475259 (E_RNA)
where:
Base-Base interactions energy: -549.098
where: short stacking energy: -243.039
Base-Backbone interact. energy: -2.559
local terms energy: -245.818646
where:
bonds (distance) C4'-P energy: -43.760
bonds (distance) P-C4' energy: -44.974
flat angles C4'-P-C4' energy: -51.640
flat angles P-C4'-P energy: -38.480
tors. eta vs tors. theta energy: -66.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -754.718278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.718278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.718278 (E_RNA)
where:
Base-Base interactions energy: -534.972
where: short stacking energy: -209.597
Base-Backbone interact. energy: 1.671
local terms energy: -221.418067
where:
bonds (distance) C4'-P energy: -43.183
bonds (distance) P-C4' energy: -35.938
flat angles C4'-P-C4' energy: -51.128
flat angles P-C4'-P energy: -38.613
tors. eta vs tors. theta energy: -52.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -746.621631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.621631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.621631 (E_RNA)
where:
Base-Base interactions energy: -522.374
where: short stacking energy: -237.385
Base-Backbone interact. energy: -1.661
local terms energy: -222.586649
where:
bonds (distance) C4'-P energy: -43.440
bonds (distance) P-C4' energy: -32.670
flat angles C4'-P-C4' energy: -41.683
flat angles P-C4'-P energy: -36.873
tors. eta vs tors. theta energy: -67.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -675.548795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.548795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.548795 (E_RNA)
where:
Base-Base interactions energy: -456.461
where: short stacking energy: -204.166
Base-Backbone interact. energy: 0.322
local terms energy: -219.409609
where:
bonds (distance) C4'-P energy: -34.499
bonds (distance) P-C4' energy: -48.464
flat angles C4'-P-C4' energy: -48.693
flat angles P-C4'-P energy: -40.772
tors. eta vs tors. theta energy: -46.982
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: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -586.460838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.460838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.460838 (E_RNA)
where:
Base-Base interactions energy: -377.599
where: short stacking energy: -157.498
Base-Backbone interact. energy: -0.093
local terms energy: -208.768737
where:
bonds (distance) C4'-P energy: -39.482
bonds (distance) P-C4' energy: -41.716
flat angles C4'-P-C4' energy: -54.443
flat angles P-C4'-P energy: -35.410
tors. eta vs tors. theta energy: -37.718
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: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -627.158501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.158501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.158501 (E_RNA)
where:
Base-Base interactions energy: -421.090
where: short stacking energy: -181.629
Base-Backbone interact. energy: 0.220
local terms energy: -206.288489
where:
bonds (distance) C4'-P energy: -38.593
bonds (distance) P-C4' energy: -49.478
flat angles C4'-P-C4' energy: -40.932
flat angles P-C4'-P energy: -32.908
tors. eta vs tors. theta energy: -44.378
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: 3
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -405.503354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.503354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.503354 (E_RNA)
where:
Base-Base interactions energy: -241.669
where: short stacking energy: -140.054
Base-Backbone interact. energy: -1.406
local terms energy: -162.428017
where:
bonds (distance) C4'-P energy: -44.047
bonds (distance) P-C4' energy: -38.383
flat angles C4'-P-C4' energy: -39.131
flat angles P-C4'-P energy: -24.417
tors. eta vs tors. theta energy: -16.450
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: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -266.458525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.458525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.458525 (E_RNA)
where:
Base-Base interactions energy: -117.829
where: short stacking energy: -74.600
Base-Backbone interact. energy: -1.206
local terms energy: -147.423505
where:
bonds (distance) C4'-P energy: -32.063
bonds (distance) P-C4' energy: -35.569
flat angles C4'-P-C4' energy: -42.337
flat angles P-C4'-P energy: -28.699
tors. eta vs tors. theta energy: -8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -859.522164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.522164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.522164 (E_RNA)
where:
Base-Base interactions energy: -586.298
where: short stacking energy: -236.409
Base-Backbone interact. energy: 0.158
local terms energy: -273.382753
where:
bonds (distance) C4'-P energy: -56.460
bonds (distance) P-C4' energy: -57.682
flat angles C4'-P-C4' energy: -58.292
flat angles P-C4'-P energy: -40.735
tors. eta vs tors. theta energy: -60.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -794.321364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.321364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.321364 (E_RNA)
where:
Base-Base interactions energy: -548.416
where: short stacking energy: -245.329
Base-Backbone interact. energy: -0.691
local terms energy: -245.214127
where:
bonds (distance) C4'-P energy: -46.424
bonds (distance) P-C4' energy: -46.295
flat angles C4'-P-C4' energy: -53.213
flat angles P-C4'-P energy: -28.336
tors. eta vs tors. theta energy: -70.946
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: 6
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -793.685507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.685507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.685507 (E_RNA)
where:
Base-Base interactions energy: -549.082
where: short stacking energy: -228.836
Base-Backbone interact. energy: -1.878
local terms energy: -242.726120
where:
bonds (distance) C4'-P energy: -57.220
bonds (distance) P-C4' energy: -41.703
flat angles C4'-P-C4' energy: -44.144
flat angles P-C4'-P energy: -38.669
tors. eta vs tors. theta energy: -60.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -761.010029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.010029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.010029 (E_RNA)
where:
Base-Base interactions energy: -530.701
where: short stacking energy: -224.854
Base-Backbone interact. energy: -0.076
local terms energy: -230.232833
where:
bonds (distance) C4'-P energy: -49.844
bonds (distance) P-C4' energy: -43.033
flat angles C4'-P-C4' energy: -46.798
flat angles P-C4'-P energy: -26.785
tors. eta vs tors. theta energy: -63.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -666.002900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.002900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.002900 (E_RNA)
where:
Base-Base interactions energy: -435.384
where: short stacking energy: -201.196
Base-Backbone interact. energy: 1.122
local terms energy: -231.740528
where:
bonds (distance) C4'-P energy: -48.873
bonds (distance) P-C4' energy: -46.659
flat angles C4'-P-C4' energy: -53.874
flat angles P-C4'-P energy: -34.716
tors. eta vs tors. theta energy: -47.618
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: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -705.898444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.898444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.898444 (E_RNA)
where:
Base-Base interactions energy: -501.363
where: short stacking energy: -208.176
Base-Backbone interact. energy: -0.107
local terms energy: -204.428680
where:
bonds (distance) C4'-P energy: -43.842
bonds (distance) P-C4' energy: -37.991
flat angles C4'-P-C4' energy: -38.185
flat angles P-C4'-P energy: -35.546
tors. eta vs tors. theta energy: -48.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -653.472248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.472248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.472248 (E_RNA)
where:
Base-Base interactions energy: -451.012
where: short stacking energy: -196.722
Base-Backbone interact. energy: -1.351
local terms energy: -201.109224
where:
bonds (distance) C4'-P energy: -44.913
bonds (distance) P-C4' energy: -43.437
flat angles C4'-P-C4' energy: -41.748
flat angles P-C4'-P energy: -23.208
tors. eta vs tors. theta energy: -47.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -536.598832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.598832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.598832 (E_RNA)
where:
Base-Base interactions energy: -367.652
where: short stacking energy: -160.645
Base-Backbone interact. energy: -1.856
local terms energy: -167.090857
where:
bonds (distance) C4'-P energy: -43.027
bonds (distance) P-C4' energy: -32.414
flat angles C4'-P-C4' energy: -27.179
flat angles P-C4'-P energy: -33.487
tors. eta vs tors. theta energy: -30.984
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: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -407.711317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.711317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.711317 (E_RNA)
where:
Base-Base interactions energy: -251.572
where: short stacking energy: -119.032
Base-Backbone interact. energy: -1.332
local terms energy: -154.807405
where:
bonds (distance) C4'-P energy: -39.261
bonds (distance) P-C4' energy: -41.429
flat angles C4'-P-C4' energy: -31.485
flat angles P-C4'-P energy: -18.617
tors. eta vs tors. theta energy: -24.015
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: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -276.856448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.856448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.856448 (E_RNA)
where:
Base-Base interactions energy: -134.770
where: short stacking energy: -81.893
Base-Backbone interact. energy: -1.627
local terms energy: -140.459295
where:
bonds (distance) C4'-P energy: -47.855
bonds (distance) P-C4' energy: -35.853
flat angles C4'-P-C4' energy: -36.317
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -15.308
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: 359
Temperature: 0.900000
Total energy: -858.447540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.447540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.447540 (E_RNA)
where:
Base-Base interactions energy: -606.738
where: short stacking energy: -247.867
Base-Backbone interact. energy: -1.888
local terms energy: -249.821536
where:
bonds (distance) C4'-P energy: -45.562
bonds (distance) P-C4' energy: -48.134
flat angles C4'-P-C4' energy: -54.887
flat angles P-C4'-P energy: -39.509
tors. eta vs tors. theta energy: -61.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -806.805391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.805391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.805391 (E_RNA)
where:
Base-Base interactions energy: -541.612
where: short stacking energy: -242.710
Base-Backbone interact. energy: -2.300
local terms energy: -262.893732
where:
bonds (distance) C4'-P energy: -45.698
bonds (distance) P-C4' energy: -52.060
flat angles C4'-P-C4' energy: -53.469
flat angles P-C4'-P energy: -43.003
tors. eta vs tors. theta energy: -68.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -784.514373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.514373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.514373 (E_RNA)
where:
Base-Base interactions energy: -535.872
where: short stacking energy: -233.738
Base-Backbone interact. energy: 1.169
local terms energy: -249.811959
where:
bonds (distance) C4'-P energy: -43.496
bonds (distance) P-C4' energy: -49.576
flat angles C4'-P-C4' energy: -52.070
flat angles P-C4'-P energy: -33.384
tors. eta vs tors. theta energy: -71.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -758.498067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.498067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.498067 (E_RNA)
where:
Base-Base interactions energy: -535.492
where: short stacking energy: -235.823
Base-Backbone interact. energy: -1.159
local terms energy: -221.846799
where:
bonds (distance) C4'-P energy: -38.704
bonds (distance) P-C4' energy: -42.603
flat angles C4'-P-C4' energy: -50.220
flat angles P-C4'-P energy: -26.923
tors. eta vs tors. theta energy: -63.397
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: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -665.294182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.294182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.294182 (E_RNA)
where:
Base-Base interactions energy: -439.184
where: short stacking energy: -195.895
Base-Backbone interact. energy: -0.781
local terms energy: -225.329195
where:
bonds (distance) C4'-P energy: -46.816
bonds (distance) P-C4' energy: -47.413
flat angles C4'-P-C4' energy: -48.273
flat angles P-C4'-P energy: -35.873
tors. eta vs tors. theta energy: -46.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -647.539973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.539973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.539973 (E_RNA)
where:
Base-Base interactions energy: -438.070
where: short stacking energy: -184.832
Base-Backbone interact. energy: -0.440
local terms energy: -209.029692
where:
bonds (distance) C4'-P energy: -38.217
bonds (distance) P-C4' energy: -47.167
flat angles C4'-P-C4' energy: -49.597
flat angles P-C4'-P energy: -30.041
tors. eta vs tors. theta energy: -44.008
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: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -715.760493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.760493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.760493 (E_RNA)
where:
Base-Base interactions energy: -480.371
where: short stacking energy: -210.372
Base-Backbone interact. energy: -0.099
local terms energy: -235.290335
where:
bonds (distance) C4'-P energy: -36.178
bonds (distance) P-C4' energy: -43.826
flat angles C4'-P-C4' energy: -51.259
flat angles P-C4'-P energy: -35.302
tors. eta vs tors. theta energy: -68.725
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: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -576.036021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.036021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.036021 (E_RNA)
where:
Base-Base interactions energy: -397.573
where: short stacking energy: -174.783
Base-Backbone interact. energy: 1.375
local terms energy: -179.837431
where:
bonds (distance) C4'-P energy: -33.322
bonds (distance) P-C4' energy: -30.389
flat angles C4'-P-C4' energy: -38.644
flat angles P-C4'-P energy: -25.511
tors. eta vs tors. theta energy: -51.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -423.976839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.976839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.976839 (E_RNA)
where:
Base-Base interactions energy: -261.174
where: short stacking energy: -144.242
Base-Backbone interact. energy: -1.921
local terms energy: -160.881931
where:
bonds (distance) C4'-P energy: -32.006
bonds (distance) P-C4' energy: -43.094
flat angles C4'-P-C4' energy: -40.457
flat angles P-C4'-P energy: -19.866
tors. eta vs tors. theta energy: -25.459
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: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -242.311211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.311211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.311211 (E_RNA)
where:
Base-Base interactions energy: -83.693
where: short stacking energy: -75.911
Base-Backbone interact. energy: -0.222
local terms energy: -158.396358
where:
bonds (distance) C4'-P energy: -33.042
bonds (distance) P-C4' energy: -54.326
flat angles C4'-P-C4' energy: -42.516
flat angles P-C4'-P energy: -26.120
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -864.811416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.811416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.811416 (E_RNA)
where:
Base-Base interactions energy: -608.641
where: short stacking energy: -238.309
Base-Backbone interact. energy: -0.208
local terms energy: -255.962660
where:
bonds (distance) C4'-P energy: -48.016
bonds (distance) P-C4' energy: -46.882
flat angles C4'-P-C4' energy: -60.102
flat angles P-C4'-P energy: -38.368
tors. eta vs tors. theta energy: -62.594
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: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -808.156515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.156515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.156515 (E_RNA)
where:
Base-Base interactions energy: -548.816
where: short stacking energy: -233.610
Base-Backbone interact. energy: -1.994
local terms energy: -257.346606
where:
bonds (distance) C4'-P energy: -47.945
bonds (distance) P-C4' energy: -46.601
flat angles C4'-P-C4' energy: -56.436
flat angles P-C4'-P energy: -36.194
tors. eta vs tors. theta energy: -70.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -770.012763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.012763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.012763 (E_RNA)
where:
Base-Base interactions energy: -519.620
where: short stacking energy: -235.737
Base-Backbone interact. energy: -0.148
local terms energy: -250.245111
where:
bonds (distance) C4'-P energy: -35.669
bonds (distance) P-C4' energy: -42.117
flat angles C4'-P-C4' energy: -57.587
flat angles P-C4'-P energy: -43.775
tors. eta vs tors. theta energy: -71.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -777.389113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.389113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.389113 (E_RNA)
where:
Base-Base interactions energy: -546.578
where: short stacking energy: -233.258
Base-Backbone interact. energy: -1.042
local terms energy: -229.769772
where:
bonds (distance) C4'-P energy: -34.322
bonds (distance) P-C4' energy: -48.279
flat angles C4'-P-C4' energy: -51.382
flat angles P-C4'-P energy: -40.578
tors. eta vs tors. theta energy: -55.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -691.291611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.291611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.291611 (E_RNA)
where:
Base-Base interactions energy: -469.605
where: short stacking energy: -190.960
Base-Backbone interact. energy: -0.995
local terms energy: -220.691747
where:
bonds (distance) C4'-P energy: -43.150
bonds (distance) P-C4' energy: -40.876
flat angles C4'-P-C4' energy: -50.120
flat angles P-C4'-P energy: -31.808
tors. eta vs tors. theta energy: -54.737
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: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -670.791678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.791678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.791678 (E_RNA)
where:
Base-Base interactions energy: -453.474
where: short stacking energy: -212.172
Base-Backbone interact. energy: -1.117
local terms energy: -216.201124
where:
bonds (distance) C4'-P energy: -37.893
bonds (distance) P-C4' energy: -40.823
flat angles C4'-P-C4' energy: -45.888
flat angles P-C4'-P energy: -35.727
tors. eta vs tors. theta energy: -55.870
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: 7, replica: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -678.447563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.447563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.447563 (E_RNA)
where:
Base-Base interactions energy: -478.069
where: short stacking energy: -206.059
Base-Backbone interact. energy: -0.533
local terms energy: -199.845048
where:
bonds (distance) C4'-P energy: -33.520
bonds (distance) P-C4' energy: -40.227
flat angles C4'-P-C4' energy: -50.861
flat angles P-C4'-P energy: -27.562
tors. eta vs tors. theta energy: -47.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -572.663399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.663399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.663399 (E_RNA)
where:
Base-Base interactions energy: -398.250
where: short stacking energy: -157.207
Base-Backbone interact. energy: -3.701
local terms energy: -170.711680
where:
bonds (distance) C4'-P energy: -33.765
bonds (distance) P-C4' energy: -40.854
flat angles C4'-P-C4' energy: -40.920
flat angles P-C4'-P energy: -21.425
tors. eta vs tors. theta energy: -33.747
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: 9, replica: 3
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -440.617366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.617366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.617366 (E_RNA)
where:
Base-Base interactions energy: -264.511
where: short stacking energy: -131.548
Base-Backbone interact. energy: -0.424
local terms energy: -175.683001
where:
bonds (distance) C4'-P energy: -37.709
bonds (distance) P-C4' energy: -48.166
flat angles C4'-P-C4' energy: -41.946
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: -24.467
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: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -215.176123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.176123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.176123 (E_RNA)
where:
Base-Base interactions energy: -74.023
where: short stacking energy: -66.425
Base-Backbone interact. energy: -0.151
local terms energy: -141.002454
where:
bonds (distance) C4'-P energy: -31.983
bonds (distance) P-C4' energy: -42.654
flat angles C4'-P-C4' energy: -41.320
flat angles P-C4'-P energy: -26.900
tors. eta vs tors. theta energy: 1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -842.499490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.499490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.499490 (E_RNA)
where:
Base-Base interactions energy: -592.574
where: short stacking energy: -237.533
Base-Backbone interact. energy: -2.655
local terms energy: -247.270917
where:
bonds (distance) C4'-P energy: -40.077
bonds (distance) P-C4' energy: -54.979
flat angles C4'-P-C4' energy: -56.277
flat angles P-C4'-P energy: -33.934
tors. eta vs tors. theta energy: -62.004
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: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -801.889594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.889594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.889594 (E_RNA)
where:
Base-Base interactions energy: -536.778
where: short stacking energy: -251.974
Base-Backbone interact. energy: -0.572
local terms energy: -264.539511
where:
bonds (distance) C4'-P energy: -49.254
bonds (distance) P-C4' energy: -52.653
flat angles C4'-P-C4' energy: -47.110
flat angles P-C4'-P energy: -41.577
tors. eta vs tors. theta energy: -73.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -805.186659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.186659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.186659 (E_RNA)
where:
Base-Base interactions energy: -561.065
where: short stacking energy: -245.529
Base-Backbone interact. energy: -0.989
local terms energy: -243.132038
where:
bonds (distance) C4'-P energy: -42.829
bonds (distance) P-C4' energy: -47.774
flat angles C4'-P-C4' energy: -54.946
flat angles P-C4'-P energy: -26.991
tors. eta vs tors. theta energy: -70.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -768.859117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.859117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.859117 (E_RNA)
where:
Base-Base interactions energy: -523.805
where: short stacking energy: -231.903
Base-Backbone interact. energy: 0.868
local terms energy: -245.921606
where:
bonds (distance) C4'-P energy: -43.992
bonds (distance) P-C4' energy: -53.723
flat angles C4'-P-C4' energy: -52.781
flat angles P-C4'-P energy: -34.514
tors. eta vs tors. theta energy: -60.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -708.362855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.362855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.362855 (E_RNA)
where:
Base-Base interactions energy: -473.860
where: short stacking energy: -221.043
Base-Backbone interact. energy: 0.040
local terms energy: -234.542591
where:
bonds (distance) C4'-P energy: -45.756
bonds (distance) P-C4' energy: -45.087
flat angles C4'-P-C4' energy: -48.430
flat angles P-C4'-P energy: -36.104
tors. eta vs tors. theta energy: -59.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -698.997842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.997842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.997842 (E_RNA)
where:
Base-Base interactions energy: -468.720
where: short stacking energy: -204.400
Base-Backbone interact. energy: -0.818
local terms energy: -229.459428
where:
bonds (distance) C4'-P energy: -39.772
bonds (distance) P-C4' energy: -48.859
flat angles C4'-P-C4' energy: -51.598
flat angles P-C4'-P energy: -25.945
tors. eta vs tors. theta energy: -63.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -626.934399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.934399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.934399 (E_RNA)
where:
Base-Base interactions energy: -427.666
where: short stacking energy: -187.813
Base-Backbone interact. energy: -0.303
local terms energy: -198.965374
where:
bonds (distance) C4'-P energy: -41.924
bonds (distance) P-C4' energy: -33.669
flat angles C4'-P-C4' energy: -51.441
flat angles P-C4'-P energy: -28.303
tors. eta vs tors. theta energy: -43.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -570.469813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.469813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.469813 (E_RNA)
where:
Base-Base interactions energy: -382.679
where: short stacking energy: -163.192
Base-Backbone interact. energy: -0.904
local terms energy: -186.886723
where:
bonds (distance) C4'-P energy: -31.225
bonds (distance) P-C4' energy: -37.887
flat angles C4'-P-C4' energy: -45.080
flat angles P-C4'-P energy: -27.846
tors. eta vs tors. theta energy: -44.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -428.747472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.747472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.747472 (E_RNA)
where:
Base-Base interactions energy: -247.374
where: short stacking energy: -126.812
Base-Backbone interact. energy: 0.492
local terms energy: -181.865287
where:
bonds (distance) C4'-P energy: -30.650
bonds (distance) P-C4' energy: -48.264
flat angles C4'-P-C4' energy: -44.567
flat angles P-C4'-P energy: -32.255
tors. eta vs tors. theta energy: -26.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -214.430634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.430634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.430634 (E_RNA)
where:
Base-Base interactions energy: -77.979
where: short stacking energy: -58.410
Base-Backbone interact. energy: -1.044
local terms energy: -135.407856
where:
bonds (distance) C4'-P energy: -32.350
bonds (distance) P-C4' energy: -48.847
flat angles C4'-P-C4' energy: -37.327
flat angles P-C4'-P energy: -24.301
tors. eta vs tors. theta energy: 7.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -850.539981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.539981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.539981 (E_RNA)
where:
Base-Base interactions energy: -603.885
where: short stacking energy: -233.241
Base-Backbone interact. energy: -0.972
local terms energy: -245.682861
where:
bonds (distance) C4'-P energy: -49.101
bonds (distance) P-C4' energy: -51.776
flat angles C4'-P-C4' energy: -53.741
flat angles P-C4'-P energy: -31.027
tors. eta vs tors. theta energy: -60.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -809.767223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.767223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.767223 (E_RNA)
where:
Base-Base interactions energy: -548.452
where: short stacking energy: -249.018
Base-Backbone interact. energy: -0.389
local terms energy: -260.926180
where:
bonds (distance) C4'-P energy: -47.301
bonds (distance) P-C4' energy: -45.310
flat angles C4'-P-C4' energy: -53.697
flat angles P-C4'-P energy: -40.766
tors. eta vs tors. theta energy: -73.853
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: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -827.175703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.175703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.175703 (E_RNA)
where:
Base-Base interactions energy: -562.932
where: short stacking energy: -241.180
Base-Backbone interact. energy: -1.323
local terms energy: -262.920104
where:
bonds (distance) C4'-P energy: -48.058
bonds (distance) P-C4' energy: -48.635
flat angles C4'-P-C4' energy: -56.299
flat angles P-C4'-P energy: -38.077
tors. eta vs tors. theta energy: -71.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -769.218731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.218731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.218731 (E_RNA)
where:
Base-Base interactions energy: -539.891
where: short stacking energy: -227.748
Base-Backbone interact. energy: 0.603
local terms energy: -229.931109
where:
bonds (distance) C4'-P energy: -38.600
bonds (distance) P-C4' energy: -48.837
flat angles C4'-P-C4' energy: -48.531
flat angles P-C4'-P energy: -35.165
tors. eta vs tors. theta energy: -58.799
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: 362
Temperature: 1.100000
Total energy: -756.538210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.538210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.538210 (E_RNA)
where:
Base-Base interactions energy: -525.123
where: short stacking energy: -230.097
Base-Backbone interact. energy: -0.322
local terms energy: -231.092751
where:
bonds (distance) C4'-P energy: -43.090
bonds (distance) P-C4' energy: -47.684
flat angles C4'-P-C4' energy: -47.005
flat angles P-C4'-P energy: -28.368
tors. eta vs tors. theta energy: -64.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -698.563485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.563485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.563485 (E_RNA)
where:
Base-Base interactions energy: -460.771
where: short stacking energy: -215.800
Base-Backbone interact. energy: 0.113
local terms energy: -237.905430
where:
bonds (distance) C4'-P energy: -47.151
bonds (distance) P-C4' energy: -44.765
flat angles C4'-P-C4' energy: -51.408
flat angles P-C4'-P energy: -31.195
tors. eta vs tors. theta energy: -63.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -639.707161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.707161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.707161 (E_RNA)
where:
Base-Base interactions energy: -430.406
where: short stacking energy: -177.880
Base-Backbone interact. energy: -0.998
local terms energy: -208.303694
where:
bonds (distance) C4'-P energy: -40.920
bonds (distance) P-C4' energy: -47.125
flat angles C4'-P-C4' energy: -47.314
flat angles P-C4'-P energy: -26.080
tors. eta vs tors. theta energy: -46.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -583.436508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.436508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.436508 (E_RNA)
where:
Base-Base interactions energy: -409.248
where: short stacking energy: -166.930
Base-Backbone interact. energy: -0.430
local terms energy: -173.758249
where:
bonds (distance) C4'-P energy: -37.242
bonds (distance) P-C4' energy: -25.907
flat angles C4'-P-C4' energy: -39.746
flat angles P-C4'-P energy: -25.477
tors. eta vs tors. theta energy: -45.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -433.099752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.099752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.099752 (E_RNA)
where:
Base-Base interactions energy: -258.686
where: short stacking energy: -124.545
Base-Backbone interact. energy: -1.543
local terms energy: -172.870236
where:
bonds (distance) C4'-P energy: -47.723
bonds (distance) P-C4' energy: -40.894
flat angles C4'-P-C4' energy: -40.246
flat angles P-C4'-P energy: -19.339
tors. eta vs tors. theta energy: -24.668
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: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -229.624906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.624906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.624906 (E_RNA)
where:
Base-Base interactions energy: -100.414
where: short stacking energy: -67.591
Base-Backbone interact. energy: 0.360
local terms energy: -129.571139
where:
bonds (distance) C4'-P energy: -36.530
bonds (distance) P-C4' energy: -44.611
flat angles C4'-P-C4' energy: -35.105
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: 3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -847.301054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.301054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.301054 (E_RNA)
where:
Base-Base interactions energy: -599.642
where: short stacking energy: -252.129
Base-Backbone interact. energy: -2.138
local terms energy: -245.520751
where:
bonds (distance) C4'-P energy: -51.584
bonds (distance) P-C4' energy: -46.169
flat angles C4'-P-C4' energy: -43.987
flat angles P-C4'-P energy: -40.540
tors. eta vs tors. theta energy: -63.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -827.499102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.499102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.499102 (E_RNA)
where:
Base-Base interactions energy: -576.249
where: short stacking energy: -246.045
Base-Backbone interact. energy: -1.103
local terms energy: -250.147020
where:
bonds (distance) C4'-P energy: -45.453
bonds (distance) P-C4' energy: -46.016
flat angles C4'-P-C4' energy: -54.860
flat angles P-C4'-P energy: -35.256
tors. eta vs tors. theta energy: -68.562
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: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -807.554622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.554622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.554622 (E_RNA)
where:
Base-Base interactions energy: -540.747
where: short stacking energy: -254.613
Base-Backbone interact. energy: -0.958
local terms energy: -265.849662
where:
bonds (distance) C4'-P energy: -49.230
bonds (distance) P-C4' energy: -45.430
flat angles C4'-P-C4' energy: -58.422
flat angles P-C4'-P energy: -35.554
tors. eta vs tors. theta energy: -77.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -773.810477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.810477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.810477 (E_RNA)
where:
Base-Base interactions energy: -518.599
where: short stacking energy: -242.153
Base-Backbone interact. energy: -0.322
local terms energy: -254.889399
where:
bonds (distance) C4'-P energy: -40.669
bonds (distance) P-C4' energy: -48.633
flat angles C4'-P-C4' energy: -56.302
flat angles P-C4'-P energy: -39.515
tors. eta vs tors. theta energy: -69.771
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: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -735.718149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.718149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.718149 (E_RNA)
where:
Base-Base interactions energy: -514.219
where: short stacking energy: -198.590
Base-Backbone interact. energy: -0.156
local terms energy: -221.342817
where:
bonds (distance) C4'-P energy: -42.784
bonds (distance) P-C4' energy: -47.134
flat angles C4'-P-C4' energy: -50.601
flat angles P-C4'-P energy: -29.894
tors. eta vs tors. theta energy: -50.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -667.449374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.449374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.449374 (E_RNA)
where:
Base-Base interactions energy: -454.642
where: short stacking energy: -202.324
Base-Backbone interact. energy: -0.326
local terms energy: -212.481438
where:
bonds (distance) C4'-P energy: -47.277
bonds (distance) P-C4' energy: -45.958
flat angles C4'-P-C4' energy: -40.581
flat angles P-C4'-P energy: -28.532
tors. eta vs tors. theta energy: -50.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -650.314178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.314178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.314178 (E_RNA)
where:
Base-Base interactions energy: -446.574
where: short stacking energy: -189.852
Base-Backbone interact. energy: -1.415
local terms energy: -202.325009
where:
bonds (distance) C4'-P energy: -43.185
bonds (distance) P-C4' energy: -45.436
flat angles C4'-P-C4' energy: -40.329
flat angles P-C4'-P energy: -24.504
tors. eta vs tors. theta energy: -48.871
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: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -551.026471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.026471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.026471 (E_RNA)
where:
Base-Base interactions energy: -366.126
where: short stacking energy: -169.565
Base-Backbone interact. energy: -1.296
local terms energy: -183.604524
where:
bonds (distance) C4'-P energy: -33.913
bonds (distance) P-C4' energy: -39.627
flat angles C4'-P-C4' energy: -38.301
flat angles P-C4'-P energy: -30.909
tors. eta vs tors. theta energy: -40.854
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: 3
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -432.087935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.087935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.087935 (E_RNA)
where:
Base-Base interactions energy: -266.008
where: short stacking energy: -138.861
Base-Backbone interact. energy: -0.346
local terms energy: -165.733430
where:
bonds (distance) C4'-P energy: -41.934
bonds (distance) P-C4' energy: -33.979
flat angles C4'-P-C4' energy: -43.632
flat angles P-C4'-P energy: -21.973
tors. eta vs tors. theta energy: -24.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -241.658186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.658186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.658186 (E_RNA)
where:
Base-Base interactions energy: -103.585
where: short stacking energy: -70.687
Base-Backbone interact. energy: -0.800
local terms energy: -137.273329
where:
bonds (distance) C4'-P energy: -39.593
bonds (distance) P-C4' energy: -40.620
flat angles C4'-P-C4' energy: -41.426
flat angles P-C4'-P energy: -20.137
tors. eta vs tors. theta energy: 4.503
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: 364
Temperature: 0.900000
Total energy: -865.137169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.137169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.137169 (E_RNA)
where:
Base-Base interactions energy: -612.393
where: short stacking energy: -257.678
Base-Backbone interact. energy: -1.226
local terms energy: -251.517968
where:
bonds (distance) C4'-P energy: -49.949
bonds (distance) P-C4' energy: -41.515
flat angles C4'-P-C4' energy: -55.326
flat angles P-C4'-P energy: -40.528
tors. eta vs tors. theta energy: -64.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -846.357870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.357870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.357870 (E_RNA)
where:
Base-Base interactions energy: -576.817
where: short stacking energy: -241.940
Base-Backbone interact. energy: -2.705
local terms energy: -266.835511
where:
bonds (distance) C4'-P energy: -52.833
bonds (distance) P-C4' energy: -50.633
flat angles C4'-P-C4' energy: -56.818
flat angles P-C4'-P energy: -38.480
tors. eta vs tors. theta energy: -68.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -783.748507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.748507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.748507 (E_RNA)
where:
Base-Base interactions energy: -538.686
where: short stacking energy: -231.938
Base-Backbone interact. energy: 0.086
local terms energy: -245.148633
where:
bonds (distance) C4'-P energy: -54.728
bonds (distance) P-C4' energy: -46.113
flat angles C4'-P-C4' energy: -48.643
flat angles P-C4'-P energy: -29.698
tors. eta vs tors. theta energy: -65.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -753.245179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.245179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.245179 (E_RNA)
where:
Base-Base interactions energy: -503.933
where: short stacking energy: -241.843
Base-Backbone interact. energy: -0.045
local terms energy: -249.266913
where:
bonds (distance) C4'-P energy: -46.344
bonds (distance) P-C4' energy: -31.469
flat angles C4'-P-C4' energy: -51.447
flat angles P-C4'-P energy: -42.957
tors. eta vs tors. theta energy: -77.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -677.817985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.817985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.817985 (E_RNA)
where:
Base-Base interactions energy: -456.595
where: short stacking energy: -203.094
Base-Backbone interact. energy: -0.792
local terms energy: -220.431860
where:
bonds (distance) C4'-P energy: -41.695
bonds (distance) P-C4' energy: -35.657
flat angles C4'-P-C4' energy: -52.746
flat angles P-C4'-P energy: -33.899
tors. eta vs tors. theta energy: -56.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -702.032303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.032303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.032303 (E_RNA)
where:
Base-Base interactions energy: -495.246
where: short stacking energy: -217.210
Base-Backbone interact. energy: -0.448
local terms energy: -206.338569
where:
bonds (distance) C4'-P energy: -39.289
bonds (distance) P-C4' energy: -35.966
flat angles C4'-P-C4' energy: -44.176
flat angles P-C4'-P energy: -34.288
tors. eta vs tors. theta energy: -52.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -615.201337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.201337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.201337 (E_RNA)
where:
Base-Base interactions energy: -423.883
where: short stacking energy: -174.503
Base-Backbone interact. energy: -1.318
local terms energy: -189.999456
where:
bonds (distance) C4'-P energy: -33.983
bonds (distance) P-C4' energy: -41.567
flat angles C4'-P-C4' energy: -46.765
flat angles P-C4'-P energy: -28.074
tors. eta vs tors. theta energy: -39.610
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: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -568.093106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.093106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.093106 (E_RNA)
where:
Base-Base interactions energy: -382.147
where: short stacking energy: -167.511
Base-Backbone interact. energy: -2.409
local terms energy: -183.537179
where:
bonds (distance) C4'-P energy: -40.703
bonds (distance) P-C4' energy: -37.097
flat angles C4'-P-C4' energy: -34.517
flat angles P-C4'-P energy: -35.020
tors. eta vs tors. theta energy: -36.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -386.979013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.979013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.979013 (E_RNA)
where:
Base-Base interactions energy: -236.222
where: short stacking energy: -114.746
Base-Backbone interact. energy: -1.047
local terms energy: -149.710485
where:
bonds (distance) C4'-P energy: -38.741
bonds (distance) P-C4' energy: -32.339
flat angles C4'-P-C4' energy: -38.929
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -11.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -263.476251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.476251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.476251 (E_RNA)
where:
Base-Base interactions energy: -137.923
where: short stacking energy: -91.351
Base-Backbone interact. energy: -1.555
local terms energy: -123.998676
where:
bonds (distance) C4'-P energy: -37.245
bonds (distance) P-C4' energy: -50.408
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: 1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -853.281375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.281375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.281375 (E_RNA)
where:
Base-Base interactions energy: -598.357
where: short stacking energy: -247.282
Base-Backbone interact. energy: 1.366
local terms energy: -256.290030
where:
bonds (distance) C4'-P energy: -49.144
bonds (distance) P-C4' energy: -53.745
flat angles C4'-P-C4' energy: -54.801
flat angles P-C4'-P energy: -35.921
tors. eta vs tors. theta energy: -62.679
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: 2, replica: 6
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -839.803226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.803226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.803226 (E_RNA)
where:
Base-Base interactions energy: -580.868
where: short stacking energy: -244.154
Base-Backbone interact. energy: -1.874
local terms energy: -257.061496
where:
bonds (distance) C4'-P energy: -47.207
bonds (distance) P-C4' energy: -51.255
flat angles C4'-P-C4' energy: -45.015
flat angles P-C4'-P energy: -39.926
tors. eta vs tors. theta energy: -73.658
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: 365
Temperature: 1.000000
Total energy: -770.151308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.151308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.151308 (E_RNA)
where:
Base-Base interactions energy: -518.258
where: short stacking energy: -247.843
Base-Backbone interact. energy: -0.683
local terms energy: -251.210405
where:
bonds (distance) C4'-P energy: -49.070
bonds (distance) P-C4' energy: -48.558
flat angles C4'-P-C4' energy: -49.403
flat angles P-C4'-P energy: -36.865
tors. eta vs tors. theta energy: -67.314
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: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -761.435778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.435778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.435778 (E_RNA)
where:
Base-Base interactions energy: -510.552
where: short stacking energy: -228.557
Base-Backbone interact. energy: -1.214
local terms energy: -249.670069
where:
bonds (distance) C4'-P energy: -35.983
bonds (distance) P-C4' energy: -49.963
flat angles C4'-P-C4' energy: -59.459
flat angles P-C4'-P energy: -31.307
tors. eta vs tors. theta energy: -72.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -687.067670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.067670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.067670 (E_RNA)
where:
Base-Base interactions energy: -451.031
where: short stacking energy: -205.824
Base-Backbone interact. energy: -1.156
local terms energy: -234.879945
where:
bonds (distance) C4'-P energy: -45.722
bonds (distance) P-C4' energy: -45.943
flat angles C4'-P-C4' energy: -51.388
flat angles P-C4'-P energy: -35.358
tors. eta vs tors. theta energy: -56.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -713.250889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.250889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.250889 (E_RNA)
where:
Base-Base interactions energy: -492.975
where: short stacking energy: -196.645
Base-Backbone interact. energy: 2.433
local terms energy: -222.709133
where:
bonds (distance) C4'-P energy: -31.331
bonds (distance) P-C4' energy: -45.818
flat angles C4'-P-C4' energy: -53.587
flat angles P-C4'-P energy: -37.384
tors. eta vs tors. theta energy: -54.588
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: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -634.058688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.058688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.058688 (E_RNA)
where:
Base-Base interactions energy: -425.023
where: short stacking energy: -178.500
Base-Backbone interact. energy: -0.828
local terms energy: -208.207381
where:
bonds (distance) C4'-P energy: -41.319
bonds (distance) P-C4' energy: -41.849
flat angles C4'-P-C4' energy: -41.294
flat angles P-C4'-P energy: -34.192
tors. eta vs tors. theta energy: -49.553
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: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -583.689200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.689200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.689200 (E_RNA)
where:
Base-Base interactions energy: -406.909
where: short stacking energy: -173.161
Base-Backbone interact. energy: -0.681
local terms energy: -176.098405
where:
bonds (distance) C4'-P energy: -33.369
bonds (distance) P-C4' energy: -49.946
flat angles C4'-P-C4' energy: -29.154
flat angles P-C4'-P energy: -29.984
tors. eta vs tors. theta energy: -33.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -399.609279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.609279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.609279 (E_RNA)
where:
Base-Base interactions energy: -230.255
where: short stacking energy: -103.041
Base-Backbone interact. energy: -0.483
local terms energy: -168.871221
where:
bonds (distance) C4'-P energy: -42.044
bonds (distance) P-C4' energy: -44.978
flat angles C4'-P-C4' energy: -37.887
flat angles P-C4'-P energy: -25.229
tors. eta vs tors. theta energy: -18.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -292.466443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.466443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.466443 (E_RNA)
where:
Base-Base interactions energy: -143.813
where: short stacking energy: -88.781
Base-Backbone interact. energy: 0.778
local terms energy: -149.432229
where:
bonds (distance) C4'-P energy: -39.370
bonds (distance) P-C4' energy: -48.166
flat angles C4'-P-C4' energy: -29.621
flat angles P-C4'-P energy: -25.331
tors. eta vs tors. theta energy: -6.943
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: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -863.061724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.061724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.061724 (E_RNA)
where:
Base-Base interactions energy: -614.813
where: short stacking energy: -244.397
Base-Backbone interact. energy: -1.806
local terms energy: -246.442967
where:
bonds (distance) C4'-P energy: -49.732
bonds (distance) P-C4' energy: -33.606
flat angles C4'-P-C4' energy: -58.717
flat angles P-C4'-P energy: -42.878
tors. eta vs tors. theta energy: -61.510
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: 6
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -825.195294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.195294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.195294 (E_RNA)
where:
Base-Base interactions energy: -585.672
where: short stacking energy: -244.067
Base-Backbone interact. energy: -0.727
local terms energy: -238.796478
where:
bonds (distance) C4'-P energy: -49.081
bonds (distance) P-C4' energy: -35.771
flat angles C4'-P-C4' energy: -53.993
flat angles P-C4'-P energy: -33.318
tors. eta vs tors. theta energy: -66.633
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: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -789.081946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.081946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.081946 (E_RNA)
where:
Base-Base interactions energy: -523.593
where: short stacking energy: -251.045
Base-Backbone interact. energy: -1.447
local terms energy: -264.042810
where:
bonds (distance) C4'-P energy: -42.074
bonds (distance) P-C4' energy: -54.187
flat angles C4'-P-C4' energy: -54.437
flat angles P-C4'-P energy: -39.486
tors. eta vs tors. theta energy: -73.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -743.116160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.116160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.116160 (E_RNA)
where:
Base-Base interactions energy: -505.512
where: short stacking energy: -227.180
Base-Backbone interact. energy: 0.951
local terms energy: -238.555999
where:
bonds (distance) C4'-P energy: -44.812
bonds (distance) P-C4' energy: -44.563
flat angles C4'-P-C4' energy: -47.149
flat angles P-C4'-P energy: -37.361
tors. eta vs tors. theta energy: -64.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -704.432399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.432399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.432399 (E_RNA)
where:
Base-Base interactions energy: -473.515
where: short stacking energy: -184.542
Base-Backbone interact. energy: 3.059
local terms energy: -233.976755
where:
bonds (distance) C4'-P energy: -52.137
bonds (distance) P-C4' energy: -45.390
flat angles C4'-P-C4' energy: -46.959
flat angles P-C4'-P energy: -35.031
tors. eta vs tors. theta energy: -54.460
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: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -655.268188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.268188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.268188 (E_RNA)
where:
Base-Base interactions energy: -445.717
where: short stacking energy: -192.387
Base-Backbone interact. energy: -0.496
local terms energy: -209.055485
where:
bonds (distance) C4'-P energy: -33.499
bonds (distance) P-C4' energy: -50.898
flat angles C4'-P-C4' energy: -50.739
flat angles P-C4'-P energy: -26.845
tors. eta vs tors. theta energy: -47.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -636.134612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.134612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.134612 (E_RNA)
where:
Base-Base interactions energy: -420.724
where: short stacking energy: -177.079
Base-Backbone interact. energy: -0.025
local terms energy: -215.385247
where:
bonds (distance) C4'-P energy: -49.931
bonds (distance) P-C4' energy: -46.876
flat angles C4'-P-C4' energy: -42.854
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: -47.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -545.423559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.423559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.423559 (E_RNA)
where:
Base-Base interactions energy: -372.513
where: short stacking energy: -165.255
Base-Backbone interact. energy: -0.907
local terms energy: -172.003735
where:
bonds (distance) C4'-P energy: -27.337
bonds (distance) P-C4' energy: -35.304
flat angles C4'-P-C4' energy: -44.522
flat angles P-C4'-P energy: -33.846
tors. eta vs tors. theta energy: -30.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -394.978532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.978532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.978532 (E_RNA)
where:
Base-Base interactions energy: -249.907
where: short stacking energy: -120.844
Base-Backbone interact. energy: -0.766
local terms energy: -144.305445
where:
bonds (distance) C4'-P energy: -34.721
bonds (distance) P-C4' energy: -29.775
flat angles C4'-P-C4' energy: -41.227
flat angles P-C4'-P energy: -25.545
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -307.650394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.650394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.650394 (E_RNA)
where:
Base-Base interactions energy: -164.219
where: short stacking energy: -92.125
Base-Backbone interact. energy: -0.863
local terms energy: -142.567658
where:
bonds (distance) C4'-P energy: -35.636
bonds (distance) P-C4' energy: -48.770
flat angles C4'-P-C4' energy: -35.896
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: 0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -863.160482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.160482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.160482 (E_RNA)
where:
Base-Base interactions energy: -622.348
where: short stacking energy: -240.225
Base-Backbone interact. energy: -1.381
local terms energy: -239.431392
where:
bonds (distance) C4'-P energy: -43.859
bonds (distance) P-C4' energy: -43.129
flat angles C4'-P-C4' energy: -51.165
flat angles P-C4'-P energy: -34.860
tors. eta vs tors. theta energy: -66.419
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: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -830.559473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.559473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.559473 (E_RNA)
where:
Base-Base interactions energy: -578.822
where: short stacking energy: -246.271
Base-Backbone interact. energy: -0.136
local terms energy: -251.601487
where:
bonds (distance) C4'-P energy: -44.363
bonds (distance) P-C4' energy: -49.876
flat angles C4'-P-C4' energy: -51.995
flat angles P-C4'-P energy: -34.115
tors. eta vs tors. theta energy: -71.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -794.741245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.741245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.741245 (E_RNA)
where:
Base-Base interactions energy: -538.597
where: short stacking energy: -250.896
Base-Backbone interact. energy: -0.157
local terms energy: -255.987944
where:
bonds (distance) C4'-P energy: -44.068
bonds (distance) P-C4' energy: -49.060
flat angles C4'-P-C4' energy: -55.184
flat angles P-C4'-P energy: -28.384
tors. eta vs tors. theta energy: -79.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -749.381008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.381008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.381008 (E_RNA)
where:
Base-Base interactions energy: -505.477
where: short stacking energy: -244.250
Base-Backbone interact. energy: -0.099
local terms energy: -243.804611
where:
bonds (distance) C4'-P energy: -49.238
bonds (distance) P-C4' energy: -42.207
flat angles C4'-P-C4' energy: -44.887
flat angles P-C4'-P energy: -42.332
tors. eta vs tors. theta energy: -65.142
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: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -716.504230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.504230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.504230 (E_RNA)
where:
Base-Base interactions energy: -483.865
where: short stacking energy: -198.260
Base-Backbone interact. energy: 3.483
local terms energy: -236.121694
where:
bonds (distance) C4'-P energy: -44.967
bonds (distance) P-C4' energy: -54.660
flat angles C4'-P-C4' energy: -45.615
flat angles P-C4'-P energy: -35.567
tors. eta vs tors. theta energy: -55.314
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: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -650.385762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.385762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.385762 (E_RNA)
where:
Base-Base interactions energy: -432.639
where: short stacking energy: -189.988
Base-Backbone interact. energy: -0.824
local terms energy: -216.922150
where:
bonds (distance) C4'-P energy: -43.598
bonds (distance) P-C4' energy: -55.936
flat angles C4'-P-C4' energy: -46.241
flat angles P-C4'-P energy: -29.450
tors. eta vs tors. theta energy: -41.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -598.222607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.222607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.222607 (E_RNA)
where:
Base-Base interactions energy: -396.259
where: short stacking energy: -169.731
Base-Backbone interact. energy: 1.010
local terms energy: -202.973989
where:
bonds (distance) C4'-P energy: -40.785
bonds (distance) P-C4' energy: -43.812
flat angles C4'-P-C4' energy: -50.792
flat angles P-C4'-P energy: -25.800
tors. eta vs tors. theta energy: -41.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -557.155970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.155970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.155970 (E_RNA)
where:
Base-Base interactions energy: -367.936
where: short stacking energy: -161.896
Base-Backbone interact. energy: 1.680
local terms energy: -190.899971
where:
bonds (distance) C4'-P energy: -32.153
bonds (distance) P-C4' energy: -44.580
flat angles C4'-P-C4' energy: -43.989
flat angles P-C4'-P energy: -27.300
tors. eta vs tors. theta energy: -42.877
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: 3
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -398.493009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.493009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.493009 (E_RNA)
where:
Base-Base interactions energy: -247.444
where: short stacking energy: -124.006
Base-Backbone interact. energy: -0.726
local terms energy: -150.322736
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -45.718
flat angles C4'-P-C4' energy: -36.535
flat angles P-C4'-P energy: -27.904
tors. eta vs tors. theta energy: -14.249
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: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -282.272619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.272619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.272619 (E_RNA)
where:
Base-Base interactions energy: -137.903
where: short stacking energy: -67.455
Base-Backbone interact. energy: -1.885
local terms energy: -142.484634
where:
bonds (distance) C4'-P energy: -46.358
bonds (distance) P-C4' energy: -51.809
flat angles C4'-P-C4' energy: -28.834
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -845.703978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.703978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.703978 (E_RNA)
where:
Base-Base interactions energy: -596.849
where: short stacking energy: -234.172
Base-Backbone interact. energy: 0.760
local terms energy: -249.615043
where:
bonds (distance) C4'-P energy: -46.786
bonds (distance) P-C4' energy: -57.489
flat angles C4'-P-C4' energy: -56.962
flat angles P-C4'-P energy: -31.723
tors. eta vs tors. theta energy: -56.655
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: 2, replica: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -827.142733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.142733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.142733 (E_RNA)
where:
Base-Base interactions energy: -566.591
where: short stacking energy: -245.721
Base-Backbone interact. energy: -2.058
local terms energy: -258.494391
where:
bonds (distance) C4'-P energy: -49.777
bonds (distance) P-C4' energy: -47.809
flat angles C4'-P-C4' energy: -55.338
flat angles P-C4'-P energy: -34.025
tors. eta vs tors. theta energy: -71.545
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: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -804.493221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.493221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.493221 (E_RNA)
where:
Base-Base interactions energy: -551.407
where: short stacking energy: -264.643
Base-Backbone interact. energy: -0.836
local terms energy: -252.250711
where:
bonds (distance) C4'-P energy: -37.945
bonds (distance) P-C4' energy: -47.545
flat angles C4'-P-C4' energy: -53.320
flat angles P-C4'-P energy: -33.862
tors. eta vs tors. theta energy: -79.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -755.021676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.021676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.021676 (E_RNA)
where:
Base-Base interactions energy: -496.510
where: short stacking energy: -228.637
Base-Backbone interact. energy: -0.179
local terms energy: -258.331866
where:
bonds (distance) C4'-P energy: -49.719
bonds (distance) P-C4' energy: -45.665
flat angles C4'-P-C4' energy: -55.306
flat angles P-C4'-P energy: -42.037
tors. eta vs tors. theta energy: -65.603
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: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -724.710813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.710813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.710813 (E_RNA)
where:
Base-Base interactions energy: -492.102
where: short stacking energy: -198.627
Base-Backbone interact. energy: 0.003
local terms energy: -232.611669
where:
bonds (distance) C4'-P energy: -43.536
bonds (distance) P-C4' energy: -50.054
flat angles C4'-P-C4' energy: -53.204
flat angles P-C4'-P energy: -38.027
tors. eta vs tors. theta energy: -47.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -672.524913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.524913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.524913 (E_RNA)
where:
Base-Base interactions energy: -463.339
where: short stacking energy: -199.493
Base-Backbone interact. energy: -0.965
local terms energy: -208.220793
where:
bonds (distance) C4'-P energy: -41.878
bonds (distance) P-C4' energy: -46.943
flat angles C4'-P-C4' energy: -48.367
flat angles P-C4'-P energy: -28.436
tors. eta vs tors. theta energy: -42.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -647.744054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.744054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.744054 (E_RNA)
where:
Base-Base interactions energy: -439.961
where: short stacking energy: -195.746
Base-Backbone interact. energy: -0.416
local terms energy: -207.366923
where:
bonds (distance) C4'-P energy: -36.609
bonds (distance) P-C4' energy: -43.860
flat angles C4'-P-C4' energy: -47.743
flat angles P-C4'-P energy: -32.406
tors. eta vs tors. theta energy: -46.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -594.983532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.983532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.983532 (E_RNA)
where:
Base-Base interactions energy: -387.956
where: short stacking energy: -171.673
Base-Backbone interact. energy: -2.698
local terms energy: -204.328997
where:
bonds (distance) C4'-P energy: -38.646
bonds (distance) P-C4' energy: -45.842
flat angles C4'-P-C4' energy: -38.633
flat angles P-C4'-P energy: -34.447
tors. eta vs tors. theta energy: -46.761
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: 9, replica: 3
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -394.372283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.372283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.372283 (E_RNA)
where:
Base-Base interactions energy: -229.932
where: short stacking energy: -120.412
Base-Backbone interact. energy: -1.087
local terms energy: -163.353541
where:
bonds (distance) C4'-P energy: -43.828
bonds (distance) P-C4' energy: -42.208
flat angles C4'-P-C4' energy: -36.652
flat angles P-C4'-P energy: -23.787
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -324.626312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.626312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.626312 (E_RNA)
where:
Base-Base interactions energy: -169.073
where: short stacking energy: -87.660
Base-Backbone interact. energy: -0.803
local terms energy: -154.750365
where:
bonds (distance) C4'-P energy: -44.730
bonds (distance) P-C4' energy: -41.650
flat angles C4'-P-C4' energy: -33.443
flat angles P-C4'-P energy: -27.665
tors. eta vs tors. theta energy: -7.262
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: 10
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -863.801822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.801822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.801822 (E_RNA)
where:
Base-Base interactions energy: -612.045
where: short stacking energy: -237.800
Base-Backbone interact. energy: 1.031
local terms energy: -252.788217
where:
bonds (distance) C4'-P energy: -53.188
bonds (distance) P-C4' energy: -50.166
flat angles C4'-P-C4' energy: -48.677
flat angles P-C4'-P energy: -39.020
tors. eta vs tors. theta energy: -61.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -829.604354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.604354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.604354 (E_RNA)
where:
Base-Base interactions energy: -575.134
where: short stacking energy: -255.262
Base-Backbone interact. energy: -1.236
local terms energy: -253.234510
where:
bonds (distance) C4'-P energy: -47.913
bonds (distance) P-C4' energy: -44.672
flat angles C4'-P-C4' energy: -51.035
flat angles P-C4'-P energy: -37.914
tors. eta vs tors. theta energy: -71.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -810.449946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.449946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.449946 (E_RNA)
where:
Base-Base interactions energy: -555.245
where: short stacking energy: -242.099
Base-Backbone interact. energy: 0.344
local terms energy: -255.548762
where:
bonds (distance) C4'-P energy: -45.703
bonds (distance) P-C4' energy: -47.521
flat angles C4'-P-C4' energy: -53.473
flat angles P-C4'-P energy: -36.079
tors. eta vs tors. theta energy: -72.773
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: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -760.758343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.758343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.758343 (E_RNA)
where:
Base-Base interactions energy: -515.703
where: short stacking energy: -239.580
Base-Backbone interact. energy: -0.961
local terms energy: -244.093701
where:
bonds (distance) C4'-P energy: -51.627
bonds (distance) P-C4' energy: -44.999
flat angles C4'-P-C4' energy: -48.142
flat angles P-C4'-P energy: -34.630
tors. eta vs tors. theta energy: -64.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -720.520784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.520784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.520784 (E_RNA)
where:
Base-Base interactions energy: -510.205
where: short stacking energy: -209.585
Base-Backbone interact. energy: 0.552
local terms energy: -210.867895
where:
bonds (distance) C4'-P energy: -43.890
bonds (distance) P-C4' energy: -40.039
flat angles C4'-P-C4' energy: -54.201
flat angles P-C4'-P energy: -31.703
tors. eta vs tors. theta energy: -41.036
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: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -662.695516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.695516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.695516 (E_RNA)
where:
Base-Base interactions energy: -457.927
where: short stacking energy: -188.430
Base-Backbone interact. energy: -0.582
local terms energy: -204.187185
where:
bonds (distance) C4'-P energy: -41.076
bonds (distance) P-C4' energy: -36.370
flat angles C4'-P-C4' energy: -49.209
flat angles P-C4'-P energy: -36.657
tors. eta vs tors. theta energy: -40.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -659.820858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.820858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.820858 (E_RNA)
where:
Base-Base interactions energy: -449.988
where: short stacking energy: -208.233
Base-Backbone interact. energy: -0.571
local terms energy: -209.261345
where:
bonds (distance) C4'-P energy: -27.527
bonds (distance) P-C4' energy: -53.684
flat angles C4'-P-C4' energy: -47.526
flat angles P-C4'-P energy: -24.916
tors. eta vs tors. theta energy: -55.609
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: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -562.045879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.045879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.045879 (E_RNA)
where:
Base-Base interactions energy: -370.371
where: short stacking energy: -158.782
Base-Backbone interact. energy: -1.404
local terms energy: -190.270547
where:
bonds (distance) C4'-P energy: -44.111
bonds (distance) P-C4' energy: -47.826
flat angles C4'-P-C4' energy: -33.658
flat angles P-C4'-P energy: -26.644
tors. eta vs tors. theta energy: -38.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -397.948287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.948287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.948287 (E_RNA)
where:
Base-Base interactions energy: -235.193
where: short stacking energy: -115.094
Base-Backbone interact. energy: 0.019
local terms energy: -162.774351
where:
bonds (distance) C4'-P energy: -42.941
bonds (distance) P-C4' energy: -41.390
flat angles C4'-P-C4' energy: -38.267
flat angles P-C4'-P energy: -22.175
tors. eta vs tors. theta energy: -18.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -312.011072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.011072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.011072 (E_RNA)
where:
Base-Base interactions energy: -153.700
where: short stacking energy: -79.973
Base-Backbone interact. energy: -0.351
local terms energy: -157.959986
where:
bonds (distance) C4'-P energy: -40.090
bonds (distance) P-C4' energy: -43.498
flat angles C4'-P-C4' energy: -33.330
flat angles P-C4'-P energy: -33.016
tors. eta vs tors. theta energy: -8.026
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: 370
Temperature: 0.900000
Total energy: -854.257178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.257178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.257178 (E_RNA)
where:
Base-Base interactions energy: -601.445
where: short stacking energy: -235.560
Base-Backbone interact. energy: -2.181
local terms energy: -250.630911
where:
bonds (distance) C4'-P energy: -51.717
bonds (distance) P-C4' energy: -49.253
flat angles C4'-P-C4' energy: -56.055
flat angles P-C4'-P energy: -36.177
tors. eta vs tors. theta energy: -57.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -820.556402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.556402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.556402 (E_RNA)
where:
Base-Base interactions energy: -563.103
where: short stacking energy: -249.400
Base-Backbone interact. energy: 0.772
local terms energy: -258.225591
where:
bonds (distance) C4'-P energy: -45.389
bonds (distance) P-C4' energy: -49.074
flat angles C4'-P-C4' energy: -53.414
flat angles P-C4'-P energy: -35.543
tors. eta vs tors. theta energy: -74.806
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: 370
Temperature: 1.000000
Total energy: -805.017637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.017637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.017637 (E_RNA)
where:
Base-Base interactions energy: -553.642
where: short stacking energy: -246.323
Base-Backbone interact. energy: -0.667
local terms energy: -250.708183
where:
bonds (distance) C4'-P energy: -41.174
bonds (distance) P-C4' energy: -45.812
flat angles C4'-P-C4' energy: -53.284
flat angles P-C4'-P energy: -34.136
tors. eta vs tors. theta energy: -76.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -742.666259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.666259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.666259 (E_RNA)
where:
Base-Base interactions energy: -501.480
where: short stacking energy: -238.182
Base-Backbone interact. energy: -0.665
local terms energy: -240.522063
where:
bonds (distance) C4'-P energy: -39.108
bonds (distance) P-C4' energy: -43.038
flat angles C4'-P-C4' energy: -54.461
flat angles P-C4'-P energy: -35.916
tors. eta vs tors. theta energy: -67.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -738.345517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.345517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.345517 (E_RNA)
where:
Base-Base interactions energy: -510.484
where: short stacking energy: -217.668
Base-Backbone interact. energy: -1.324
local terms energy: -226.537076
where:
bonds (distance) C4'-P energy: -48.426
bonds (distance) P-C4' energy: -41.479
flat angles C4'-P-C4' energy: -48.432
flat angles P-C4'-P energy: -33.041
tors. eta vs tors. theta energy: -55.160
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: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -675.591644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.591644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.591644 (E_RNA)
where:
Base-Base interactions energy: -455.943
where: short stacking energy: -197.800
Base-Backbone interact. energy: 1.188
local terms energy: -220.836293
where:
bonds (distance) C4'-P energy: -36.007
bonds (distance) P-C4' energy: -42.333
flat angles C4'-P-C4' energy: -51.818
flat angles P-C4'-P energy: -35.856
tors. eta vs tors. theta energy: -54.822
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: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -642.464206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.464206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.464206 (E_RNA)
where:
Base-Base interactions energy: -431.630
where: short stacking energy: -177.111
Base-Backbone interact. energy: 2.158
local terms energy: -212.992044
where:
bonds (distance) C4'-P energy: -41.598
bonds (distance) P-C4' energy: -52.258
flat angles C4'-P-C4' energy: -42.203
flat angles P-C4'-P energy: -32.798
tors. eta vs tors. theta energy: -44.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -533.792207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.792207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.792207 (E_RNA)
where:
Base-Base interactions energy: -364.038
where: short stacking energy: -153.352
Base-Backbone interact. energy: 4.428
local terms energy: -174.182069
where:
bonds (distance) C4'-P energy: -42.256
bonds (distance) P-C4' energy: -37.202
flat angles C4'-P-C4' energy: -37.537
flat angles P-C4'-P energy: -24.991
tors. eta vs tors. theta energy: -32.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -327.717515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.717515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.717515 (E_RNA)
where:
Base-Base interactions energy: -178.296
where: short stacking energy: -87.583
Base-Backbone interact. energy: 3.253
local terms energy: -152.675007
where:
bonds (distance) C4'-P energy: -39.463
bonds (distance) P-C4' energy: -45.531
flat angles C4'-P-C4' energy: -42.822
flat angles P-C4'-P energy: -20.048
tors. eta vs tors. theta energy: -4.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -384.444646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.444646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.444646 (E_RNA)
where:
Base-Base interactions energy: -244.138
where: short stacking energy: -105.843
Base-Backbone interact. energy: -0.229
local terms energy: -140.077489
where:
bonds (distance) C4'-P energy: -37.285
bonds (distance) P-C4' energy: -31.999
flat angles C4'-P-C4' energy: -33.200
flat angles P-C4'-P energy: -23.033
tors. eta vs tors. theta energy: -14.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -868.140231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.140231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.140231 (E_RNA)
where:
Base-Base interactions energy: -623.042
where: short stacking energy: -254.306
Base-Backbone interact. energy: 5.748
local terms energy: -250.845523
where:
bonds (distance) C4'-P energy: -42.245
bonds (distance) P-C4' energy: -50.181
flat angles C4'-P-C4' energy: -56.038
flat angles P-C4'-P energy: -41.066
tors. eta vs tors. theta energy: -61.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -820.099664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.099664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.099664 (E_RNA)
where:
Base-Base interactions energy: -567.001
where: short stacking energy: -240.003
Base-Backbone interact. energy: -2.306
local terms energy: -250.792930
where:
bonds (distance) C4'-P energy: -45.647
bonds (distance) P-C4' energy: -47.957
flat angles C4'-P-C4' energy: -56.806
flat angles P-C4'-P energy: -35.494
tors. eta vs tors. theta energy: -64.889
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: 371
Temperature: 1.000000
Total energy: -820.410623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.410623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.410623 (E_RNA)
where:
Base-Base interactions energy: -557.439
where: short stacking energy: -254.929
Base-Backbone interact. energy: -1.054
local terms energy: -261.917700
where:
bonds (distance) C4'-P energy: -49.400
bonds (distance) P-C4' energy: -46.280
flat angles C4'-P-C4' energy: -55.649
flat angles P-C4'-P energy: -33.781
tors. eta vs tors. theta energy: -76.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -729.683592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.683592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.683592 (E_RNA)
where:
Base-Base interactions energy: -501.214
where: short stacking energy: -220.625
Base-Backbone interact. energy: 1.498
local terms energy: -229.968127
where:
bonds (distance) C4'-P energy: -39.911
bonds (distance) P-C4' energy: -41.209
flat angles C4'-P-C4' energy: -55.344
flat angles P-C4'-P energy: -35.029
tors. eta vs tors. theta energy: -58.476
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: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -733.020440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.020440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.020440 (E_RNA)
where:
Base-Base interactions energy: -518.177
where: short stacking energy: -236.958
Base-Backbone interact. energy: -0.520
local terms energy: -214.323933
where:
bonds (distance) C4'-P energy: -37.897
bonds (distance) P-C4' energy: -35.450
flat angles C4'-P-C4' energy: -38.923
flat angles P-C4'-P energy: -30.032
tors. eta vs tors. theta energy: -72.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -686.161700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.161700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.161700 (E_RNA)
where:
Base-Base interactions energy: -470.091
where: short stacking energy: -209.425
Base-Backbone interact. energy: -1.007
local terms energy: -215.063566
where:
bonds (distance) C4'-P energy: -44.759
bonds (distance) P-C4' energy: -48.406
flat angles C4'-P-C4' energy: -41.552
flat angles P-C4'-P energy: -25.114
tors. eta vs tors. theta energy: -55.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -649.333606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.333606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.333606 (E_RNA)
where:
Base-Base interactions energy: -437.619
where: short stacking energy: -198.222
Base-Backbone interact. energy: -0.390
local terms energy: -211.324391
where:
bonds (distance) C4'-P energy: -34.242
bonds (distance) P-C4' energy: -51.476
flat angles C4'-P-C4' energy: -51.181
flat angles P-C4'-P energy: -24.941
tors. eta vs tors. theta energy: -49.484
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: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -561.563126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.563126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.563126 (E_RNA)
where:
Base-Base interactions energy: -381.430
where: short stacking energy: -161.023
Base-Backbone interact. energy: -0.550
local terms energy: -179.582983
where:
bonds (distance) C4'-P energy: -35.806
bonds (distance) P-C4' energy: -31.686
flat angles C4'-P-C4' energy: -45.681
flat angles P-C4'-P energy: -31.980
tors. eta vs tors. theta energy: -34.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -372.255715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.255715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.255715 (E_RNA)
where:
Base-Base interactions energy: -220.662
where: short stacking energy: -121.189
Base-Backbone interact. energy: -0.586
local terms energy: -151.008099
where:
bonds (distance) C4'-P energy: -35.649
bonds (distance) P-C4' energy: -31.473
flat angles C4'-P-C4' energy: -40.841
flat angles P-C4'-P energy: -23.403
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -377.694028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.694028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.694028 (E_RNA)
where:
Base-Base interactions energy: -208.421
where: short stacking energy: -99.651
Base-Backbone interact. energy: -0.864
local terms energy: -168.408779
where:
bonds (distance) C4'-P energy: -37.448
bonds (distance) P-C4' energy: -49.162
flat angles C4'-P-C4' energy: -41.216
flat angles P-C4'-P energy: -28.128
tors. eta vs tors. theta energy: -12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -860.859658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.859658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.859658 (E_RNA)
where:
Base-Base interactions energy: -605.670
where: short stacking energy: -242.437
Base-Backbone interact. energy: -1.421
local terms energy: -253.768234
where:
bonds (distance) C4'-P energy: -50.328
bonds (distance) P-C4' energy: -48.928
flat angles C4'-P-C4' energy: -55.653
flat angles P-C4'-P energy: -36.187
tors. eta vs tors. theta energy: -62.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -812.829994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.829994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.829994 (E_RNA)
where:
Base-Base interactions energy: -553.998
where: short stacking energy: -240.741
Base-Backbone interact. energy: -2.866
local terms energy: -255.966215
where:
bonds (distance) C4'-P energy: -43.966
bonds (distance) P-C4' energy: -50.181
flat angles C4'-P-C4' energy: -63.177
flat angles P-C4'-P energy: -28.798
tors. eta vs tors. theta energy: -69.844
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: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -823.518095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.518095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.518095 (E_RNA)
where:
Base-Base interactions energy: -565.123
where: short stacking energy: -259.022
Base-Backbone interact. energy: -0.322
local terms energy: -258.072916
where:
bonds (distance) C4'-P energy: -46.681
bonds (distance) P-C4' energy: -48.857
flat angles C4'-P-C4' energy: -48.826
flat angles P-C4'-P energy: -37.081
tors. eta vs tors. theta energy: -76.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -755.492037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.492037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.492037 (E_RNA)
where:
Base-Base interactions energy: -522.336
where: short stacking energy: -219.274
Base-Backbone interact. energy: 0.906
local terms energy: -234.061424
where:
bonds (distance) C4'-P energy: -44.779
bonds (distance) P-C4' energy: -55.480
flat angles C4'-P-C4' energy: -44.882
flat angles P-C4'-P energy: -29.401
tors. eta vs tors. theta energy: -59.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -719.636919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.636919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.636919 (E_RNA)
where:
Base-Base interactions energy: -494.052
where: short stacking energy: -230.038
Base-Backbone interact. energy: 0.876
local terms energy: -226.461404
where:
bonds (distance) C4'-P energy: -44.867
bonds (distance) P-C4' energy: -40.265
flat angles C4'-P-C4' energy: -52.710
flat angles P-C4'-P energy: -32.865
tors. eta vs tors. theta energy: -55.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -673.120941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.120941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.120941 (E_RNA)
where:
Base-Base interactions energy: -461.158
where: short stacking energy: -204.967
Base-Backbone interact. energy: -0.726
local terms energy: -211.236768
where:
bonds (distance) C4'-P energy: -47.891
bonds (distance) P-C4' energy: -37.730
flat angles C4'-P-C4' energy: -44.282
flat angles P-C4'-P energy: -28.543
tors. eta vs tors. theta energy: -52.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -612.203993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.203993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.203993 (E_RNA)
where:
Base-Base interactions energy: -416.170
where: short stacking energy: -181.326
Base-Backbone interact. energy: -0.857
local terms energy: -195.176969
where:
bonds (distance) C4'-P energy: -36.862
bonds (distance) P-C4' energy: -35.517
flat angles C4'-P-C4' energy: -53.539
flat angles P-C4'-P energy: -28.734
tors. eta vs tors. theta energy: -40.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -538.990891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.990891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.990891 (E_RNA)
where:
Base-Base interactions energy: -361.087
where: short stacking energy: -154.717
Base-Backbone interact. energy: -0.065
local terms energy: -177.838396
where:
bonds (distance) C4'-P energy: -30.301
bonds (distance) P-C4' energy: -40.764
flat angles C4'-P-C4' energy: -47.067
flat angles P-C4'-P energy: -30.693
tors. eta vs tors. theta energy: -29.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -391.120518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.120518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.120518 (E_RNA)
where:
Base-Base interactions energy: -235.573
where: short stacking energy: -115.387
Base-Backbone interact. energy: 0.656
local terms energy: -156.203058
where:
bonds (distance) C4'-P energy: -33.912
bonds (distance) P-C4' energy: -48.248
flat angles C4'-P-C4' energy: -30.154
flat angles P-C4'-P energy: -23.393
tors. eta vs tors. theta energy: -20.496
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: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -345.044249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.044249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.044249 (E_RNA)
where:
Base-Base interactions energy: -204.165
where: short stacking energy: -119.352
Base-Backbone interact. energy: -0.958
local terms energy: -139.921140
where:
bonds (distance) C4'-P energy: -36.238
bonds (distance) P-C4' energy: -39.377
flat angles C4'-P-C4' energy: -29.412
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -18.297
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: 10
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -859.427952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.427952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.427952 (E_RNA)
where:
Base-Base interactions energy: -600.306
where: short stacking energy: -242.098
Base-Backbone interact. energy: -2.198
local terms energy: -256.923815
where:
bonds (distance) C4'-P energy: -48.259
bonds (distance) P-C4' energy: -46.022
flat angles C4'-P-C4' energy: -56.661
flat angles P-C4'-P energy: -40.936
tors. eta vs tors. theta energy: -65.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -828.024939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.024939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.024939 (E_RNA)
where:
Base-Base interactions energy: -575.277
where: short stacking energy: -248.767
Base-Backbone interact. energy: -1.688
local terms energy: -251.059597
where:
bonds (distance) C4'-P energy: -33.664
bonds (distance) P-C4' energy: -50.409
flat angles C4'-P-C4' energy: -49.814
flat angles P-C4'-P energy: -39.030
tors. eta vs tors. theta energy: -78.142
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: 6
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -809.244105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.244105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.244105 (E_RNA)
where:
Base-Base interactions energy: -548.307
where: short stacking energy: -236.301
Base-Backbone interact. energy: -1.554
local terms energy: -259.383709
where:
bonds (distance) C4'-P energy: -47.029
bonds (distance) P-C4' energy: -49.663
flat angles C4'-P-C4' energy: -49.632
flat angles P-C4'-P energy: -43.074
tors. eta vs tors. theta energy: -69.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -761.361924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.361924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.361924 (E_RNA)
where:
Base-Base interactions energy: -525.994
where: short stacking energy: -204.964
Base-Backbone interact. energy: 0.414
local terms energy: -235.782034
where:
bonds (distance) C4'-P energy: -42.141
bonds (distance) P-C4' energy: -48.481
flat angles C4'-P-C4' energy: -50.714
flat angles P-C4'-P energy: -38.635
tors. eta vs tors. theta energy: -55.811
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: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -773.832956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.832956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.832956 (E_RNA)
where:
Base-Base interactions energy: -527.112
where: short stacking energy: -232.774
Base-Backbone interact. energy: 5.668
local terms energy: -252.389293
where:
bonds (distance) C4'-P energy: -55.155
bonds (distance) P-C4' energy: -53.164
flat angles C4'-P-C4' energy: -47.215
flat angles P-C4'-P energy: -28.428
tors. eta vs tors. theta energy: -68.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -657.411730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.411730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.411730 (E_RNA)
where:
Base-Base interactions energy: -441.463
where: short stacking energy: -207.060
Base-Backbone interact. energy: -0.798
local terms energy: -215.150872
where:
bonds (distance) C4'-P energy: -43.688
bonds (distance) P-C4' energy: -44.744
flat angles C4'-P-C4' energy: -44.127
flat angles P-C4'-P energy: -35.057
tors. eta vs tors. theta energy: -47.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -640.075126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.075126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.075126 (E_RNA)
where:
Base-Base interactions energy: -436.005
where: short stacking energy: -194.278
Base-Backbone interact. energy: -0.526
local terms energy: -203.544237
where:
bonds (distance) C4'-P energy: -40.228
bonds (distance) P-C4' energy: -44.316
flat angles C4'-P-C4' energy: -41.095
flat angles P-C4'-P energy: -29.586
tors. eta vs tors. theta energy: -48.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -543.673384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.673384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.673384 (E_RNA)
where:
Base-Base interactions energy: -370.247
where: short stacking energy: -147.992
Base-Backbone interact. energy: -1.168
local terms energy: -172.258652
where:
bonds (distance) C4'-P energy: -32.125
bonds (distance) P-C4' energy: -31.882
flat angles C4'-P-C4' energy: -49.327
flat angles P-C4'-P energy: -25.577
tors. eta vs tors. theta energy: -33.349
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: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -403.308784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.308784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.308784 (E_RNA)
where:
Base-Base interactions energy: -251.029
where: short stacking energy: -119.704
Base-Backbone interact. energy: -0.856
local terms energy: -151.423697
where:
bonds (distance) C4'-P energy: -26.711
bonds (distance) P-C4' energy: -46.103
flat angles C4'-P-C4' energy: -35.635
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: -18.603
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: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -322.972761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.972761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.972761 (E_RNA)
where:
Base-Base interactions energy: -193.229
where: short stacking energy: -103.226
Base-Backbone interact. energy: 1.198
local terms energy: -130.941755
where:
bonds (distance) C4'-P energy: -38.805
bonds (distance) P-C4' energy: -36.604
flat angles C4'-P-C4' energy: -24.879
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -860.162963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.162963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.162963 (E_RNA)
where:
Base-Base interactions energy: -596.104
where: short stacking energy: -259.610
Base-Backbone interact. energy: -0.724
local terms energy: -263.335456
where:
bonds (distance) C4'-P energy: -48.155
bonds (distance) P-C4' energy: -40.923
flat angles C4'-P-C4' energy: -56.354
flat angles P-C4'-P energy: -42.434
tors. eta vs tors. theta energy: -75.469
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: 10
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -834.161469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.161469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.161469 (E_RNA)
where:
Base-Base interactions energy: -589.863
where: short stacking energy: -231.832
Base-Backbone interact. energy: -0.680
local terms energy: -243.618201
where:
bonds (distance) C4'-P energy: -40.845
bonds (distance) P-C4' energy: -55.989
flat angles C4'-P-C4' energy: -47.923
flat angles P-C4'-P energy: -38.202
tors. eta vs tors. theta energy: -60.660
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: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -757.181565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.181565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.181565 (E_RNA)
where:
Base-Base interactions energy: -524.160
where: short stacking energy: -209.555
Base-Backbone interact. energy: -0.214
local terms energy: -232.807854
where:
bonds (distance) C4'-P energy: -40.915
bonds (distance) P-C4' energy: -55.899
flat angles C4'-P-C4' energy: -51.173
flat angles P-C4'-P energy: -30.196
tors. eta vs tors. theta energy: -54.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -765.659143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.659143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.659143 (E_RNA)
where:
Base-Base interactions energy: -525.314
where: short stacking energy: -233.510
Base-Backbone interact. energy: -1.389
local terms energy: -238.955709
where:
bonds (distance) C4'-P energy: -36.439
bonds (distance) P-C4' energy: -48.080
flat angles C4'-P-C4' energy: -55.753
flat angles P-C4'-P energy: -32.939
tors. eta vs tors. theta energy: -65.745
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: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -760.675274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.675274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.675274 (E_RNA)
where:
Base-Base interactions energy: -514.201
where: short stacking energy: -226.348
Base-Backbone interact. energy: -2.507
local terms energy: -243.966859
where:
bonds (distance) C4'-P energy: -37.851
bonds (distance) P-C4' energy: -53.791
flat angles C4'-P-C4' energy: -48.154
flat angles P-C4'-P energy: -37.174
tors. eta vs tors. theta energy: -66.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -658.177878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.177878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.177878 (E_RNA)
where:
Base-Base interactions energy: -448.782
where: short stacking energy: -198.603
Base-Backbone interact. energy: -1.846
local terms energy: -207.550072
where:
bonds (distance) C4'-P energy: -39.960
bonds (distance) P-C4' energy: -45.781
flat angles C4'-P-C4' energy: -45.579
flat angles P-C4'-P energy: -30.486
tors. eta vs tors. theta energy: -45.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -626.318113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.318113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.318113 (E_RNA)
where:
Base-Base interactions energy: -428.168
where: short stacking energy: -180.616
Base-Backbone interact. energy: -1.291
local terms energy: -196.858647
where:
bonds (distance) C4'-P energy: -49.111
bonds (distance) P-C4' energy: -44.369
flat angles C4'-P-C4' energy: -45.146
flat angles P-C4'-P energy: -19.895
tors. eta vs tors. theta energy: -38.338
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: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -527.312758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.312758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.312758 (E_RNA)
where:
Base-Base interactions energy: -351.069
where: short stacking energy: -159.827
Base-Backbone interact. energy: -1.864
local terms energy: -174.379504
where:
bonds (distance) C4'-P energy: -38.926
bonds (distance) P-C4' energy: -42.579
flat angles C4'-P-C4' energy: -38.283
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -37.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -404.827732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.827732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.827732 (E_RNA)
where:
Base-Base interactions energy: -227.568
where: short stacking energy: -115.438
Base-Backbone interact. energy: -1.068
local terms energy: -176.191610
where:
bonds (distance) C4'-P energy: -49.546
bonds (distance) P-C4' energy: -44.399
flat angles C4'-P-C4' energy: -40.800
flat angles P-C4'-P energy: -22.306
tors. eta vs tors. theta energy: -19.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -334.578410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.578410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.578410 (E_RNA)
where:
Base-Base interactions energy: -207.485
where: short stacking energy: -102.650
Base-Backbone interact. energy: -1.011
local terms energy: -126.082300
where:
bonds (distance) C4'-P energy: -35.016
bonds (distance) P-C4' energy: -39.695
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -8.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -856.333075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.333075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.333075 (E_RNA)
where:
Base-Base interactions energy: -592.062
where: short stacking energy: -270.999
Base-Backbone interact. energy: -0.539
local terms energy: -263.732284
where:
bonds (distance) C4'-P energy: -40.274
bonds (distance) P-C4' energy: -54.181
flat angles C4'-P-C4' energy: -55.476
flat angles P-C4'-P energy: -38.881
tors. eta vs tors. theta energy: -74.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -841.383787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.383787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.383787 (E_RNA)
where:
Base-Base interactions energy: -597.235
where: short stacking energy: -231.024
Base-Backbone interact. energy: -1.914
local terms energy: -242.235159
where:
bonds (distance) C4'-P energy: -45.009
bonds (distance) P-C4' energy: -53.563
flat angles C4'-P-C4' energy: -54.247
flat angles P-C4'-P energy: -27.151
tors. eta vs tors. theta energy: -62.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -764.931168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.931168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.931168 (E_RNA)
where:
Base-Base interactions energy: -533.021
where: short stacking energy: -224.422
Base-Backbone interact. energy: 0.551
local terms energy: -232.461697
where:
bonds (distance) C4'-P energy: -46.752
bonds (distance) P-C4' energy: -46.712
flat angles C4'-P-C4' energy: -52.742
flat angles P-C4'-P energy: -30.259
tors. eta vs tors. theta energy: -55.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -784.408202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.408202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.408202 (E_RNA)
where:
Base-Base interactions energy: -539.961
where: short stacking energy: -241.094
Base-Backbone interact. energy: -2.427
local terms energy: -242.019642
where:
bonds (distance) C4'-P energy: -45.516
bonds (distance) P-C4' energy: -39.865
flat angles C4'-P-C4' energy: -55.105
flat angles P-C4'-P energy: -31.332
tors. eta vs tors. theta energy: -70.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -729.916262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.916262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.916262 (E_RNA)
where:
Base-Base interactions energy: -494.880
where: short stacking energy: -211.167
Base-Backbone interact. energy: -1.925
local terms energy: -233.111977
where:
bonds (distance) C4'-P energy: -43.119
bonds (distance) P-C4' energy: -47.526
flat angles C4'-P-C4' energy: -55.330
flat angles P-C4'-P energy: -30.365
tors. eta vs tors. theta energy: -56.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -662.250610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.250610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.250610 (E_RNA)
where:
Base-Base interactions energy: -461.245
where: short stacking energy: -187.953
Base-Backbone interact. energy: -1.363
local terms energy: -199.642341
where:
bonds (distance) C4'-P energy: -35.216
bonds (distance) P-C4' energy: -47.937
flat angles C4'-P-C4' energy: -44.072
flat angles P-C4'-P energy: -24.132
tors. eta vs tors. theta energy: -48.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -625.288526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.288526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.288526 (E_RNA)
where:
Base-Base interactions energy: -422.094
where: short stacking energy: -195.455
Base-Backbone interact. energy: 3.612
local terms energy: -206.807330
where:
bonds (distance) C4'-P energy: -42.377
bonds (distance) P-C4' energy: -36.209
flat angles C4'-P-C4' energy: -48.233
flat angles P-C4'-P energy: -32.170
tors. eta vs tors. theta energy: -47.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -568.483999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.483999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.483999 (E_RNA)
where:
Base-Base interactions energy: -379.966
where: short stacking energy: -159.098
Base-Backbone interact. energy: -1.298
local terms energy: -187.220520
where:
bonds (distance) C4'-P energy: -40.434
bonds (distance) P-C4' energy: -45.701
flat angles C4'-P-C4' energy: -39.686
flat angles P-C4'-P energy: -25.147
tors. eta vs tors. theta energy: -36.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -433.358817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.358817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.358817 (E_RNA)
where:
Base-Base interactions energy: -274.132
where: short stacking energy: -135.826
Base-Backbone interact. energy: 0.927
local terms energy: -160.154407
where:
bonds (distance) C4'-P energy: -43.174
bonds (distance) P-C4' energy: -52.304
flat angles C4'-P-C4' energy: -31.028
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -17.641
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: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -289.968704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.968704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.968704 (E_RNA)
where:
Base-Base interactions energy: -143.731
where: short stacking energy: -86.379
Base-Backbone interact. energy: 2.957
local terms energy: -149.194879
where:
bonds (distance) C4'-P energy: -42.360
bonds (distance) P-C4' energy: -35.226
flat angles C4'-P-C4' energy: -34.978
flat angles P-C4'-P energy: -28.980
tors. eta vs tors. theta energy: -7.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -858.121246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.121246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.121246 (E_RNA)
where:
Base-Base interactions energy: -587.817
where: short stacking energy: -256.933
Base-Backbone interact. energy: -0.336
local terms energy: -269.968469
where:
bonds (distance) C4'-P energy: -51.090
bonds (distance) P-C4' energy: -51.972
flat angles C4'-P-C4' energy: -52.977
flat angles P-C4'-P energy: -37.343
tors. eta vs tors. theta energy: -76.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -838.182992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.182992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.182992 (E_RNA)
where:
Base-Base interactions energy: -594.908
where: short stacking energy: -244.784
Base-Backbone interact. energy: -3.895
local terms energy: -239.380600
where:
bonds (distance) C4'-P energy: -43.353
bonds (distance) P-C4' energy: -48.991
flat angles C4'-P-C4' energy: -54.828
flat angles P-C4'-P energy: -34.825
tors. eta vs tors. theta energy: -57.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -787.412956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.412956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.412956 (E_RNA)
where:
Base-Base interactions energy: -539.685
where: short stacking energy: -231.620
Base-Backbone interact. energy: -1.745
local terms energy: -245.983222
where:
bonds (distance) C4'-P energy: -41.810
bonds (distance) P-C4' energy: -47.036
flat angles C4'-P-C4' energy: -50.830
flat angles P-C4'-P energy: -33.768
tors. eta vs tors. theta energy: -72.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -751.519166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.519166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.519166 (E_RNA)
where:
Base-Base interactions energy: -521.569
where: short stacking energy: -204.364
Base-Backbone interact. energy: 0.923
local terms energy: -230.872757
where:
bonds (distance) C4'-P energy: -39.644
bonds (distance) P-C4' energy: -46.801
flat angles C4'-P-C4' energy: -55.157
flat angles P-C4'-P energy: -36.952
tors. eta vs tors. theta energy: -52.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -720.399178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.399178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.399178 (E_RNA)
where:
Base-Base interactions energy: -499.980
where: short stacking energy: -223.516
Base-Backbone interact. energy: 0.967
local terms energy: -221.385901
where:
bonds (distance) C4'-P energy: -40.000
bonds (distance) P-C4' energy: -34.316
flat angles C4'-P-C4' energy: -55.460
flat angles P-C4'-P energy: -30.250
tors. eta vs tors. theta energy: -61.361
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: 8
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -660.958429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.958429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.958429 (E_RNA)
where:
Base-Base interactions energy: -439.359
where: short stacking energy: -202.186
Base-Backbone interact. energy: -0.193
local terms energy: -221.407354
where:
bonds (distance) C4'-P energy: -44.576
bonds (distance) P-C4' energy: -43.153
flat angles C4'-P-C4' energy: -48.062
flat angles P-C4'-P energy: -33.222
tors. eta vs tors. theta energy: -52.394
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: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -682.724149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.724149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.724149 (E_RNA)
where:
Base-Base interactions energy: -462.122
where: short stacking energy: -211.159
Base-Backbone interact. energy: -1.357
local terms energy: -219.245170
where:
bonds (distance) C4'-P energy: -42.858
bonds (distance) P-C4' energy: -40.068
flat angles C4'-P-C4' energy: -43.705
flat angles P-C4'-P energy: -30.811
tors. eta vs tors. theta energy: -61.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -573.613484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.613484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.613484 (E_RNA)
where:
Base-Base interactions energy: -384.359
where: short stacking energy: -170.332
Base-Backbone interact. energy: -0.525
local terms energy: -188.730184
where:
bonds (distance) C4'-P energy: -46.291
bonds (distance) P-C4' energy: -35.777
flat angles C4'-P-C4' energy: -44.151
flat angles P-C4'-P energy: -23.027
tors. eta vs tors. theta energy: -39.484
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: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -426.917864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.917864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.917864 (E_RNA)
where:
Base-Base interactions energy: -254.283
where: short stacking energy: -126.749
Base-Backbone interact. energy: 2.128
local terms energy: -174.763037
where:
bonds (distance) C4'-P energy: -39.034
bonds (distance) P-C4' energy: -40.922
flat angles C4'-P-C4' energy: -45.822
flat angles P-C4'-P energy: -28.428
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -298.499744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.499744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.499744 (E_RNA)
where:
Base-Base interactions energy: -175.927
where: short stacking energy: -87.949
Base-Backbone interact. energy: 0.759
local terms energy: -123.331088
where:
bonds (distance) C4'-P energy: -32.737
bonds (distance) P-C4' energy: -43.729
flat angles C4'-P-C4' energy: -35.745
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: 5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -856.114420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.114420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.114420 (E_RNA)
where:
Base-Base interactions energy: -585.506
where: short stacking energy: -267.636
Base-Backbone interact. energy: -0.560
local terms energy: -270.048436
where:
bonds (distance) C4'-P energy: -50.080
bonds (distance) P-C4' energy: -44.007
flat angles C4'-P-C4' energy: -57.428
flat angles P-C4'-P energy: -36.503
tors. eta vs tors. theta energy: -82.031
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: 377
Temperature: 0.950000
Total energy: -853.290855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.290855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.290855 (E_RNA)
where:
Base-Base interactions energy: -603.011
where: short stacking energy: -245.627
Base-Backbone interact. energy: -1.407
local terms energy: -248.873033
where:
bonds (distance) C4'-P energy: -46.064
bonds (distance) P-C4' energy: -52.345
flat angles C4'-P-C4' energy: -57.198
flat angles P-C4'-P energy: -35.141
tors. eta vs tors. theta energy: -58.126
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: 377
Temperature: 1.000000
Total energy: -806.249841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.249841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.249841 (E_RNA)
where:
Base-Base interactions energy: -561.518
where: short stacking energy: -236.949
Base-Backbone interact. energy: -0.896
local terms energy: -243.836375
where:
bonds (distance) C4'-P energy: -46.266
bonds (distance) P-C4' energy: -44.369
flat angles C4'-P-C4' energy: -53.364
flat angles P-C4'-P energy: -33.785
tors. eta vs tors. theta energy: -66.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -758.445891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.445891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.445891 (E_RNA)
where:
Base-Base interactions energy: -521.646
where: short stacking energy: -225.418
Base-Backbone interact. energy: -0.512
local terms energy: -236.287442
where:
bonds (distance) C4'-P energy: -51.504
bonds (distance) P-C4' energy: -39.630
flat angles C4'-P-C4' energy: -51.308
flat angles P-C4'-P energy: -38.988
tors. eta vs tors. theta energy: -54.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -719.901576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.901576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.901576 (E_RNA)
where:
Base-Base interactions energy: -494.100
where: short stacking energy: -223.132
Base-Backbone interact. energy: -3.004
local terms energy: -222.796937
where:
bonds (distance) C4'-P energy: -32.264
bonds (distance) P-C4' energy: -40.476
flat angles C4'-P-C4' energy: -48.863
flat angles P-C4'-P energy: -31.132
tors. eta vs tors. theta energy: -70.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -690.181289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.181289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.181289 (E_RNA)
where:
Base-Base interactions energy: -469.002
where: short stacking energy: -209.390
Base-Backbone interact. energy: 0.921
local terms energy: -222.100346
where:
bonds (distance) C4'-P energy: -49.238
bonds (distance) P-C4' energy: -44.142
flat angles C4'-P-C4' energy: -45.630
flat angles P-C4'-P energy: -26.840
tors. eta vs tors. theta energy: -56.252
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: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -647.235886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.235886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.235886 (E_RNA)
where:
Base-Base interactions energy: -441.398
where: short stacking energy: -193.717
Base-Backbone interact. energy: 2.471
local terms energy: -208.308972
where:
bonds (distance) C4'-P energy: -47.178
bonds (distance) P-C4' energy: -39.319
flat angles C4'-P-C4' energy: -49.313
flat angles P-C4'-P energy: -27.816
tors. eta vs tors. theta energy: -44.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -593.931768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.931768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.931768 (E_RNA)
where:
Base-Base interactions energy: -388.840
where: short stacking energy: -151.858
Base-Backbone interact. energy: -1.397
local terms energy: -203.695057
where:
bonds (distance) C4'-P energy: -43.646
bonds (distance) P-C4' energy: -51.148
flat angles C4'-P-C4' energy: -37.258
flat angles P-C4'-P energy: -29.817
tors. eta vs tors. theta energy: -41.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -421.969565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.969565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.969565 (E_RNA)
where:
Base-Base interactions energy: -248.711
where: short stacking energy: -121.017
Base-Backbone interact. energy: 0.966
local terms energy: -174.223953
where:
bonds (distance) C4'-P energy: -40.807
bonds (distance) P-C4' energy: -45.875
flat angles C4'-P-C4' energy: -31.219
flat angles P-C4'-P energy: -33.513
tors. eta vs tors. theta energy: -22.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -283.469458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.469458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.469458 (E_RNA)
where:
Base-Base interactions energy: -152.513
where: short stacking energy: -78.031
Base-Backbone interact. energy: -0.732
local terms energy: -130.223856
where:
bonds (distance) C4'-P energy: -31.790
bonds (distance) P-C4' energy: -44.624
flat angles C4'-P-C4' energy: -45.070
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: 9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -855.061011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.061011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.061011 (E_RNA)
where:
Base-Base interactions energy: -591.283
where: short stacking energy: -268.008
Base-Backbone interact. energy: -0.160
local terms energy: -263.617769
where:
bonds (distance) C4'-P energy: -48.326
bonds (distance) P-C4' energy: -37.247
flat angles C4'-P-C4' energy: -55.652
flat angles P-C4'-P energy: -41.674
tors. eta vs tors. theta energy: -80.719
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: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -828.235180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.235180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.235180 (E_RNA)
where:
Base-Base interactions energy: -580.112
where: short stacking energy: -228.131
Base-Backbone interact. energy: -0.962
local terms energy: -247.160361
where:
bonds (distance) C4'-P energy: -51.821
bonds (distance) P-C4' energy: -51.164
flat angles C4'-P-C4' energy: -51.291
flat angles P-C4'-P energy: -36.469
tors. eta vs tors. theta energy: -56.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -792.225716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.225716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.225716 (E_RNA)
where:
Base-Base interactions energy: -541.744
where: short stacking energy: -224.237
Base-Backbone interact. energy: -0.169
local terms energy: -250.312749
where:
bonds (distance) C4'-P energy: -53.221
bonds (distance) P-C4' energy: -45.819
flat angles C4'-P-C4' energy: -51.852
flat angles P-C4'-P energy: -35.369
tors. eta vs tors. theta energy: -64.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -741.712065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.712065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.712065 (E_RNA)
where:
Base-Base interactions energy: -522.672
where: short stacking energy: -215.184
Base-Backbone interact. energy: -0.184
local terms energy: -218.856186
where:
bonds (distance) C4'-P energy: -38.335
bonds (distance) P-C4' energy: -44.209
flat angles C4'-P-C4' energy: -52.258
flat angles P-C4'-P energy: -27.149
tors. eta vs tors. theta energy: -56.905
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: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -732.719745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.719745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.719745 (E_RNA)
where:
Base-Base interactions energy: -487.516
where: short stacking energy: -226.073
Base-Backbone interact. energy: -1.112
local terms energy: -244.092005
where:
bonds (distance) C4'-P energy: -44.225
bonds (distance) P-C4' energy: -51.721
flat angles C4'-P-C4' energy: -53.825
flat angles P-C4'-P energy: -34.328
tors. eta vs tors. theta energy: -59.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -683.175534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.175534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.175534 (E_RNA)
where:
Base-Base interactions energy: -457.619
where: short stacking energy: -215.129
Base-Backbone interact. energy: -0.705
local terms energy: -224.851722
where:
bonds (distance) C4'-P energy: -41.147
bonds (distance) P-C4' energy: -44.272
flat angles C4'-P-C4' energy: -42.323
flat angles P-C4'-P energy: -38.384
tors. eta vs tors. theta energy: -58.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -613.777370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.777370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.777370 (E_RNA)
where:
Base-Base interactions energy: -401.787
where: short stacking energy: -176.537
Base-Backbone interact. energy: -0.627
local terms energy: -211.363371
where:
bonds (distance) C4'-P energy: -53.363
bonds (distance) P-C4' energy: -35.770
flat angles C4'-P-C4' energy: -51.340
flat angles P-C4'-P energy: -29.232
tors. eta vs tors. theta energy: -41.659
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: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -605.144022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.144022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.144022 (E_RNA)
where:
Base-Base interactions energy: -423.591
where: short stacking energy: -198.624
Base-Backbone interact. energy: 4.191
local terms energy: -185.744335
where:
bonds (distance) C4'-P energy: -30.532
bonds (distance) P-C4' energy: -43.123
flat angles C4'-P-C4' energy: -39.295
flat angles P-C4'-P energy: -31.607
tors. eta vs tors. theta energy: -41.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -428.994815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.994815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.994815 (E_RNA)
where:
Base-Base interactions energy: -267.280
where: short stacking energy: -137.424
Base-Backbone interact. energy: -1.463
local terms energy: -160.251924
where:
bonds (distance) C4'-P energy: -32.235
bonds (distance) P-C4' energy: -43.757
flat angles C4'-P-C4' energy: -33.671
flat angles P-C4'-P energy: -28.837
tors. eta vs tors. theta energy: -21.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -307.808342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.808342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.808342 (E_RNA)
where:
Base-Base interactions energy: -149.443
where: short stacking energy: -93.601
Base-Backbone interact. energy: -0.902
local terms energy: -157.462881
where:
bonds (distance) C4'-P energy: -44.491
bonds (distance) P-C4' energy: -46.306
flat angles C4'-P-C4' energy: -32.256
flat angles P-C4'-P energy: -26.020
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: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -857.243631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.243631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.243631 (E_RNA)
where:
Base-Base interactions energy: -582.561
where: short stacking energy: -279.734
Base-Backbone interact. energy: 0.267
local terms energy: -274.950095
where:
bonds (distance) C4'-P energy: -49.288
bonds (distance) P-C4' energy: -44.886
flat angles C4'-P-C4' energy: -58.857
flat angles P-C4'-P energy: -36.773
tors. eta vs tors. theta energy: -85.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -847.139121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.139121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.139121 (E_RNA)
where:
Base-Base interactions energy: -599.823
where: short stacking energy: -232.418
Base-Backbone interact. energy: -1.155
local terms energy: -246.160877
where:
bonds (distance) C4'-P energy: -45.323
bonds (distance) P-C4' energy: -52.889
flat angles C4'-P-C4' energy: -47.387
flat angles P-C4'-P energy: -40.610
tors. eta vs tors. theta energy: -59.952
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: 379
Temperature: 1.000000
Total energy: -800.568023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.568023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.568023 (E_RNA)
where:
Base-Base interactions energy: -564.090
where: short stacking energy: -223.046
Base-Backbone interact. energy: 1.027
local terms energy: -237.505138
where:
bonds (distance) C4'-P energy: -41.349
bonds (distance) P-C4' energy: -46.335
flat angles C4'-P-C4' energy: -51.570
flat angles P-C4'-P energy: -36.869
tors. eta vs tors. theta energy: -61.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -746.445958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.445958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.445958 (E_RNA)
where:
Base-Base interactions energy: -511.805
where: short stacking energy: -198.679
Base-Backbone interact. energy: -0.263
local terms energy: -234.377456
where:
bonds (distance) C4'-P energy: -49.430
bonds (distance) P-C4' energy: -48.658
flat angles C4'-P-C4' energy: -48.187
flat angles P-C4'-P energy: -33.418
tors. eta vs tors. theta energy: -54.685
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: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -767.636060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.636060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.636060 (E_RNA)
where:
Base-Base interactions energy: -527.727
where: short stacking energy: -250.672
Base-Backbone interact. energy: -0.861
local terms energy: -239.048403
where:
bonds (distance) C4'-P energy: -46.321
bonds (distance) P-C4' energy: -48.032
flat angles C4'-P-C4' energy: -50.774
flat angles P-C4'-P energy: -25.953
tors. eta vs tors. theta energy: -67.969
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: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -703.561805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.561805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.561805 (E_RNA)
where:
Base-Base interactions energy: -478.594
where: short stacking energy: -224.425
Base-Backbone interact. energy: 0.829
local terms energy: -225.796660
where:
bonds (distance) C4'-P energy: -34.308
bonds (distance) P-C4' energy: -53.243
flat angles C4'-P-C4' energy: -47.240
flat angles P-C4'-P energy: -29.295
tors. eta vs tors. theta energy: -61.711
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: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -611.171864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.171864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.171864 (E_RNA)
where:
Base-Base interactions energy: -405.312
where: short stacking energy: -174.201
Base-Backbone interact. energy: -1.369
local terms energy: -204.491375
where:
bonds (distance) C4'-P energy: -46.392
bonds (distance) P-C4' energy: -56.564
flat angles C4'-P-C4' energy: -40.144
flat angles P-C4'-P energy: -21.264
tors. eta vs tors. theta energy: -40.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -622.490484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.490484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.490484 (E_RNA)
where:
Base-Base interactions energy: -441.381
where: short stacking energy: -188.855
Base-Backbone interact. energy: -1.465
local terms energy: -179.644533
where:
bonds (distance) C4'-P energy: -55.175
bonds (distance) P-C4' energy: -31.773
flat angles C4'-P-C4' energy: -33.231
flat angles P-C4'-P energy: -18.262
tors. eta vs tors. theta energy: -41.203
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: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -406.409004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.409004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.409004 (E_RNA)
where:
Base-Base interactions energy: -238.672
where: short stacking energy: -120.675
Base-Backbone interact. energy: 0.712
local terms energy: -168.448723
where:
bonds (distance) C4'-P energy: -42.816
bonds (distance) P-C4' energy: -42.226
flat angles C4'-P-C4' energy: -44.707
flat angles P-C4'-P energy: -23.232
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -303.068690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.068690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.068690 (E_RNA)
where:
Base-Base interactions energy: -150.962
where: short stacking energy: -90.334
Base-Backbone interact. energy: 0.614
local terms energy: -152.721031
where:
bonds (distance) C4'-P energy: -38.338
bonds (distance) P-C4' energy: -50.153
flat angles C4'-P-C4' energy: -41.418
flat angles P-C4'-P energy: -19.910
tors. eta vs tors. theta energy: -2.901
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: 1, replica: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -859.118293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.118293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.118293 (E_RNA)
where:
Base-Base interactions energy: -605.857
where: short stacking energy: -237.213
Base-Backbone interact. energy: -1.375
local terms energy: -251.886573
where:
bonds (distance) C4'-P energy: -44.108
bonds (distance) P-C4' energy: -49.695
flat angles C4'-P-C4' energy: -54.259
flat angles P-C4'-P energy: -43.422
tors. eta vs tors. theta energy: -60.402
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: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -842.797812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.797812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.797812 (E_RNA)
where:
Base-Base interactions energy: -588.356
where: short stacking energy: -263.499
Base-Backbone interact. energy: -0.249
local terms energy: -254.192775
where:
bonds (distance) C4'-P energy: -46.960
bonds (distance) P-C4' energy: -43.611
flat angles C4'-P-C4' energy: -51.760
flat angles P-C4'-P energy: -36.069
tors. eta vs tors. theta energy: -75.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -802.621064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.621064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.621064 (E_RNA)
where:
Base-Base interactions energy: -544.251
where: short stacking energy: -222.053
Base-Backbone interact. energy: -3.983
local terms energy: -254.387192
where:
bonds (distance) C4'-P energy: -46.079
bonds (distance) P-C4' energy: -49.011
flat angles C4'-P-C4' energy: -52.524
flat angles P-C4'-P energy: -35.348
tors. eta vs tors. theta energy: -71.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -761.619076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.619076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.619076 (E_RNA)
where:
Base-Base interactions energy: -526.208
where: short stacking energy: -222.467
Base-Backbone interact. energy: 1.651
local terms energy: -237.062173
where:
bonds (distance) C4'-P energy: -42.228
bonds (distance) P-C4' energy: -45.330
flat angles C4'-P-C4' energy: -56.357
flat angles P-C4'-P energy: -31.294
tors. eta vs tors. theta energy: -61.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -729.340904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.340904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.340904 (E_RNA)
where:
Base-Base interactions energy: -492.807
where: short stacking energy: -223.813
Base-Backbone interact. energy: -0.478
local terms energy: -236.056075
where:
bonds (distance) C4'-P energy: -44.485
bonds (distance) P-C4' energy: -41.917
flat angles C4'-P-C4' energy: -51.716
flat angles P-C4'-P energy: -34.480
tors. eta vs tors. theta energy: -63.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -737.680387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.680387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.680387 (E_RNA)
where:
Base-Base interactions energy: -503.886
where: short stacking energy: -224.546
Base-Backbone interact. energy: 0.397
local terms energy: -234.191215
where:
bonds (distance) C4'-P energy: -43.936
bonds (distance) P-C4' energy: -51.305
flat angles C4'-P-C4' energy: -51.517
flat angles P-C4'-P energy: -19.419
tors. eta vs tors. theta energy: -68.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -671.320460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.320460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.320460 (E_RNA)
where:
Base-Base interactions energy: -465.912
where: short stacking energy: -211.275
Base-Backbone interact. energy: 0.017
local terms energy: -205.425195
where:
bonds (distance) C4'-P energy: -32.871
bonds (distance) P-C4' energy: -47.791
flat angles C4'-P-C4' energy: -43.313
flat angles P-C4'-P energy: -30.284
tors. eta vs tors. theta energy: -51.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -617.296266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.296266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.296266 (E_RNA)
where:
Base-Base interactions energy: -420.682
where: short stacking energy: -179.895
Base-Backbone interact. energy: -1.829
local terms energy: -194.785086
where:
bonds (distance) C4'-P energy: -43.668
bonds (distance) P-C4' energy: -38.763
flat angles C4'-P-C4' energy: -39.421
flat angles P-C4'-P energy: -22.933
tors. eta vs tors. theta energy: -50.000
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: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -427.474213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.474213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.474213 (E_RNA)
where:
Base-Base interactions energy: -253.173
where: short stacking energy: -129.357
Base-Backbone interact. energy: 2.517
local terms energy: -176.818114
where:
bonds (distance) C4'-P energy: -42.465
bonds (distance) P-C4' energy: -43.108
flat angles C4'-P-C4' energy: -45.567
flat angles P-C4'-P energy: -32.499
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -306.155331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.155331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.155331 (E_RNA)
where:
Base-Base interactions energy: -162.404
where: short stacking energy: -73.178
Base-Backbone interact. energy: -0.112
local terms energy: -143.638920
where:
bonds (distance) C4'-P energy: -38.302
bonds (distance) P-C4' energy: -41.774
flat angles C4'-P-C4' energy: -39.616
flat angles P-C4'-P energy: -29.563
tors. eta vs tors. theta energy: 5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -859.881262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.881262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.881262 (E_RNA)
where:
Base-Base interactions energy: -609.351
where: short stacking energy: -248.702
Base-Backbone interact. energy: -1.726
local terms energy: -248.804787
where:
bonds (distance) C4'-P energy: -43.846
bonds (distance) P-C4' energy: -52.583
flat angles C4'-P-C4' energy: -55.663
flat angles P-C4'-P energy: -39.059
tors. eta vs tors. theta energy: -57.653
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: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -823.439865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.439865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.439865 (E_RNA)
where:
Base-Base interactions energy: -562.458
where: short stacking energy: -258.022
Base-Backbone interact. energy: -1.135
local terms energy: -259.846558
where:
bonds (distance) C4'-P energy: -44.532
bonds (distance) P-C4' energy: -45.116
flat angles C4'-P-C4' energy: -54.703
flat angles P-C4'-P energy: -40.305
tors. eta vs tors. theta energy: -75.191
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: 381
Temperature: 1.000000
Total energy: -846.643467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.643467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.643467 (E_RNA)
where:
Base-Base interactions energy: -584.397
where: short stacking energy: -247.782
Base-Backbone interact. energy: -0.578
local terms energy: -261.668333
where:
bonds (distance) C4'-P energy: -46.278
bonds (distance) P-C4' energy: -50.922
flat angles C4'-P-C4' energy: -52.948
flat angles P-C4'-P energy: -36.151
tors. eta vs tors. theta energy: -75.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -752.298202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.298202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.298202 (E_RNA)
where:
Base-Base interactions energy: -517.783
where: short stacking energy: -218.912
Base-Backbone interact. energy: 0.828
local terms energy: -235.343237
where:
bonds (distance) C4'-P energy: -39.317
bonds (distance) P-C4' energy: -47.042
flat angles C4'-P-C4' energy: -53.842
flat angles P-C4'-P energy: -38.401
tors. eta vs tors. theta energy: -56.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -708.430075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.430075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.430075 (E_RNA)
where:
Base-Base interactions energy: -489.323
where: short stacking energy: -209.339
Base-Backbone interact. energy: 1.816
local terms energy: -220.923752
where:
bonds (distance) C4'-P energy: -36.621
bonds (distance) P-C4' energy: -50.178
flat angles C4'-P-C4' energy: -49.566
flat angles P-C4'-P energy: -33.472
tors. eta vs tors. theta energy: -51.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -736.474591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.474591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.474591 (E_RNA)
where:
Base-Base interactions energy: -498.416
where: short stacking energy: -213.725
Base-Backbone interact. energy: -1.882
local terms energy: -236.177178
where:
bonds (distance) C4'-P energy: -42.267
bonds (distance) P-C4' energy: -49.341
flat angles C4'-P-C4' energy: -49.265
flat angles P-C4'-P energy: -32.058
tors. eta vs tors. theta energy: -63.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -660.671567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.671567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.671567 (E_RNA)
where:
Base-Base interactions energy: -454.507
where: short stacking energy: -185.575
Base-Backbone interact. energy: 2.377
local terms energy: -208.541590
where:
bonds (distance) C4'-P energy: -35.183
bonds (distance) P-C4' energy: -41.011
flat angles C4'-P-C4' energy: -43.445
flat angles P-C4'-P energy: -36.667
tors. eta vs tors. theta energy: -52.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -621.141701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.141701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.141701 (E_RNA)
where:
Base-Base interactions energy: -416.869
where: short stacking energy: -178.314
Base-Backbone interact. energy: 2.458
local terms energy: -206.731036
where:
bonds (distance) C4'-P energy: -39.539
bonds (distance) P-C4' energy: -44.411
flat angles C4'-P-C4' energy: -41.868
flat angles P-C4'-P energy: -27.509
tors. eta vs tors. theta energy: -53.404
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: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -442.290692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.290692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.290692 (E_RNA)
where:
Base-Base interactions energy: -261.385
where: short stacking energy: -130.301
Base-Backbone interact. energy: -0.761
local terms energy: -180.144876
where:
bonds (distance) C4'-P energy: -43.126
bonds (distance) P-C4' energy: -49.720
flat angles C4'-P-C4' energy: -35.007
flat angles P-C4'-P energy: -29.079
tors. eta vs tors. theta energy: -23.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -375.826351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.826351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.826351 (E_RNA)
where:
Base-Base interactions energy: -219.664
where: short stacking energy: -105.793
Base-Backbone interact. energy: 0.777
local terms energy: -156.938596
where:
bonds (distance) C4'-P energy: -37.339
bonds (distance) P-C4' energy: -43.179
flat angles C4'-P-C4' energy: -41.195
flat angles P-C4'-P energy: -24.685
tors. eta vs tors. theta energy: -10.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -847.588371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.588371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.588371 (E_RNA)
where:
Base-Base interactions energy: -581.521
where: short stacking energy: -252.655
Base-Backbone interact. energy: -0.825
local terms energy: -265.242472
where:
bonds (distance) C4'-P energy: -52.466
bonds (distance) P-C4' energy: -47.880
flat angles C4'-P-C4' energy: -53.606
flat angles P-C4'-P energy: -37.307
tors. eta vs tors. theta energy: -73.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -846.540329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.540329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.540329 (E_RNA)
where:
Base-Base interactions energy: -587.950
where: short stacking energy: -241.876
Base-Backbone interact. energy: -1.253
local terms energy: -257.337355
where:
bonds (distance) C4'-P energy: -54.044
bonds (distance) P-C4' energy: -50.383
flat angles C4'-P-C4' energy: -57.135
flat angles P-C4'-P energy: -37.898
tors. eta vs tors. theta energy: -57.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -824.793605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.793605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.793605 (E_RNA)
where:
Base-Base interactions energy: -571.340
where: short stacking energy: -254.363
Base-Backbone interact. energy: 1.950
local terms energy: -255.403606
where:
bonds (distance) C4'-P energy: -48.967
bonds (distance) P-C4' energy: -44.917
flat angles C4'-P-C4' energy: -49.428
flat angles P-C4'-P energy: -35.215
tors. eta vs tors. theta energy: -76.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -769.426293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.426293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.426293 (E_RNA)
where:
Base-Base interactions energy: -547.439
where: short stacking energy: -217.028
Base-Backbone interact. energy: -1.071
local terms energy: -220.916820
where:
bonds (distance) C4'-P energy: -39.737
bonds (distance) P-C4' energy: -49.044
flat angles C4'-P-C4' energy: -50.055
flat angles P-C4'-P energy: -23.093
tors. eta vs tors. theta energy: -58.988
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: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -766.993063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.993063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.993063 (E_RNA)
where:
Base-Base interactions energy: -521.139
where: short stacking energy: -243.082
Base-Backbone interact. energy: -0.943
local terms energy: -244.910179
where:
bonds (distance) C4'-P energy: -44.142
bonds (distance) P-C4' energy: -38.985
flat angles C4'-P-C4' energy: -56.170
flat angles P-C4'-P energy: -32.253
tors. eta vs tors. theta energy: -73.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -720.949933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.949933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.949933 (E_RNA)
where:
Base-Base interactions energy: -509.327
where: short stacking energy: -223.585
Base-Backbone interact. energy: 1.558
local terms energy: -213.180145
where:
bonds (distance) C4'-P energy: -34.161
bonds (distance) P-C4' energy: -40.158
flat angles C4'-P-C4' energy: -44.609
flat angles P-C4'-P energy: -31.737
tors. eta vs tors. theta energy: -62.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -657.623659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.623659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.623659 (E_RNA)
where:
Base-Base interactions energy: -419.928
where: short stacking energy: -192.433
Base-Backbone interact. energy: -0.737
local terms energy: -236.958466
where:
bonds (distance) C4'-P energy: -44.315
bonds (distance) P-C4' energy: -49.618
flat angles C4'-P-C4' energy: -48.644
flat angles P-C4'-P energy: -33.204
tors. eta vs tors. theta energy: -61.177
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: 8, replica: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -582.615330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.615330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.615330 (E_RNA)
where:
Base-Base interactions energy: -378.978
where: short stacking energy: -176.205
Base-Backbone interact. energy: -1.399
local terms energy: -202.237842
where:
bonds (distance) C4'-P energy: -29.205
bonds (distance) P-C4' energy: -47.905
flat angles C4'-P-C4' energy: -42.102
flat angles P-C4'-P energy: -35.116
tors. eta vs tors. theta energy: -47.910
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: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -410.112807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.112807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.112807 (E_RNA)
where:
Base-Base interactions energy: -246.376
where: short stacking energy: -121.435
Base-Backbone interact. energy: -0.304
local terms energy: -163.432425
where:
bonds (distance) C4'-P energy: -37.520
bonds (distance) P-C4' energy: -31.008
flat angles C4'-P-C4' energy: -42.454
flat angles P-C4'-P energy: -31.085
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -367.534327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.534327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.534327 (E_RNA)
where:
Base-Base interactions energy: -216.116
where: short stacking energy: -96.156
Base-Backbone interact. energy: 1.264
local terms energy: -152.682566
where:
bonds (distance) C4'-P energy: -29.737
bonds (distance) P-C4' energy: -46.695
flat angles C4'-P-C4' energy: -51.068
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -10.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -826.953812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.953812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.953812 (E_RNA)
where:
Base-Base interactions energy: -569.094
where: short stacking energy: -237.664
Base-Backbone interact. energy: -3.981
local terms energy: -253.878767
where:
bonds (distance) C4'-P energy: -42.742
bonds (distance) P-C4' energy: -49.999
flat angles C4'-P-C4' energy: -58.171
flat angles P-C4'-P energy: -34.046
tors. eta vs tors. theta energy: -68.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -845.018469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.018469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.018469 (E_RNA)
where:
Base-Base interactions energy: -582.355
where: short stacking energy: -256.772
Base-Backbone interact. energy: 0.985
local terms energy: -263.648445
where:
bonds (distance) C4'-P energy: -46.278
bonds (distance) P-C4' energy: -51.568
flat angles C4'-P-C4' energy: -52.801
flat angles P-C4'-P energy: -42.002
tors. eta vs tors. theta energy: -70.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -806.922961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.922961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.922961 (E_RNA)
where:
Base-Base interactions energy: -577.750
where: short stacking energy: -231.954
Base-Backbone interact. energy: -1.020
local terms energy: -228.152775
where:
bonds (distance) C4'-P energy: -47.348
bonds (distance) P-C4' energy: -44.128
flat angles C4'-P-C4' energy: -48.294
flat angles P-C4'-P energy: -36.385
tors. eta vs tors. theta energy: -51.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -780.526521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.526521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.526521 (E_RNA)
where:
Base-Base interactions energy: -533.998
where: short stacking energy: -241.567
Base-Backbone interact. energy: -0.663
local terms energy: -245.865605
where:
bonds (distance) C4'-P energy: -42.322
bonds (distance) P-C4' energy: -47.015
flat angles C4'-P-C4' energy: -53.527
flat angles P-C4'-P energy: -37.176
tors. eta vs tors. theta energy: -65.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -719.212617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.212617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.212617 (E_RNA)
where:
Base-Base interactions energy: -500.711
where: short stacking energy: -215.562
Base-Backbone interact. energy: 0.187
local terms energy: -218.688865
where:
bonds (distance) C4'-P energy: -38.713
bonds (distance) P-C4' energy: -46.050
flat angles C4'-P-C4' energy: -48.175
flat angles P-C4'-P energy: -34.381
tors. eta vs tors. theta energy: -51.370
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: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -651.088575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.088575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.088575 (E_RNA)
where:
Base-Base interactions energy: -447.966
where: short stacking energy: -197.632
Base-Backbone interact. energy: -0.675
local terms energy: -202.447568
where:
bonds (distance) C4'-P energy: -50.532
bonds (distance) P-C4' energy: -34.747
flat angles C4'-P-C4' energy: -45.313
flat angles P-C4'-P energy: -27.059
tors. eta vs tors. theta energy: -44.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -667.936457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.936457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.936457 (E_RNA)
where:
Base-Base interactions energy: -461.788
where: short stacking energy: -198.515
Base-Backbone interact. energy: 0.897
local terms energy: -207.045462
where:
bonds (distance) C4'-P energy: -42.951
bonds (distance) P-C4' energy: -40.224
flat angles C4'-P-C4' energy: -54.168
flat angles P-C4'-P energy: -27.954
tors. eta vs tors. theta energy: -41.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -584.193107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.193107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.193107 (E_RNA)
where:
Base-Base interactions energy: -378.737
where: short stacking energy: -162.742
Base-Backbone interact. energy: -1.434
local terms energy: -204.022829
where:
bonds (distance) C4'-P energy: -45.828
bonds (distance) P-C4' energy: -43.234
flat angles C4'-P-C4' energy: -45.177
flat angles P-C4'-P energy: -31.377
tors. eta vs tors. theta energy: -38.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -367.024084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.024084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.024084 (E_RNA)
where:
Base-Base interactions energy: -219.680
where: short stacking energy: -112.327
Base-Backbone interact. energy: 0.419
local terms energy: -147.763143
where:
bonds (distance) C4'-P energy: -38.601
bonds (distance) P-C4' energy: -43.732
flat angles C4'-P-C4' energy: -38.362
flat angles P-C4'-P energy: -20.485
tors. eta vs tors. theta energy: -6.584
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: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -391.250212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.250212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.250212 (E_RNA)
where:
Base-Base interactions energy: -234.687
where: short stacking energy: -102.766
Base-Backbone interact. energy: -1.858
local terms energy: -154.706016
where:
bonds (distance) C4'-P energy: -36.487
bonds (distance) P-C4' energy: -30.852
flat angles C4'-P-C4' energy: -38.407
flat angles P-C4'-P energy: -27.877
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -850.422899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.422899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.422899 (E_RNA)
where:
Base-Base interactions energy: -588.030
where: short stacking energy: -258.812
Base-Backbone interact. energy: 4.657
local terms energy: -267.049974
where:
bonds (distance) C4'-P energy: -43.534
bonds (distance) P-C4' energy: -54.027
flat angles C4'-P-C4' energy: -53.896
flat angles P-C4'-P energy: -42.181
tors. eta vs tors. theta energy: -73.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -815.216400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.216400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.216400 (E_RNA)
where:
Base-Base interactions energy: -557.598
where: short stacking energy: -234.213
Base-Backbone interact. energy: -1.740
local terms energy: -255.877778
where:
bonds (distance) C4'-P energy: -50.236
bonds (distance) P-C4' energy: -45.180
flat angles C4'-P-C4' energy: -54.172
flat angles P-C4'-P energy: -36.133
tors. eta vs tors. theta energy: -70.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -821.033696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.033696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.033696 (E_RNA)
where:
Base-Base interactions energy: -590.336
where: short stacking energy: -236.918
Base-Backbone interact. energy: 1.193
local terms energy: -231.890406
where:
bonds (distance) C4'-P energy: -38.078
bonds (distance) P-C4' energy: -44.275
flat angles C4'-P-C4' energy: -51.368
flat angles P-C4'-P energy: -38.419
tors. eta vs tors. theta energy: -59.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -774.384787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.384787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.384787 (E_RNA)
where:
Base-Base interactions energy: -543.111
where: short stacking energy: -236.781
Base-Backbone interact. energy: 0.831
local terms energy: -232.104592
where:
bonds (distance) C4'-P energy: -44.651
bonds (distance) P-C4' energy: -43.501
flat angles C4'-P-C4' energy: -58.761
flat angles P-C4'-P energy: -28.233
tors. eta vs tors. theta energy: -56.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -694.710990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.710990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.710990 (E_RNA)
where:
Base-Base interactions energy: -487.746
where: short stacking energy: -212.540
Base-Backbone interact. energy: -0.208
local terms energy: -206.757224
where:
bonds (distance) C4'-P energy: -43.869
bonds (distance) P-C4' energy: -43.169
flat angles C4'-P-C4' energy: -46.261
flat angles P-C4'-P energy: -27.562
tors. eta vs tors. theta energy: -45.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -720.923908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.923908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.923908 (E_RNA)
where:
Base-Base interactions energy: -503.308
where: short stacking energy: -207.085
Base-Backbone interact. energy: 1.211
local terms energy: -218.826679
where:
bonds (distance) C4'-P energy: -44.998
bonds (distance) P-C4' energy: -44.223
flat angles C4'-P-C4' energy: -46.156
flat angles P-C4'-P energy: -32.782
tors. eta vs tors. theta energy: -50.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -603.081683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.081683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.081683 (E_RNA)
where:
Base-Base interactions energy: -417.996
where: short stacking energy: -170.452
Base-Backbone interact. energy: -1.207
local terms energy: -183.879068
where:
bonds (distance) C4'-P energy: -43.154
bonds (distance) P-C4' energy: -44.564
flat angles C4'-P-C4' energy: -41.267
flat angles P-C4'-P energy: -23.263
tors. eta vs tors. theta energy: -31.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -653.223160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.223160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.223160 (E_RNA)
where:
Base-Base interactions energy: -461.827
where: short stacking energy: -192.066
Base-Backbone interact. energy: 0.257
local terms energy: -191.652382
where:
bonds (distance) C4'-P energy: -29.853
bonds (distance) P-C4' energy: -38.024
flat angles C4'-P-C4' energy: -44.784
flat angles P-C4'-P energy: -27.130
tors. eta vs tors. theta energy: -51.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -407.875683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.875683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.875683 (E_RNA)
where:
Base-Base interactions energy: -244.615
where: short stacking energy: -120.817
Base-Backbone interact. energy: 1.762
local terms energy: -165.023304
where:
bonds (distance) C4'-P energy: -34.273
bonds (distance) P-C4' energy: -47.216
flat angles C4'-P-C4' energy: -38.485
flat angles P-C4'-P energy: -21.410
tors. eta vs tors. theta energy: -23.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -335.282108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.282108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.282108 (E_RNA)
where:
Base-Base interactions energy: -194.650
where: short stacking energy: -85.581
Base-Backbone interact. energy: -1.002
local terms energy: -139.630172
where:
bonds (distance) C4'-P energy: -40.202
bonds (distance) P-C4' energy: -43.899
flat angles C4'-P-C4' energy: -41.954
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -855.736916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.736916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.736916 (E_RNA)
where:
Base-Base interactions energy: -595.781
where: short stacking energy: -266.854
Base-Backbone interact. energy: 2.638
local terms energy: -262.593968
where:
bonds (distance) C4'-P energy: -48.096
bonds (distance) P-C4' energy: -49.025
flat angles C4'-P-C4' energy: -55.360
flat angles P-C4'-P energy: -38.288
tors. eta vs tors. theta energy: -71.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -822.803823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.803823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.803823 (E_RNA)
where:
Base-Base interactions energy: -557.485
where: short stacking energy: -230.803
Base-Backbone interact. energy: 0.864
local terms energy: -266.183426
where:
bonds (distance) C4'-P energy: -49.391
bonds (distance) P-C4' energy: -55.104
flat angles C4'-P-C4' energy: -53.991
flat angles P-C4'-P energy: -42.644
tors. eta vs tors. theta energy: -65.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -824.537220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.537220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.537220 (E_RNA)
where:
Base-Base interactions energy: -571.465
where: short stacking energy: -233.693
Base-Backbone interact. energy: -1.114
local terms energy: -251.958564
where:
bonds (distance) C4'-P energy: -45.819
bonds (distance) P-C4' energy: -50.670
flat angles C4'-P-C4' energy: -47.425
flat angles P-C4'-P energy: -39.758
tors. eta vs tors. theta energy: -68.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -771.259267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.259267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.259267 (E_RNA)
where:
Base-Base interactions energy: -541.906
where: short stacking energy: -242.053
Base-Backbone interact. energy: -1.117
local terms energy: -228.236584
where:
bonds (distance) C4'-P energy: -30.020
bonds (distance) P-C4' energy: -44.561
flat angles C4'-P-C4' energy: -52.475
flat angles P-C4'-P energy: -31.805
tors. eta vs tors. theta energy: -69.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -706.411186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.411186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.411186 (E_RNA)
where:
Base-Base interactions energy: -491.222
where: short stacking energy: -215.880
Base-Backbone interact. energy: -0.570
local terms energy: -214.619373
where:
bonds (distance) C4'-P energy: -35.193
bonds (distance) P-C4' energy: -45.422
flat angles C4'-P-C4' energy: -48.570
flat angles P-C4'-P energy: -33.065
tors. eta vs tors. theta energy: -52.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -722.708791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.708791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.708791 (E_RNA)
where:
Base-Base interactions energy: -503.133
where: short stacking energy: -196.327
Base-Backbone interact. energy: 0.300
local terms energy: -219.876269
where:
bonds (distance) C4'-P energy: -37.654
bonds (distance) P-C4' energy: -51.025
flat angles C4'-P-C4' energy: -46.322
flat angles P-C4'-P energy: -39.459
tors. eta vs tors. theta energy: -45.416
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: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -625.900277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.900277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.900277 (E_RNA)
where:
Base-Base interactions energy: -413.458
where: short stacking energy: -177.953
Base-Backbone interact. energy: -1.598
local terms energy: -210.843981
where:
bonds (distance) C4'-P energy: -40.718
bonds (distance) P-C4' energy: -47.532
flat angles C4'-P-C4' energy: -51.119
flat angles P-C4'-P energy: -26.372
tors. eta vs tors. theta energy: -45.102
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: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -621.246156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.246156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.246156 (E_RNA)
where:
Base-Base interactions energy: -442.811
where: short stacking energy: -185.810
Base-Backbone interact. energy: -1.312
local terms energy: -177.122847
where:
bonds (distance) C4'-P energy: -42.789
bonds (distance) P-C4' energy: -44.033
flat angles C4'-P-C4' energy: -33.656
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -40.682
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: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -407.471063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.471063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.471063 (E_RNA)
where:
Base-Base interactions energy: -235.932
where: short stacking energy: -119.589
Base-Backbone interact. energy: -0.506
local terms energy: -171.033114
where:
bonds (distance) C4'-P energy: -32.097
bonds (distance) P-C4' energy: -51.020
flat angles C4'-P-C4' energy: -36.520
flat angles P-C4'-P energy: -25.896
tors. eta vs tors. theta energy: -25.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -353.381021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.381021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.381021 (E_RNA)
where:
Base-Base interactions energy: -195.929
where: short stacking energy: -98.408
Base-Backbone interact. energy: 0.694
local terms energy: -158.146482
where:
bonds (distance) C4'-P energy: -37.673
bonds (distance) P-C4' energy: -41.817
flat angles C4'-P-C4' energy: -42.225
flat angles P-C4'-P energy: -21.770
tors. eta vs tors. theta energy: -14.661
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: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -835.787832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.787832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.787832 (E_RNA)
where:
Base-Base interactions energy: -587.277
where: short stacking energy: -247.833
Base-Backbone interact. energy: 0.544
local terms energy: -249.054899
where:
bonds (distance) C4'-P energy: -44.059
bonds (distance) P-C4' energy: -50.993
flat angles C4'-P-C4' energy: -52.271
flat angles P-C4'-P energy: -38.183
tors. eta vs tors. theta energy: -63.548
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: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -847.022074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.022074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.022074 (E_RNA)
where:
Base-Base interactions energy: -587.281
where: short stacking energy: -258.706
Base-Backbone interact. energy: 1.285
local terms energy: -261.026631
where:
bonds (distance) C4'-P energy: -50.371
bonds (distance) P-C4' energy: -45.282
flat angles C4'-P-C4' energy: -58.282
flat angles P-C4'-P energy: -31.643
tors. eta vs tors. theta energy: -75.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -806.546023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.546023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.546023 (E_RNA)
where:
Base-Base interactions energy: -548.333
where: short stacking energy: -243.682
Base-Backbone interact. energy: -0.301
local terms energy: -257.911229
where:
bonds (distance) C4'-P energy: -40.074
bonds (distance) P-C4' energy: -50.771
flat angles C4'-P-C4' energy: -53.231
flat angles P-C4'-P energy: -40.066
tors. eta vs tors. theta energy: -73.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -780.663126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.663126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.663126 (E_RNA)
where:
Base-Base interactions energy: -535.204
where: short stacking energy: -234.709
Base-Backbone interact. energy: -1.368
local terms energy: -244.091589
where:
bonds (distance) C4'-P energy: -39.587
bonds (distance) P-C4' energy: -56.893
flat angles C4'-P-C4' energy: -51.634
flat angles P-C4'-P energy: -26.731
tors. eta vs tors. theta energy: -69.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -749.729520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.729520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.729520 (E_RNA)
where:
Base-Base interactions energy: -542.912
where: short stacking energy: -214.009
Base-Backbone interact. energy: -0.358
local terms energy: -206.459133
where:
bonds (distance) C4'-P energy: -45.304
bonds (distance) P-C4' energy: -39.783
flat angles C4'-P-C4' energy: -40.102
flat angles P-C4'-P energy: -31.785
tors. eta vs tors. theta energy: -49.485
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: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -671.162057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.162057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.162057 (E_RNA)
where:
Base-Base interactions energy: -465.482
where: short stacking energy: -195.952
Base-Backbone interact. energy: -1.268
local terms energy: -204.412447
where:
bonds (distance) C4'-P energy: -38.581
bonds (distance) P-C4' energy: -35.591
flat angles C4'-P-C4' energy: -48.380
flat angles P-C4'-P energy: -31.745
tors. eta vs tors. theta energy: -50.117
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: 7, replica: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -672.879996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.879996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.879996 (E_RNA)
where:
Base-Base interactions energy: -461.131
where: short stacking energy: -187.875
Base-Backbone interact. energy: 1.473
local terms energy: -213.222321
where:
bonds (distance) C4'-P energy: -47.358
bonds (distance) P-C4' energy: -39.757
flat angles C4'-P-C4' energy: -46.289
flat angles P-C4'-P energy: -27.000
tors. eta vs tors. theta energy: -52.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -618.368566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.368566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.368566 (E_RNA)
where:
Base-Base interactions energy: -432.038
where: short stacking energy: -183.166
Base-Backbone interact. energy: -0.625
local terms energy: -185.705889
where:
bonds (distance) C4'-P energy: -36.008
bonds (distance) P-C4' energy: -51.158
flat angles C4'-P-C4' energy: -33.829
flat angles P-C4'-P energy: -22.116
tors. eta vs tors. theta energy: -42.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -399.888330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.888330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.888330 (E_RNA)
where:
Base-Base interactions energy: -248.288
where: short stacking energy: -132.521
Base-Backbone interact. energy: -1.859
local terms energy: -149.741323
where:
bonds (distance) C4'-P energy: -39.941
bonds (distance) P-C4' energy: -34.279
flat angles C4'-P-C4' energy: -41.184
flat angles P-C4'-P energy: -20.537
tors. eta vs tors. theta energy: -13.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -347.313700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.313700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.313700 (E_RNA)
where:
Base-Base interactions energy: -191.944
where: short stacking energy: -94.476
Base-Backbone interact. energy: -0.035
local terms energy: -155.334642
where:
bonds (distance) C4'-P energy: -47.381
bonds (distance) P-C4' energy: -41.615
flat angles C4'-P-C4' energy: -41.412
flat angles P-C4'-P energy: -22.775
tors. eta vs tors. theta energy: -2.152
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: 387
Temperature: 0.900000
Total energy: -845.200963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.200963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.200963 (E_RNA)
where:
Base-Base interactions energy: -598.791
where: short stacking energy: -241.304
Base-Backbone interact. energy: 1.113
local terms energy: -247.523142
where:
bonds (distance) C4'-P energy: -49.927
bonds (distance) P-C4' energy: -45.306
flat angles C4'-P-C4' energy: -55.501
flat angles P-C4'-P energy: -36.813
tors. eta vs tors. theta energy: -59.977
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: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -827.602967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.602967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.602967 (E_RNA)
where:
Base-Base interactions energy: -557.265
where: short stacking energy: -264.475
Base-Backbone interact. energy: 1.444
local terms energy: -271.781964
where:
bonds (distance) C4'-P energy: -47.563
bonds (distance) P-C4' energy: -52.680
flat angles C4'-P-C4' energy: -57.171
flat angles P-C4'-P energy: -38.990
tors. eta vs tors. theta energy: -75.379
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: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -804.318994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.318994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.318994 (E_RNA)
where:
Base-Base interactions energy: -559.537
where: short stacking energy: -239.865
Base-Backbone interact. energy: -0.047
local terms energy: -244.734713
where:
bonds (distance) C4'-P energy: -35.449
bonds (distance) P-C4' energy: -47.741
flat angles C4'-P-C4' energy: -52.685
flat angles P-C4'-P energy: -34.407
tors. eta vs tors. theta energy: -74.453
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: 4, replica: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -775.699993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.699993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.699993 (E_RNA)
where:
Base-Base interactions energy: -537.562
where: short stacking energy: -208.275
Base-Backbone interact. energy: -1.870
local terms energy: -236.267586
where:
bonds (distance) C4'-P energy: -46.784
bonds (distance) P-C4' energy: -49.453
flat angles C4'-P-C4' energy: -44.099
flat angles P-C4'-P energy: -36.485
tors. eta vs tors. theta energy: -59.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -732.221133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.221133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.221133 (E_RNA)
where:
Base-Base interactions energy: -511.049
where: short stacking energy: -210.797
Base-Backbone interact. energy: -0.800
local terms energy: -220.371557
where:
bonds (distance) C4'-P energy: -40.522
bonds (distance) P-C4' energy: -42.389
flat angles C4'-P-C4' energy: -54.334
flat angles P-C4'-P energy: -27.397
tors. eta vs tors. theta energy: -55.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -721.560139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.560139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.560139 (E_RNA)
where:
Base-Base interactions energy: -496.726
where: short stacking energy: -202.170
Base-Backbone interact. energy: -0.121
local terms energy: -224.712670
where:
bonds (distance) C4'-P energy: -40.841
bonds (distance) P-C4' energy: -37.633
flat angles C4'-P-C4' energy: -50.328
flat angles P-C4'-P energy: -36.898
tors. eta vs tors. theta energy: -59.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -650.543792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.543792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.543792 (E_RNA)
where:
Base-Base interactions energy: -452.373
where: short stacking energy: -194.310
Base-Backbone interact. energy: -1.339
local terms energy: -196.831677
where:
bonds (distance) C4'-P energy: -32.056
bonds (distance) P-C4' energy: -42.462
flat angles C4'-P-C4' energy: -45.029
flat angles P-C4'-P energy: -26.878
tors. eta vs tors. theta energy: -50.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -606.291360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.291360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.291360 (E_RNA)
where:
Base-Base interactions energy: -409.292
where: short stacking energy: -180.962
Base-Backbone interact. energy: 0.757
local terms energy: -197.756856
where:
bonds (distance) C4'-P energy: -39.236
bonds (distance) P-C4' energy: -36.023
flat angles C4'-P-C4' energy: -44.389
flat angles P-C4'-P energy: -36.394
tors. eta vs tors. theta energy: -41.715
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: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -414.741431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.741431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.741431 (E_RNA)
where:
Base-Base interactions energy: -252.937
where: short stacking energy: -136.497
Base-Backbone interact. energy: 2.548
local terms energy: -164.352160
where:
bonds (distance) C4'-P energy: -38.036
bonds (distance) P-C4' energy: -44.392
flat angles C4'-P-C4' energy: -46.278
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -28.292
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: 10, replica: 7
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -364.273146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.273146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.273146 (E_RNA)
where:
Base-Base interactions energy: -216.082
where: short stacking energy: -102.502
Base-Backbone interact. energy: 2.978
local terms energy: -151.168732
where:
bonds (distance) C4'-P energy: -32.974
bonds (distance) P-C4' energy: -52.236
flat angles C4'-P-C4' energy: -37.659
flat angles P-C4'-P energy: -25.303
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -868.266417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.266417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.266417 (E_RNA)
where:
Base-Base interactions energy: -589.454
where: short stacking energy: -264.699
Base-Backbone interact. energy: -0.161
local terms energy: -278.651636
where:
bonds (distance) C4'-P energy: -51.393
bonds (distance) P-C4' energy: -50.189
flat angles C4'-P-C4' energy: -55.173
flat angles P-C4'-P energy: -39.804
tors. eta vs tors. theta energy: -82.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -821.517486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.517486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.517486 (E_RNA)
where:
Base-Base interactions energy: -574.866
where: short stacking energy: -236.049
Base-Backbone interact. energy: -3.363
local terms energy: -243.289000
where:
bonds (distance) C4'-P energy: -43.477
bonds (distance) P-C4' energy: -44.490
flat angles C4'-P-C4' energy: -57.014
flat angles P-C4'-P energy: -39.209
tors. eta vs tors. theta energy: -59.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -816.425909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.425909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.425909 (E_RNA)
where:
Base-Base interactions energy: -561.697
where: short stacking energy: -247.117
Base-Backbone interact. energy: -0.302
local terms energy: -254.426635
where:
bonds (distance) C4'-P energy: -36.557
bonds (distance) P-C4' energy: -46.782
flat angles C4'-P-C4' energy: -61.362
flat angles P-C4'-P energy: -41.209
tors. eta vs tors. theta energy: -68.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -778.343545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.343545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.343545 (E_RNA)
where:
Base-Base interactions energy: -563.353
where: short stacking energy: -211.768
Base-Backbone interact. energy: -0.708
local terms energy: -214.282710
where:
bonds (distance) C4'-P energy: -31.647
bonds (distance) P-C4' energy: -52.761
flat angles C4'-P-C4' energy: -52.202
flat angles P-C4'-P energy: -29.385
tors. eta vs tors. theta energy: -48.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -722.673008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.673008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.673008 (E_RNA)
where:
Base-Base interactions energy: -502.503
where: short stacking energy: -203.151
Base-Backbone interact. energy: -1.175
local terms energy: -218.995052
where:
bonds (distance) C4'-P energy: -44.316
bonds (distance) P-C4' energy: -45.497
flat angles C4'-P-C4' energy: -49.739
flat angles P-C4'-P energy: -23.766
tors. eta vs tors. theta energy: -55.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -702.014414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.014414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.014414 (E_RNA)
where:
Base-Base interactions energy: -475.796
where: short stacking energy: -201.615
Base-Backbone interact. energy: -1.307
local terms energy: -224.911891
where:
bonds (distance) C4'-P energy: -35.659
bonds (distance) P-C4' energy: -47.147
flat angles C4'-P-C4' energy: -51.368
flat angles P-C4'-P energy: -34.367
tors. eta vs tors. theta energy: -56.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -626.837074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.837074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.837074 (E_RNA)
where:
Base-Base interactions energy: -423.034
where: short stacking energy: -178.374
Base-Backbone interact. energy: 0.959
local terms energy: -204.761963
where:
bonds (distance) C4'-P energy: -37.904
bonds (distance) P-C4' energy: -42.656
flat angles C4'-P-C4' energy: -50.925
flat angles P-C4'-P energy: -27.079
tors. eta vs tors. theta energy: -46.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -608.790132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.790132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.790132 (E_RNA)
where:
Base-Base interactions energy: -421.727
where: short stacking energy: -174.823
Base-Backbone interact. energy: -0.414
local terms energy: -186.649081
where:
bonds (distance) C4'-P energy: -33.020
bonds (distance) P-C4' energy: -47.861
flat angles C4'-P-C4' energy: -34.466
flat angles P-C4'-P energy: -29.906
tors. eta vs tors. theta energy: -41.397
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: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -362.315213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.315213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.315213 (E_RNA)
where:
Base-Base interactions energy: -217.678
where: short stacking energy: -124.315
Base-Backbone interact. energy: 0.086
local terms energy: -144.722698
where:
bonds (distance) C4'-P energy: -38.621
bonds (distance) P-C4' energy: -38.391
flat angles C4'-P-C4' energy: -38.648
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: -10.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -316.660212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.660212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.660212 (E_RNA)
where:
Base-Base interactions energy: -168.659
where: short stacking energy: -91.843
Base-Backbone interact. energy: -1.270
local terms energy: -146.730634
where:
bonds (distance) C4'-P energy: -40.353
bonds (distance) P-C4' energy: -37.711
flat angles C4'-P-C4' energy: -30.687
flat angles P-C4'-P energy: -23.275
tors. eta vs tors. theta energy: -14.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -860.194178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.194178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.194178 (E_RNA)
where:
Base-Base interactions energy: -586.717
where: short stacking energy: -273.714
Base-Backbone interact. energy: -0.722
local terms energy: -272.755627
where:
bonds (distance) C4'-P energy: -45.966
bonds (distance) P-C4' energy: -51.507
flat angles C4'-P-C4' energy: -55.002
flat angles P-C4'-P energy: -40.601
tors. eta vs tors. theta energy: -79.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -828.503274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.503274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.503274 (E_RNA)
where:
Base-Base interactions energy: -597.880
where: short stacking energy: -244.614
Base-Backbone interact. energy: -0.473
local terms energy: -230.149620
where:
bonds (distance) C4'-P energy: -46.580
bonds (distance) P-C4' energy: -52.253
flat angles C4'-P-C4' energy: -48.412
flat angles P-C4'-P energy: -25.133
tors. eta vs tors. theta energy: -57.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -789.125906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.125906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.125906 (E_RNA)
where:
Base-Base interactions energy: -536.360
where: short stacking energy: -232.702
Base-Backbone interact. energy: 0.385
local terms energy: -253.151148
where:
bonds (distance) C4'-P energy: -54.821
bonds (distance) P-C4' energy: -48.040
flat angles C4'-P-C4' energy: -50.787
flat angles P-C4'-P energy: -32.653
tors. eta vs tors. theta energy: -66.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -756.445992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.445992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.445992 (E_RNA)
where:
Base-Base interactions energy: -536.590
where: short stacking energy: -211.129
Base-Backbone interact. energy: 0.287
local terms energy: -220.143101
where:
bonds (distance) C4'-P energy: -37.224
bonds (distance) P-C4' energy: -42.744
flat angles C4'-P-C4' energy: -50.899
flat angles P-C4'-P energy: -35.446
tors. eta vs tors. theta energy: -53.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -761.873246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.873246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.873246 (E_RNA)
where:
Base-Base interactions energy: -540.030
where: short stacking energy: -226.081
Base-Backbone interact. energy: -1.193
local terms energy: -220.649983
where:
bonds (distance) C4'-P energy: -40.665
bonds (distance) P-C4' energy: -45.529
flat angles C4'-P-C4' energy: -48.476
flat angles P-C4'-P energy: -25.104
tors. eta vs tors. theta energy: -60.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -686.816500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.816500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.816500 (E_RNA)
where:
Base-Base interactions energy: -487.582
where: short stacking energy: -193.737
Base-Backbone interact. energy: 0.260
local terms energy: -199.494958
where:
bonds (distance) C4'-P energy: -41.493
bonds (distance) P-C4' energy: -39.099
flat angles C4'-P-C4' energy: -39.368
flat angles P-C4'-P energy: -28.176
tors. eta vs tors. theta energy: -51.360
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: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -628.602870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.602870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.602870 (E_RNA)
where:
Base-Base interactions energy: -425.048
where: short stacking energy: -181.048
Base-Backbone interact. energy: -3.375
local terms energy: -200.179807
where:
bonds (distance) C4'-P energy: -37.615
bonds (distance) P-C4' energy: -36.853
flat angles C4'-P-C4' energy: -50.433
flat angles P-C4'-P energy: -34.501
tors. eta vs tors. theta energy: -40.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -619.869709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.869709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.869709 (E_RNA)
where:
Base-Base interactions energy: -418.736
where: short stacking energy: -186.874
Base-Backbone interact. energy: -0.841
local terms energy: -200.292236
where:
bonds (distance) C4'-P energy: -39.875
bonds (distance) P-C4' energy: -42.171
flat angles C4'-P-C4' energy: -48.346
flat angles P-C4'-P energy: -25.651
tors. eta vs tors. theta energy: -44.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -408.584634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.584634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.584634 (E_RNA)
where:
Base-Base interactions energy: -241.171
where: short stacking energy: -125.570
Base-Backbone interact. energy: -1.082
local terms energy: -166.331513
where:
bonds (distance) C4'-P energy: -31.782
bonds (distance) P-C4' energy: -44.599
flat angles C4'-P-C4' energy: -40.943
flat angles P-C4'-P energy: -25.550
tors. eta vs tors. theta energy: -23.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -303.289342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.289342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.289342 (E_RNA)
where:
Base-Base interactions energy: -138.053
where: short stacking energy: -98.274
Base-Backbone interact. energy: -0.295
local terms energy: -164.941662
where:
bonds (distance) C4'-P energy: -41.823
bonds (distance) P-C4' energy: -43.495
flat angles C4'-P-C4' energy: -45.581
flat angles P-C4'-P energy: -19.653
tors. eta vs tors. theta energy: -14.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -856.430721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.430721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.430721 (E_RNA)
where:
Base-Base interactions energy: -582.231
where: short stacking energy: -259.086
Base-Backbone interact. energy: -0.601
local terms energy: -273.598416
where:
bonds (distance) C4'-P energy: -47.813
bonds (distance) P-C4' energy: -53.386
flat angles C4'-P-C4' energy: -55.575
flat angles P-C4'-P energy: -38.122
tors. eta vs tors. theta energy: -78.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -821.604534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.604534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.604534 (E_RNA)
where:
Base-Base interactions energy: -584.836
where: short stacking energy: -236.472
Base-Backbone interact. energy: -1.161
local terms energy: -235.607690
where:
bonds (distance) C4'-P energy: -41.010
bonds (distance) P-C4' energy: -45.291
flat angles C4'-P-C4' energy: -50.813
flat angles P-C4'-P energy: -34.979
tors. eta vs tors. theta energy: -63.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -816.289612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.289612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.289612 (E_RNA)
where:
Base-Base interactions energy: -572.129
where: short stacking energy: -240.425
Base-Backbone interact. energy: 1.302
local terms energy: -245.462999
where:
bonds (distance) C4'-P energy: -43.282
bonds (distance) P-C4' energy: -41.800
flat angles C4'-P-C4' energy: -52.748
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -71.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -764.633480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.633480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.633480 (E_RNA)
where:
Base-Base interactions energy: -540.813
where: short stacking energy: -210.850
Base-Backbone interact. energy: -0.963
local terms energy: -222.857147
where:
bonds (distance) C4'-P energy: -49.760
bonds (distance) P-C4' energy: -40.894
flat angles C4'-P-C4' energy: -48.047
flat angles P-C4'-P energy: -33.203
tors. eta vs tors. theta energy: -50.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -752.360348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.360348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.360348 (E_RNA)
where:
Base-Base interactions energy: -516.937
where: short stacking energy: -215.338
Base-Backbone interact. energy: -2.255
local terms energy: -233.168177
where:
bonds (distance) C4'-P energy: -43.176
bonds (distance) P-C4' energy: -38.808
flat angles C4'-P-C4' energy: -51.054
flat angles P-C4'-P energy: -33.322
tors. eta vs tors. theta energy: -66.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -714.135636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.135636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.135636 (E_RNA)
where:
Base-Base interactions energy: -491.052
where: short stacking energy: -204.615
Base-Backbone interact. energy: -2.317
local terms energy: -220.767467
where:
bonds (distance) C4'-P energy: -43.769
bonds (distance) P-C4' energy: -44.166
flat angles C4'-P-C4' energy: -45.676
flat angles P-C4'-P energy: -30.741
tors. eta vs tors. theta energy: -56.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -630.115379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.115379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.115379 (E_RNA)
where:
Base-Base interactions energy: -410.880
where: short stacking energy: -174.151
Base-Backbone interact. energy: 0.382
local terms energy: -219.616980
where:
bonds (distance) C4'-P energy: -49.016
bonds (distance) P-C4' energy: -47.787
flat angles C4'-P-C4' energy: -48.277
flat angles P-C4'-P energy: -32.273
tors. eta vs tors. theta energy: -42.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -605.124251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.124251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.124251 (E_RNA)
where:
Base-Base interactions energy: -404.822
where: short stacking energy: -169.921
Base-Backbone interact. energy: -2.381
local terms energy: -197.921100
where:
bonds (distance) C4'-P energy: -30.341
bonds (distance) P-C4' energy: -48.637
flat angles C4'-P-C4' energy: -48.173
flat angles P-C4'-P energy: -26.556
tors. eta vs tors. theta energy: -44.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -431.444051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.444051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.444051 (E_RNA)
where:
Base-Base interactions energy: -262.898
where: short stacking energy: -134.997
Base-Backbone interact. energy: -0.856
local terms energy: -167.689974
where:
bonds (distance) C4'-P energy: -36.456
bonds (distance) P-C4' energy: -54.006
flat angles C4'-P-C4' energy: -31.501
flat angles P-C4'-P energy: -26.334
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -307.127064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.127064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.127064 (E_RNA)
where:
Base-Base interactions energy: -169.160
where: short stacking energy: -77.562
Base-Backbone interact. energy: 1.575
local terms energy: -139.542203
where:
bonds (distance) C4'-P energy: -39.924
bonds (distance) P-C4' energy: -48.225
flat angles C4'-P-C4' energy: -37.567
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: 1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -877.346642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.346642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.346642 (E_RNA)
where:
Base-Base interactions energy: -595.044
where: short stacking energy: -261.960
Base-Backbone interact. energy: -0.757
local terms energy: -281.545008
where:
bonds (distance) C4'-P energy: -55.735
bonds (distance) P-C4' energy: -48.374
flat angles C4'-P-C4' energy: -57.306
flat angles P-C4'-P energy: -36.791
tors. eta vs tors. theta energy: -83.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -833.388175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.388175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.388175 (E_RNA)
where:
Base-Base interactions energy: -577.050
where: short stacking energy: -256.078
Base-Backbone interact. energy: -0.531
local terms energy: -255.807214
where:
bonds (distance) C4'-P energy: -46.986
bonds (distance) P-C4' energy: -50.716
flat angles C4'-P-C4' energy: -57.445
flat angles P-C4'-P energy: -29.848
tors. eta vs tors. theta energy: -70.812
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: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -804.483421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.483421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.483421 (E_RNA)
where:
Base-Base interactions energy: -559.233
where: short stacking energy: -221.226
Base-Backbone interact. energy: -1.709
local terms energy: -243.541375
where:
bonds (distance) C4'-P energy: -44.359
bonds (distance) P-C4' energy: -47.425
flat angles C4'-P-C4' energy: -50.856
flat angles P-C4'-P energy: -42.632
tors. eta vs tors. theta energy: -58.270
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: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -772.403004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.403004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.403004 (E_RNA)
where:
Base-Base interactions energy: -539.290
where: short stacking energy: -216.176
Base-Backbone interact. energy: -0.073
local terms energy: -233.039862
where:
bonds (distance) C4'-P energy: -42.353
bonds (distance) P-C4' energy: -53.479
flat angles C4'-P-C4' energy: -49.942
flat angles P-C4'-P energy: -34.384
tors. eta vs tors. theta energy: -52.882
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: 391
Temperature: 1.100000
Total energy: -746.549281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.549281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.549281 (E_RNA)
where:
Base-Base interactions energy: -515.203
where: short stacking energy: -201.264
Base-Backbone interact. energy: 0.208
local terms energy: -231.554408
where:
bonds (distance) C4'-P energy: -47.717
bonds (distance) P-C4' energy: -46.600
flat angles C4'-P-C4' energy: -48.240
flat angles P-C4'-P energy: -31.566
tors. eta vs tors. theta energy: -57.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -648.692746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.692746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.692746 (E_RNA)
where:
Base-Base interactions energy: -440.598
where: short stacking energy: -207.715
Base-Backbone interact. energy: -0.352
local terms energy: -207.742683
where:
bonds (distance) C4'-P energy: -46.507
bonds (distance) P-C4' energy: -40.148
flat angles C4'-P-C4' energy: -50.793
flat angles P-C4'-P energy: -23.632
tors. eta vs tors. theta energy: -46.662
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: 5
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -686.301020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.301020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.301020 (E_RNA)
where:
Base-Base interactions energy: -490.367
where: short stacking energy: -205.170
Base-Backbone interact. energy: -2.267
local terms energy: -193.666637
where:
bonds (distance) C4'-P energy: -36.232
bonds (distance) P-C4' energy: -35.633
flat angles C4'-P-C4' energy: -43.402
flat angles P-C4'-P energy: -22.213
tors. eta vs tors. theta energy: -56.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -597.407961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.407961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.407961 (E_RNA)
where:
Base-Base interactions energy: -402.930
where: short stacking energy: -181.095
Base-Backbone interact. energy: -0.408
local terms energy: -194.069636
where:
bonds (distance) C4'-P energy: -40.237
bonds (distance) P-C4' energy: -43.124
flat angles C4'-P-C4' energy: -35.873
flat angles P-C4'-P energy: -31.149
tors. eta vs tors. theta energy: -43.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -403.209171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.209171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.209171 (E_RNA)
where:
Base-Base interactions energy: -252.229
where: short stacking energy: -112.022
Base-Backbone interact. energy: 0.721
local terms energy: -151.701070
where:
bonds (distance) C4'-P energy: -38.767
bonds (distance) P-C4' energy: -43.692
flat angles C4'-P-C4' energy: -39.397
flat angles P-C4'-P energy: -18.883
tors. eta vs tors. theta energy: -10.962
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: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -302.599423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.599423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.599423 (E_RNA)
where:
Base-Base interactions energy: -152.838
where: short stacking energy: -89.755
Base-Backbone interact. energy: -0.167
local terms energy: -149.594702
where:
bonds (distance) C4'-P energy: -39.554
bonds (distance) P-C4' energy: -47.055
flat angles C4'-P-C4' energy: -36.962
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -7.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -855.362316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.362316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.362316 (E_RNA)
where:
Base-Base interactions energy: -585.087
where: short stacking energy: -258.338
Base-Backbone interact. energy: -0.824
local terms energy: -269.450957
where:
bonds (distance) C4'-P energy: -49.153
bonds (distance) P-C4' energy: -48.685
flat angles C4'-P-C4' energy: -51.424
flat angles P-C4'-P energy: -38.224
tors. eta vs tors. theta energy: -81.965
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: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -834.153898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.153898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.153898 (E_RNA)
where:
Base-Base interactions energy: -572.075
where: short stacking energy: -245.703
Base-Backbone interact. energy: 0.568
local terms energy: -262.647623
where:
bonds (distance) C4'-P energy: -47.558
bonds (distance) P-C4' energy: -48.441
flat angles C4'-P-C4' energy: -48.878
flat angles P-C4'-P energy: -44.998
tors. eta vs tors. theta energy: -72.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -793.484028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.484028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.484028 (E_RNA)
where:
Base-Base interactions energy: -562.595
where: short stacking energy: -228.601
Base-Backbone interact. energy: -0.296
local terms energy: -230.593594
where:
bonds (distance) C4'-P energy: -46.525
bonds (distance) P-C4' energy: -47.920
flat angles C4'-P-C4' energy: -49.982
flat angles P-C4'-P energy: -27.286
tors. eta vs tors. theta energy: -58.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -778.639713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.639713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.639713 (E_RNA)
where:
Base-Base interactions energy: -546.642
where: short stacking energy: -231.298
Base-Backbone interact. energy: 0.081
local terms energy: -232.079417
where:
bonds (distance) C4'-P energy: -37.802
bonds (distance) P-C4' energy: -50.012
flat angles C4'-P-C4' energy: -49.858
flat angles P-C4'-P energy: -36.366
tors. eta vs tors. theta energy: -58.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -749.448218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.448218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.448218 (E_RNA)
where:
Base-Base interactions energy: -523.583
where: short stacking energy: -212.846
Base-Backbone interact. energy: -0.503
local terms energy: -225.362411
where:
bonds (distance) C4'-P energy: -38.842
bonds (distance) P-C4' energy: -50.551
flat angles C4'-P-C4' energy: -54.153
flat angles P-C4'-P energy: -31.139
tors. eta vs tors. theta energy: -50.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -641.505763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.505763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.505763 (E_RNA)
where:
Base-Base interactions energy: -434.529
where: short stacking energy: -197.060
Base-Backbone interact. energy: -0.344
local terms energy: -206.632573
where:
bonds (distance) C4'-P energy: -46.705
bonds (distance) P-C4' energy: -36.702
flat angles C4'-P-C4' energy: -40.223
flat angles P-C4'-P energy: -26.444
tors. eta vs tors. theta energy: -56.559
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: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -636.587307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.587307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.587307 (E_RNA)
where:
Base-Base interactions energy: -444.498
where: short stacking energy: -193.486
Base-Backbone interact. energy: -2.077
local terms energy: -190.011978
where:
bonds (distance) C4'-P energy: -43.544
bonds (distance) P-C4' energy: -43.411
flat angles C4'-P-C4' energy: -44.499
flat angles P-C4'-P energy: -21.275
tors. eta vs tors. theta energy: -37.282
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: 5
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -597.202420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.202420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.202420 (E_RNA)
where:
Base-Base interactions energy: -407.095
where: short stacking energy: -153.229
Base-Backbone interact. energy: -1.096
local terms energy: -189.011643
where:
bonds (distance) C4'-P energy: -43.999
bonds (distance) P-C4' energy: -43.844
flat angles C4'-P-C4' energy: -41.587
flat angles P-C4'-P energy: -22.896
tors. eta vs tors. theta energy: -36.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -411.200059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.200059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.200059 (E_RNA)
where:
Base-Base interactions energy: -243.808
where: short stacking energy: -106.513
Base-Backbone interact. energy: -0.286
local terms energy: -167.106610
where:
bonds (distance) C4'-P energy: -46.757
bonds (distance) P-C4' energy: -39.170
flat angles C4'-P-C4' energy: -47.115
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: -14.973
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: 7
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -281.548584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.548584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.548584 (E_RNA)
where:
Base-Base interactions energy: -141.875
where: short stacking energy: -89.161
Base-Backbone interact. energy: -0.028
local terms energy: -139.645252
where:
bonds (distance) C4'-P energy: -42.584
bonds (distance) P-C4' energy: -41.715
flat angles C4'-P-C4' energy: -46.715
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: 1.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -849.102553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.102553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.102553 (E_RNA)
where:
Base-Base interactions energy: -581.220
where: short stacking energy: -267.385
Base-Backbone interact. energy: -0.109
local terms energy: -267.773951
where:
bonds (distance) C4'-P energy: -50.276
bonds (distance) P-C4' energy: -43.366
flat angles C4'-P-C4' energy: -50.855
flat angles P-C4'-P energy: -40.700
tors. eta vs tors. theta energy: -82.577
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: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -798.752387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.752387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.752387 (E_RNA)
where:
Base-Base interactions energy: -563.703
where: short stacking energy: -215.986
Base-Backbone interact. energy: -0.473
local terms energy: -234.576423
where:
bonds (distance) C4'-P energy: -43.263
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -53.190
flat angles P-C4'-P energy: -34.936
tors. eta vs tors. theta energy: -54.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -819.727965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.727965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.727965 (E_RNA)
where:
Base-Base interactions energy: -558.119
where: short stacking energy: -258.903
Base-Backbone interact. energy: -2.175
local terms energy: -259.433970
where:
bonds (distance) C4'-P energy: -44.674
bonds (distance) P-C4' energy: -49.990
flat angles C4'-P-C4' energy: -53.732
flat angles P-C4'-P energy: -36.705
tors. eta vs tors. theta energy: -74.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -758.641411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.641411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.641411 (E_RNA)
where:
Base-Base interactions energy: -523.270
where: short stacking energy: -217.811
Base-Backbone interact. energy: -2.247
local terms energy: -233.124481
where:
bonds (distance) C4'-P energy: -47.081
bonds (distance) P-C4' energy: -46.959
flat angles C4'-P-C4' energy: -47.433
flat angles P-C4'-P energy: -36.110
tors. eta vs tors. theta energy: -55.541
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: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -764.827729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.827729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.827729 (E_RNA)
where:
Base-Base interactions energy: -527.890
where: short stacking energy: -208.354
Base-Backbone interact. energy: 1.111
local terms energy: -238.048772
where:
bonds (distance) C4'-P energy: -48.264
bonds (distance) P-C4' energy: -49.338
flat angles C4'-P-C4' energy: -50.015
flat angles P-C4'-P energy: -33.356
tors. eta vs tors. theta energy: -57.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -626.643755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.643755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.643755 (E_RNA)
where:
Base-Base interactions energy: -433.224
where: short stacking energy: -198.382
Base-Backbone interact. energy: -0.681
local terms energy: -192.738315
where:
bonds (distance) C4'-P energy: -46.829
bonds (distance) P-C4' energy: -39.067
flat angles C4'-P-C4' energy: -45.682
flat angles P-C4'-P energy: -24.904
tors. eta vs tors. theta energy: -36.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -618.588853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.588853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.588853 (E_RNA)
where:
Base-Base interactions energy: -422.769
where: short stacking energy: -196.805
Base-Backbone interact. energy: -0.800
local terms energy: -195.019822
where:
bonds (distance) C4'-P energy: -38.365
bonds (distance) P-C4' energy: -44.033
flat angles C4'-P-C4' energy: -30.815
flat angles P-C4'-P energy: -28.606
tors. eta vs tors. theta energy: -53.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -617.567837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.567837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.567837 (E_RNA)
where:
Base-Base interactions energy: -426.082
where: short stacking energy: -159.028
Base-Backbone interact. energy: -0.848
local terms energy: -190.637451
where:
bonds (distance) C4'-P energy: -41.105
bonds (distance) P-C4' energy: -47.552
flat angles C4'-P-C4' energy: -34.648
flat angles P-C4'-P energy: -22.683
tors. eta vs tors. theta energy: -44.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -422.310115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.310115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.310115 (E_RNA)
where:
Base-Base interactions energy: -278.231
where: short stacking energy: -129.674
Base-Backbone interact. energy: -1.505
local terms energy: -142.574521
where:
bonds (distance) C4'-P energy: -32.789
bonds (distance) P-C4' energy: -36.787
flat angles C4'-P-C4' energy: -31.022
flat angles P-C4'-P energy: -23.480
tors. eta vs tors. theta energy: -18.496
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: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -239.891478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.891478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.891478 (E_RNA)
where:
Base-Base interactions energy: -122.656
where: short stacking energy: -76.077
Base-Backbone interact. energy: -1.870
local terms energy: -115.365514
where:
bonds (distance) C4'-P energy: -27.323
bonds (distance) P-C4' energy: -31.184
flat angles C4'-P-C4' energy: -47.694
flat angles P-C4'-P energy: -19.474
tors. eta vs tors. theta energy: 10.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -861.728127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.728127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.728127 (E_RNA)
where:
Base-Base interactions energy: -585.508
where: short stacking energy: -263.942
Base-Backbone interact. energy: -0.367
local terms energy: -275.853173
where:
bonds (distance) C4'-P energy: -51.789
bonds (distance) P-C4' energy: -47.733
flat angles C4'-P-C4' energy: -57.479
flat angles P-C4'-P energy: -38.642
tors. eta vs tors. theta energy: -80.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -805.334745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.334745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.334745 (E_RNA)
where:
Base-Base interactions energy: -566.959
where: short stacking energy: -228.539
Base-Backbone interact. energy: -1.183
local terms energy: -237.192177
where:
bonds (distance) C4'-P energy: -45.882
bonds (distance) P-C4' energy: -51.300
flat angles C4'-P-C4' energy: -49.783
flat angles P-C4'-P energy: -31.254
tors. eta vs tors. theta energy: -58.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -804.155974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.155974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.155974 (E_RNA)
where:
Base-Base interactions energy: -562.068
where: short stacking energy: -241.765
Base-Backbone interact. energy: -0.909
local terms energy: -241.178926
where:
bonds (distance) C4'-P energy: -39.507
bonds (distance) P-C4' energy: -46.428
flat angles C4'-P-C4' energy: -52.118
flat angles P-C4'-P energy: -37.083
tors. eta vs tors. theta energy: -66.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -786.259152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.259152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.259152 (E_RNA)
where:
Base-Base interactions energy: -544.387
where: short stacking energy: -234.014
Base-Backbone interact. energy: -1.737
local terms energy: -240.134820
where:
bonds (distance) C4'-P energy: -42.513
bonds (distance) P-C4' energy: -43.853
flat angles C4'-P-C4' energy: -50.670
flat angles P-C4'-P energy: -36.819
tors. eta vs tors. theta energy: -66.279
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: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -748.377419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.377419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.377419 (E_RNA)
where:
Base-Base interactions energy: -521.467
where: short stacking energy: -201.960
Base-Backbone interact. energy: -2.162
local terms energy: -224.748854
where:
bonds (distance) C4'-P energy: -52.062
bonds (distance) P-C4' energy: -50.604
flat angles C4'-P-C4' energy: -40.972
flat angles P-C4'-P energy: -30.654
tors. eta vs tors. theta energy: -50.457
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: 6, replica: 9
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -650.292075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.292075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.292075 (E_RNA)
where:
Base-Base interactions energy: -432.188
where: short stacking energy: -187.563
Base-Backbone interact. energy: -0.684
local terms energy: -217.420320
where:
bonds (distance) C4'-P energy: -41.427
bonds (distance) P-C4' energy: -46.639
flat angles C4'-P-C4' energy: -48.424
flat angles P-C4'-P energy: -34.489
tors. eta vs tors. theta energy: -46.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -673.280609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.280609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.280609 (E_RNA)
where:
Base-Base interactions energy: -469.831
where: short stacking energy: -200.610
Base-Backbone interact. energy: 0.634
local terms energy: -204.083514
where:
bonds (distance) C4'-P energy: -40.549
bonds (distance) P-C4' energy: -30.470
flat angles C4'-P-C4' energy: -47.221
flat angles P-C4'-P energy: -30.720
tors. eta vs tors. theta energy: -55.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -554.680036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.680036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.680036 (E_RNA)
where:
Base-Base interactions energy: -379.807
where: short stacking energy: -167.610
Base-Backbone interact. energy: 0.494
local terms energy: -175.367719
where:
bonds (distance) C4'-P energy: -22.545
bonds (distance) P-C4' energy: -45.497
flat angles C4'-P-C4' energy: -46.420
flat angles P-C4'-P energy: -30.878
tors. eta vs tors. theta energy: -30.028
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: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -404.273438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.273438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.273438 (E_RNA)
where:
Base-Base interactions energy: -245.597
where: short stacking energy: -127.590
Base-Backbone interact. energy: -0.974
local terms energy: -157.702211
where:
bonds (distance) C4'-P energy: -38.796
bonds (distance) P-C4' energy: -56.365
flat angles C4'-P-C4' energy: -37.631
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -12.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -223.283186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.283186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.283186 (E_RNA)
where:
Base-Base interactions energy: -102.430
where: short stacking energy: -76.510
Base-Backbone interact. energy: -0.012
local terms energy: -120.840715
where:
bonds (distance) C4'-P energy: -34.898
bonds (distance) P-C4' energy: -51.603
flat angles C4'-P-C4' energy: -27.521
flat angles P-C4'-P energy: -20.197
tors. eta vs tors. theta energy: 13.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -866.370552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.370552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.370552 (E_RNA)
where:
Base-Base interactions energy: -587.192
where: short stacking energy: -267.290
Base-Backbone interact. energy: -1.814
local terms energy: -277.365065
where:
bonds (distance) C4'-P energy: -47.232
bonds (distance) P-C4' energy: -49.138
flat angles C4'-P-C4' energy: -56.947
flat angles P-C4'-P energy: -43.201
tors. eta vs tors. theta energy: -80.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -804.063817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.063817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.063817 (E_RNA)
where:
Base-Base interactions energy: -557.637
where: short stacking energy: -229.337
Base-Backbone interact. energy: -0.881
local terms energy: -245.546384
where:
bonds (distance) C4'-P energy: -42.512
bonds (distance) P-C4' energy: -56.959
flat angles C4'-P-C4' energy: -51.594
flat angles P-C4'-P energy: -36.364
tors. eta vs tors. theta energy: -58.117
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: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -788.448282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.448282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.448282 (E_RNA)
where:
Base-Base interactions energy: -547.856
where: short stacking energy: -252.429
Base-Backbone interact. energy: -0.213
local terms energy: -240.379160
where:
bonds (distance) C4'-P energy: -42.562
bonds (distance) P-C4' energy: -39.843
flat angles C4'-P-C4' energy: -51.020
flat angles P-C4'-P energy: -35.109
tors. eta vs tors. theta energy: -71.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -779.044497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.044497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.044497 (E_RNA)
where:
Base-Base interactions energy: -540.246
where: short stacking energy: -230.899
Base-Backbone interact. energy: -3.505
local terms energy: -235.294228
where:
bonds (distance) C4'-P energy: -43.674
bonds (distance) P-C4' energy: -48.362
flat angles C4'-P-C4' energy: -48.357
flat angles P-C4'-P energy: -35.438
tors. eta vs tors. theta energy: -59.463
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: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -778.280177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.280177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.280177 (E_RNA)
where:
Base-Base interactions energy: -559.839
where: short stacking energy: -243.288
Base-Backbone interact. energy: 0.448
local terms energy: -218.889899
where:
bonds (distance) C4'-P energy: -42.409
bonds (distance) P-C4' energy: -38.183
flat angles C4'-P-C4' energy: -47.374
flat angles P-C4'-P energy: -31.509
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: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -698.462388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.462388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.462388 (E_RNA)
where:
Base-Base interactions energy: -483.608
where: short stacking energy: -200.043
Base-Backbone interact. energy: -0.817
local terms energy: -214.037619
where:
bonds (distance) C4'-P energy: -42.249
bonds (distance) P-C4' energy: -40.949
flat angles C4'-P-C4' energy: -51.417
flat angles P-C4'-P energy: -24.946
tors. eta vs tors. theta energy: -54.476
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: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -644.152838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.152838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.152838 (E_RNA)
where:
Base-Base interactions energy: -430.150
where: short stacking energy: -174.605
Base-Backbone interact. energy: -1.165
local terms energy: -212.838552
where:
bonds (distance) C4'-P energy: -36.182
bonds (distance) P-C4' energy: -45.725
flat angles C4'-P-C4' energy: -52.973
flat angles P-C4'-P energy: -35.055
tors. eta vs tors. theta energy: -42.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -572.347002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.347002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.347002 (E_RNA)
where:
Base-Base interactions energy: -389.079
where: short stacking energy: -166.009
Base-Backbone interact. energy: -0.126
local terms energy: -183.141777
where:
bonds (distance) C4'-P energy: -42.305
bonds (distance) P-C4' energy: -39.838
flat angles C4'-P-C4' energy: -39.677
flat angles P-C4'-P energy: -32.217
tors. eta vs tors. theta energy: -29.105
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: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -436.841217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.841217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.841217 (E_RNA)
where:
Base-Base interactions energy: -285.750
where: short stacking energy: -126.720
Base-Backbone interact. energy: -1.203
local terms energy: -149.888230
where:
bonds (distance) C4'-P energy: -34.122
bonds (distance) P-C4' energy: -40.955
flat angles C4'-P-C4' energy: -42.128
flat angles P-C4'-P energy: -25.420
tors. eta vs tors. theta energy: -7.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -221.486107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.486107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.486107 (E_RNA)
where:
Base-Base interactions energy: -81.016
where: short stacking energy: -73.237
Base-Backbone interact. energy: -1.289
local terms energy: -139.181649
where:
bonds (distance) C4'-P energy: -30.420
bonds (distance) P-C4' energy: -47.502
flat angles C4'-P-C4' energy: -41.452
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -1.820
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: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -869.460253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.460253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.460253 (E_RNA)
where:
Base-Base interactions energy: -595.933
where: short stacking energy: -258.694
Base-Backbone interact. energy: -0.134
local terms energy: -273.393019
where:
bonds (distance) C4'-P energy: -49.818
bonds (distance) P-C4' energy: -46.745
flat angles C4'-P-C4' energy: -57.585
flat angles P-C4'-P energy: -38.414
tors. eta vs tors. theta energy: -80.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -812.075905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.075905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.075905 (E_RNA)
where:
Base-Base interactions energy: -571.667
where: short stacking energy: -218.927
Base-Backbone interact. energy: 1.178
local terms energy: -241.587208
where:
bonds (distance) C4'-P energy: -52.264
bonds (distance) P-C4' energy: -46.565
flat angles C4'-P-C4' energy: -49.472
flat angles P-C4'-P energy: -32.360
tors. eta vs tors. theta energy: -60.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -798.151763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.151763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.151763 (E_RNA)
where:
Base-Base interactions energy: -552.624
where: short stacking energy: -233.542
Base-Backbone interact. energy: -1.548
local terms energy: -243.980371
where:
bonds (distance) C4'-P energy: -41.267
bonds (distance) P-C4' energy: -45.361
flat angles C4'-P-C4' energy: -54.083
flat angles P-C4'-P energy: -35.497
tors. eta vs tors. theta energy: -67.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -764.202471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.202471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.202471 (E_RNA)
where:
Base-Base interactions energy: -527.137
where: short stacking energy: -241.589
Base-Backbone interact. energy: -0.156
local terms energy: -236.909982
where:
bonds (distance) C4'-P energy: -38.417
bonds (distance) P-C4' energy: -38.418
flat angles C4'-P-C4' energy: -52.428
flat angles P-C4'-P energy: -38.522
tors. eta vs tors. theta energy: -69.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -747.813272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.813272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.813272 (E_RNA)
where:
Base-Base interactions energy: -540.570
where: short stacking energy: -224.599
Base-Backbone interact. energy: -0.732
local terms energy: -206.511046
where:
bonds (distance) C4'-P energy: -40.725
bonds (distance) P-C4' energy: -50.729
flat angles C4'-P-C4' energy: -46.171
flat angles P-C4'-P energy: -19.378
tors. eta vs tors. theta energy: -49.507
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: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -699.230418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.230418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.230418 (E_RNA)
where:
Base-Base interactions energy: -477.313
where: short stacking energy: -209.975
Base-Backbone interact. energy: -0.283
local terms energy: -221.634276
where:
bonds (distance) C4'-P energy: -43.965
bonds (distance) P-C4' energy: -43.300
flat angles C4'-P-C4' energy: -55.354
flat angles P-C4'-P energy: -27.932
tors. eta vs tors. theta energy: -51.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -627.254754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.254754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.254754 (E_RNA)
where:
Base-Base interactions energy: -396.657
where: short stacking energy: -172.824
Base-Backbone interact. energy: -0.884
local terms energy: -229.714230
where:
bonds (distance) C4'-P energy: -45.816
bonds (distance) P-C4' energy: -54.317
flat angles C4'-P-C4' energy: -49.707
flat angles P-C4'-P energy: -33.187
tors. eta vs tors. theta energy: -46.686
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: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -578.698245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.698245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.698245 (E_RNA)
where:
Base-Base interactions energy: -384.072
where: short stacking energy: -178.535
Base-Backbone interact. energy: -0.221
local terms energy: -194.405248
where:
bonds (distance) C4'-P energy: -39.447
bonds (distance) P-C4' energy: -41.742
flat angles C4'-P-C4' energy: -49.697
flat angles P-C4'-P energy: -21.529
tors. eta vs tors. theta energy: -41.990
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: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -442.948526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.948526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.948526 (E_RNA)
where:
Base-Base interactions energy: -274.579
where: short stacking energy: -130.157
Base-Backbone interact. energy: -0.337
local terms energy: -168.032336
where:
bonds (distance) C4'-P energy: -33.426
bonds (distance) P-C4' energy: -45.722
flat angles C4'-P-C4' energy: -46.712
flat angles P-C4'-P energy: -24.349
tors. eta vs tors. theta energy: -17.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -212.506734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.506734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.506734 (E_RNA)
where:
Base-Base interactions energy: -89.893
where: short stacking energy: -84.621
Base-Backbone interact. energy: 1.234
local terms energy: -123.848453
where:
bonds (distance) C4'-P energy: -36.400
bonds (distance) P-C4' energy: -40.441
flat angles C4'-P-C4' energy: -40.109
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: 5.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -860.440891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.440891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.440891 (E_RNA)
where:
Base-Base interactions energy: -590.593
where: short stacking energy: -269.478
Base-Backbone interact. energy: -0.194
local terms energy: -269.653608
where:
bonds (distance) C4'-P energy: -41.993
bonds (distance) P-C4' energy: -51.973
flat angles C4'-P-C4' energy: -59.225
flat angles P-C4'-P energy: -39.063
tors. eta vs tors. theta energy: -77.400
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: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -814.763160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.763160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.763160 (E_RNA)
where:
Base-Base interactions energy: -559.292
where: short stacking energy: -245.808
Base-Backbone interact. energy: -0.852
local terms energy: -254.618985
where:
bonds (distance) C4'-P energy: -46.285
bonds (distance) P-C4' energy: -46.254
flat angles C4'-P-C4' energy: -55.360
flat angles P-C4'-P energy: -37.059
tors. eta vs tors. theta energy: -69.661
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: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -755.553421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.553421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.553421 (E_RNA)
where:
Base-Base interactions energy: -531.894
where: short stacking energy: -223.194
Base-Backbone interact. energy: 0.040
local terms energy: -223.699317
where:
bonds (distance) C4'-P energy: -44.157
bonds (distance) P-C4' energy: -48.019
flat angles C4'-P-C4' energy: -52.742
flat angles P-C4'-P energy: -28.911
tors. eta vs tors. theta energy: -49.871
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: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -781.766124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.766124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.766124 (E_RNA)
where:
Base-Base interactions energy: -562.242
where: short stacking energy: -232.307
Base-Backbone interact. energy: -1.511
local terms energy: -218.013535
where:
bonds (distance) C4'-P energy: -37.499
bonds (distance) P-C4' energy: -56.441
flat angles C4'-P-C4' energy: -50.857
flat angles P-C4'-P energy: -18.553
tors. eta vs tors. theta energy: -54.663
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: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -726.249297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.249297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.249297 (E_RNA)
where:
Base-Base interactions energy: -499.842
where: short stacking energy: -222.103
Base-Backbone interact. energy: -0.859
local terms energy: -225.547688
where:
bonds (distance) C4'-P energy: -42.368
bonds (distance) P-C4' energy: -39.893
flat angles C4'-P-C4' energy: -49.437
flat angles P-C4'-P energy: -28.488
tors. eta vs tors. theta energy: -65.362
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: 6, replica: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -654.578549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.578549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.578549 (E_RNA)
where:
Base-Base interactions energy: -445.023
where: short stacking energy: -186.602
Base-Backbone interact. energy: -0.588
local terms energy: -208.967487
where:
bonds (distance) C4'-P energy: -40.369
bonds (distance) P-C4' energy: -45.464
flat angles C4'-P-C4' energy: -46.310
flat angles P-C4'-P energy: -30.438
tors. eta vs tors. theta energy: -46.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -611.800527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.800527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.800527 (E_RNA)
where:
Base-Base interactions energy: -409.804
where: short stacking energy: -193.189
Base-Backbone interact. energy: -1.735
local terms energy: -200.261086
where:
bonds (distance) C4'-P energy: -43.085
bonds (distance) P-C4' energy: -49.348
flat angles C4'-P-C4' energy: -43.594
flat angles P-C4'-P energy: -19.208
tors. eta vs tors. theta energy: -45.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -450.970724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.970724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.970724 (E_RNA)
where:
Base-Base interactions energy: -286.811
where: short stacking energy: -135.387
Base-Backbone interact. energy: -0.453
local terms energy: -163.707204
where:
bonds (distance) C4'-P energy: -35.043
bonds (distance) P-C4' energy: -45.346
flat angles C4'-P-C4' energy: -43.849
flat angles P-C4'-P energy: -25.262
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -475.458454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.458454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.458454 (E_RNA)
where:
Base-Base interactions energy: -292.820
where: short stacking energy: -129.554
Base-Backbone interact. energy: -0.604
local terms energy: -182.034850
where:
bonds (distance) C4'-P energy: -42.053
bonds (distance) P-C4' energy: -42.855
flat angles C4'-P-C4' energy: -42.501
flat angles P-C4'-P energy: -33.820
tors. eta vs tors. theta energy: -20.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -198.221041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.221041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.221041 (E_RNA)
where:
Base-Base interactions energy: -67.566
where: short stacking energy: -59.319
Base-Backbone interact. energy: -3.071
local terms energy: -127.584222
where:
bonds (distance) C4'-P energy: -32.755
bonds (distance) P-C4' energy: -40.969
flat angles C4'-P-C4' energy: -30.888
flat angles P-C4'-P energy: -32.554
tors. eta vs tors. theta energy: 9.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -850.480160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.480160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.480160 (E_RNA)
where:
Base-Base interactions energy: -588.045
where: short stacking energy: -278.912
Base-Backbone interact. energy: -0.071
local terms energy: -262.363878
where:
bonds (distance) C4'-P energy: -46.580
bonds (distance) P-C4' energy: -39.659
flat angles C4'-P-C4' energy: -55.543
flat angles P-C4'-P energy: -40.461
tors. eta vs tors. theta energy: -80.120
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: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -816.814879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.814879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.814879 (E_RNA)
where:
Base-Base interactions energy: -548.854
where: short stacking energy: -240.632
Base-Backbone interact. energy: -1.709
local terms energy: -266.252131
where:
bonds (distance) C4'-P energy: -48.829
bonds (distance) P-C4' energy: -52.036
flat angles C4'-P-C4' energy: -57.533
flat angles P-C4'-P energy: -39.761
tors. eta vs tors. theta energy: -68.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -809.576628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.576628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.576628 (E_RNA)
where:
Base-Base interactions energy: -571.239
where: short stacking energy: -230.709
Base-Backbone interact. energy: -2.223
local terms energy: -236.114832
where:
bonds (distance) C4'-P energy: -46.295
bonds (distance) P-C4' energy: -41.542
flat angles C4'-P-C4' energy: -48.526
flat angles P-C4'-P energy: -37.843
tors. eta vs tors. theta energy: -61.909
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: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -760.132099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.132099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.132099 (E_RNA)
where:
Base-Base interactions energy: -551.457
where: short stacking energy: -232.217
Base-Backbone interact. energy: 1.578
local terms energy: -210.253186
where:
bonds (distance) C4'-P energy: -47.968
bonds (distance) P-C4' energy: -32.395
flat angles C4'-P-C4' energy: -41.051
flat angles P-C4'-P energy: -27.562
tors. eta vs tors. theta energy: -61.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -755.619909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.619909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.619909 (E_RNA)
where:
Base-Base interactions energy: -536.245
where: short stacking energy: -221.002
Base-Backbone interact. energy: -0.430
local terms energy: -218.945347
where:
bonds (distance) C4'-P energy: -48.059
bonds (distance) P-C4' energy: -47.492
flat angles C4'-P-C4' energy: -44.025
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -57.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -708.427245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.427245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.427245 (E_RNA)
where:
Base-Base interactions energy: -488.130
where: short stacking energy: -193.006
Base-Backbone interact. energy: 0.934
local terms energy: -221.231043
where:
bonds (distance) C4'-P energy: -40.891
bonds (distance) P-C4' energy: -47.948
flat angles C4'-P-C4' energy: -51.259
flat angles P-C4'-P energy: -34.626
tors. eta vs tors. theta energy: -46.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -604.373442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.373442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.373442 (E_RNA)
where:
Base-Base interactions energy: -402.577
where: short stacking energy: -172.796
Base-Backbone interact. energy: -0.926
local terms energy: -200.870551
where:
bonds (distance) C4'-P energy: -45.916
bonds (distance) P-C4' energy: -44.080
flat angles C4'-P-C4' energy: -38.746
flat angles P-C4'-P energy: -30.904
tors. eta vs tors. theta energy: -41.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -438.025939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.025939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.025939 (E_RNA)
where:
Base-Base interactions energy: -265.526
where: short stacking energy: -145.700
Base-Backbone interact. energy: -1.008
local terms energy: -171.492647
where:
bonds (distance) C4'-P energy: -34.698
bonds (distance) P-C4' energy: -42.907
flat angles C4'-P-C4' energy: -40.825
flat angles P-C4'-P energy: -26.096
tors. eta vs tors. theta energy: -26.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -501.161627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.161627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.161627 (E_RNA)
where:
Base-Base interactions energy: -329.690
where: short stacking energy: -152.771
Base-Backbone interact. energy: 3.970
local terms energy: -175.441692
where:
bonds (distance) C4'-P energy: -41.782
bonds (distance) P-C4' energy: -41.116
flat angles C4'-P-C4' energy: -37.549
flat angles P-C4'-P energy: -21.203
tors. eta vs tors. theta energy: -33.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -214.794284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.794284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.794284 (E_RNA)
where:
Base-Base interactions energy: -84.186
where: short stacking energy: -82.378
Base-Backbone interact. energy: -1.100
local terms energy: -129.507462
where:
bonds (distance) C4'-P energy: -26.868
bonds (distance) P-C4' energy: -43.461
flat angles C4'-P-C4' energy: -36.577
flat angles P-C4'-P energy: -24.097
tors. eta vs tors. theta energy: 1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -863.333647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.333647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.333647 (E_RNA)
where:
Base-Base interactions energy: -600.768
where: short stacking energy: -268.467
Base-Backbone interact. energy: -0.241
local terms energy: -262.324909
where:
bonds (distance) C4'-P energy: -46.932
bonds (distance) P-C4' energy: -47.434
flat angles C4'-P-C4' energy: -56.650
flat angles P-C4'-P energy: -36.580
tors. eta vs tors. theta energy: -74.729
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: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -798.411445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.411445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.411445 (E_RNA)
where:
Base-Base interactions energy: -554.167
where: short stacking energy: -241.443
Base-Backbone interact. energy: -1.180
local terms energy: -243.064829
where:
bonds (distance) C4'-P energy: -45.581
bonds (distance) P-C4' energy: -46.881
flat angles C4'-P-C4' energy: -50.410
flat angles P-C4'-P energy: -35.592
tors. eta vs tors. theta energy: -64.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -794.233207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.233207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.233207 (E_RNA)
where:
Base-Base interactions energy: -571.114
where: short stacking energy: -227.074
Base-Backbone interact. energy: -1.352
local terms energy: -221.766970
where:
bonds (distance) C4'-P energy: -40.666
bonds (distance) P-C4' energy: -50.356
flat angles C4'-P-C4' energy: -47.463
flat angles P-C4'-P energy: -27.926
tors. eta vs tors. theta energy: -55.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -800.587641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.587641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.587641 (E_RNA)
where:
Base-Base interactions energy: -569.030
where: short stacking energy: -243.998
Base-Backbone interact. energy: -0.676
local terms energy: -230.881528
where:
bonds (distance) C4'-P energy: -36.768
bonds (distance) P-C4' energy: -40.218
flat angles C4'-P-C4' energy: -51.633
flat angles P-C4'-P energy: -37.604
tors. eta vs tors. theta energy: -64.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -745.159882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.159882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.159882 (E_RNA)
where:
Base-Base interactions energy: -524.444
where: short stacking energy: -216.651
Base-Backbone interact. energy: 1.017
local terms energy: -221.733123
where:
bonds (distance) C4'-P energy: -41.533
bonds (distance) P-C4' energy: -42.169
flat angles C4'-P-C4' energy: -46.029
flat angles P-C4'-P energy: -34.199
tors. eta vs tors. theta energy: -57.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -726.840959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.840959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.840959 (E_RNA)
where:
Base-Base interactions energy: -505.654
where: short stacking energy: -202.506
Base-Backbone interact. energy: -5.929
local terms energy: -215.258110
where:
bonds (distance) C4'-P energy: -37.746
bonds (distance) P-C4' energy: -44.289
flat angles C4'-P-C4' energy: -42.714
flat angles P-C4'-P energy: -33.861
tors. eta vs tors. theta energy: -56.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -674.825392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.825392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.825392 (E_RNA)
where:
Base-Base interactions energy: -458.999
where: short stacking energy: -218.405
Base-Backbone interact. energy: -0.079
local terms energy: -215.747802
where:
bonds (distance) C4'-P energy: -40.784
bonds (distance) P-C4' energy: -37.613
flat angles C4'-P-C4' energy: -45.315
flat angles P-C4'-P energy: -37.940
tors. eta vs tors. theta energy: -54.096
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: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -502.067032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.067032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.067032 (E_RNA)
where:
Base-Base interactions energy: -316.512
where: short stacking energy: -130.987
Base-Backbone interact. energy: 3.209
local terms energy: -188.764133
where:
bonds (distance) C4'-P energy: -39.452
bonds (distance) P-C4' energy: -45.861
flat angles C4'-P-C4' energy: -47.782
flat angles P-C4'-P energy: -30.921
tors. eta vs tors. theta energy: -24.748
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: 3
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -420.399743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.399743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.399743 (E_RNA)
where:
Base-Base interactions energy: -247.305
where: short stacking energy: -132.834
Base-Backbone interact. energy: -0.577
local terms energy: -172.517919
where:
bonds (distance) C4'-P energy: -41.301
bonds (distance) P-C4' energy: -41.975
flat angles C4'-P-C4' energy: -33.162
flat angles P-C4'-P energy: -27.859
tors. eta vs tors. theta energy: -28.221
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: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -256.443945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.443945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.443945 (E_RNA)
where:
Base-Base interactions energy: -118.706
where: short stacking energy: -78.990
Base-Backbone interact. energy: -1.508
local terms energy: -136.229961
where:
bonds (distance) C4'-P energy: -37.488
bonds (distance) P-C4' energy: -39.649
flat angles C4'-P-C4' energy: -47.824
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: 6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -854.051256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.051256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.051256 (E_RNA)
where:
Base-Base interactions energy: -584.328
where: short stacking energy: -251.494
Base-Backbone interact. energy: -0.360
local terms energy: -269.363661
where:
bonds (distance) C4'-P energy: -49.356
bonds (distance) P-C4' energy: -55.178
flat angles C4'-P-C4' energy: -52.590
flat angles P-C4'-P energy: -37.502
tors. eta vs tors. theta energy: -74.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -818.270534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.270534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.270534 (E_RNA)
where:
Base-Base interactions energy: -568.672
where: short stacking energy: -243.052
Base-Backbone interact. energy: -0.843
local terms energy: -248.754660
where:
bonds (distance) C4'-P energy: -49.348
bonds (distance) P-C4' energy: -43.086
flat angles C4'-P-C4' energy: -56.281
flat angles P-C4'-P energy: -31.953
tors. eta vs tors. theta energy: -68.087
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: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -805.689658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.689658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.689658 (E_RNA)
where:
Base-Base interactions energy: -572.347
where: short stacking energy: -238.798
Base-Backbone interact. energy: -1.989
local terms energy: -231.352982
where:
bonds (distance) C4'-P energy: -44.619
bonds (distance) P-C4' energy: -47.476
flat angles C4'-P-C4' energy: -53.611
flat angles P-C4'-P energy: -25.534
tors. eta vs tors. theta energy: -60.112
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: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -803.433519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.433519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.433519 (E_RNA)
where:
Base-Base interactions energy: -572.069
where: short stacking energy: -246.569
Base-Backbone interact. energy: -0.704
local terms energy: -230.660213
where:
bonds (distance) C4'-P energy: -34.495
bonds (distance) P-C4' energy: -45.750
flat angles C4'-P-C4' energy: -50.963
flat angles P-C4'-P energy: -34.788
tors. eta vs tors. theta energy: -64.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -738.138363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.138363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.138363 (E_RNA)
where:
Base-Base interactions energy: -509.022
where: short stacking energy: -209.760
Base-Backbone interact. energy: 6.499
local terms energy: -235.615987
where:
bonds (distance) C4'-P energy: -49.639
bonds (distance) P-C4' energy: -47.299
flat angles C4'-P-C4' energy: -50.950
flat angles P-C4'-P energy: -28.403
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: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -753.209597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.209597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.209597 (E_RNA)
where:
Base-Base interactions energy: -532.755
where: short stacking energy: -217.541
Base-Backbone interact. energy: 1.219
local terms energy: -221.673460
where:
bonds (distance) C4'-P energy: -42.066
bonds (distance) P-C4' energy: -42.276
flat angles C4'-P-C4' energy: -52.582
flat angles P-C4'-P energy: -31.372
tors. eta vs tors. theta energy: -53.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -639.225481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.225481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.225481 (E_RNA)
where:
Base-Base interactions energy: -423.980
where: short stacking energy: -192.934
Base-Backbone interact. energy: 0.179
local terms energy: -215.424777
where:
bonds (distance) C4'-P energy: -51.373
bonds (distance) P-C4' energy: -39.144
flat angles C4'-P-C4' energy: -43.272
flat angles P-C4'-P energy: -32.583
tors. eta vs tors. theta energy: -49.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -458.445409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.445409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.445409 (E_RNA)
where:
Base-Base interactions energy: -287.711
where: short stacking energy: -137.201
Base-Backbone interact. energy: -1.459
local terms energy: -169.275552
where:
bonds (distance) C4'-P energy: -33.751
bonds (distance) P-C4' energy: -43.606
flat angles C4'-P-C4' energy: -42.527
flat angles P-C4'-P energy: -23.593
tors. eta vs tors. theta energy: -25.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -414.695189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.695189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.695189 (E_RNA)
where:
Base-Base interactions energy: -225.177
where: short stacking energy: -111.520
Base-Backbone interact. energy: -1.200
local terms energy: -188.318815
where:
bonds (distance) C4'-P energy: -48.069
bonds (distance) P-C4' energy: -48.874
flat angles C4'-P-C4' energy: -48.802
flat angles P-C4'-P energy: -27.180
tors. eta vs tors. theta energy: -15.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -212.646129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.646129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.646129 (E_RNA)
where:
Base-Base interactions energy: -74.751
where: short stacking energy: -61.237
Base-Backbone interact. energy: -1.624
local terms energy: -136.271265
where:
bonds (distance) C4'-P energy: -39.254
bonds (distance) P-C4' energy: -46.158
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -24.850
tors. eta vs tors. theta energy: -0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -838.489542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.489542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.489542 (E_RNA)
where:
Base-Base interactions energy: -567.703
where: short stacking energy: -249.705
Base-Backbone interact. energy: -0.267
local terms energy: -270.519595
where:
bonds (distance) C4'-P energy: -47.763
bonds (distance) P-C4' energy: -53.421
flat angles C4'-P-C4' energy: -53.827
flat angles P-C4'-P energy: -36.663
tors. eta vs tors. theta energy: -78.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -829.362890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.362890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.362890 (E_RNA)
where:
Base-Base interactions energy: -580.091
where: short stacking energy: -243.904
Base-Backbone interact. energy: 0.153
local terms energy: -249.425488
where:
bonds (distance) C4'-P energy: -48.518
bonds (distance) P-C4' energy: -52.713
flat angles C4'-P-C4' energy: -51.582
flat angles P-C4'-P energy: -41.092
tors. eta vs tors. theta energy: -55.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -804.195550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.195550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.195550 (E_RNA)
where:
Base-Base interactions energy: -553.740
where: short stacking energy: -239.002
Base-Backbone interact. energy: -0.387
local terms energy: -250.068585
where:
bonds (distance) C4'-P energy: -47.949
bonds (distance) P-C4' energy: -49.267
flat angles C4'-P-C4' energy: -51.652
flat angles P-C4'-P energy: -33.185
tors. eta vs tors. theta energy: -68.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -774.109455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.109455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.109455 (E_RNA)
where:
Base-Base interactions energy: -542.340
where: short stacking energy: -238.040
Base-Backbone interact. energy: -0.414
local terms energy: -231.355847
where:
bonds (distance) C4'-P energy: -50.583
bonds (distance) P-C4' energy: -35.378
flat angles C4'-P-C4' energy: -50.791
flat angles P-C4'-P energy: -32.858
tors. eta vs tors. theta energy: -61.747
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: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -737.152814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.152814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.152814 (E_RNA)
where:
Base-Base interactions energy: -512.193
where: short stacking energy: -223.377
Base-Backbone interact. energy: -0.895
local terms energy: -224.064792
where:
bonds (distance) C4'-P energy: -33.947
bonds (distance) P-C4' energy: -41.727
flat angles C4'-P-C4' energy: -46.353
flat angles P-C4'-P energy: -30.991
tors. eta vs tors. theta energy: -71.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -748.734978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.734978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.734978 (E_RNA)
where:
Base-Base interactions energy: -525.765
where: short stacking energy: -215.559
Base-Backbone interact. energy: -1.143
local terms energy: -221.827260
where:
bonds (distance) C4'-P energy: -39.471
bonds (distance) P-C4' energy: -48.977
flat angles C4'-P-C4' energy: -43.996
flat angles P-C4'-P energy: -34.073
tors. eta vs tors. theta energy: -55.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -686.201327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.201327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.201327 (E_RNA)
where:
Base-Base interactions energy: -470.228
where: short stacking energy: -211.888
Base-Backbone interact. energy: -0.482
local terms energy: -215.491919
where:
bonds (distance) C4'-P energy: -46.422
bonds (distance) P-C4' energy: -49.428
flat angles C4'-P-C4' energy: -38.078
flat angles P-C4'-P energy: -31.258
tors. eta vs tors. theta energy: -50.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -435.662031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.662031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.662031 (E_RNA)
where:
Base-Base interactions energy: -265.314
where: short stacking energy: -135.581
Base-Backbone interact. energy: -0.737
local terms energy: -169.611005
where:
bonds (distance) C4'-P energy: -44.127
bonds (distance) P-C4' energy: -41.488
flat angles C4'-P-C4' energy: -40.843
flat angles P-C4'-P energy: -10.535
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: 9, replica: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -473.387667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.387667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.387667 (E_RNA)
where:
Base-Base interactions energy: -314.940
where: short stacking energy: -140.683
Base-Backbone interact. energy: 0.037
local terms energy: -158.484984
where:
bonds (distance) C4'-P energy: -33.232
bonds (distance) P-C4' energy: -40.773
flat angles C4'-P-C4' energy: -31.536
flat angles P-C4'-P energy: -27.889
tors. eta vs tors. theta energy: -25.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -228.876023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.876023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.876023 (E_RNA)
where:
Base-Base interactions energy: -91.477
where: short stacking energy: -54.154
Base-Backbone interact. energy: 1.165
local terms energy: -138.563655
where:
bonds (distance) C4'-P energy: -42.369
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -39.017
flat angles P-C4'-P energy: -33.230
tors. eta vs tors. theta energy: 6.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -863.149731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.149731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.149731 (E_RNA)
where:
Base-Base interactions energy: -596.595
where: short stacking energy: -271.559
Base-Backbone interact. energy: -0.250
local terms energy: -266.305062
where:
bonds (distance) C4'-P energy: -43.527
bonds (distance) P-C4' energy: -47.244
flat angles C4'-P-C4' energy: -54.306
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: -79.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -841.824889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.824889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.824889 (E_RNA)
where:
Base-Base interactions energy: -594.018
where: short stacking energy: -248.172
Base-Backbone interact. energy: -0.911
local terms energy: -246.895038
where:
bonds (distance) C4'-P energy: -47.148
bonds (distance) P-C4' energy: -44.645
flat angles C4'-P-C4' energy: -55.648
flat angles P-C4'-P energy: -39.339
tors. eta vs tors. theta energy: -60.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -799.616520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.616520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.616520 (E_RNA)
where:
Base-Base interactions energy: -552.239
where: short stacking energy: -231.223
Base-Backbone interact. energy: 1.934
local terms energy: -249.311109
where:
bonds (distance) C4'-P energy: -41.343
bonds (distance) P-C4' energy: -48.580
flat angles C4'-P-C4' energy: -55.355
flat angles P-C4'-P energy: -38.401
tors. eta vs tors. theta energy: -65.632
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: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -785.903152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.903152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.903152 (E_RNA)
where:
Base-Base interactions energy: -542.193
where: short stacking energy: -239.905
Base-Backbone interact. energy: -0.587
local terms energy: -243.123371
where:
bonds (distance) C4'-P energy: -41.496
bonds (distance) P-C4' energy: -49.175
flat angles C4'-P-C4' energy: -44.173
flat angles P-C4'-P energy: -38.016
tors. eta vs tors. theta energy: -70.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -739.237889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.237889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.237889 (E_RNA)
where:
Base-Base interactions energy: -507.272
where: short stacking energy: -211.922
Base-Backbone interact. energy: -2.571
local terms energy: -229.395637
where:
bonds (distance) C4'-P energy: -45.635
bonds (distance) P-C4' energy: -40.359
flat angles C4'-P-C4' energy: -52.458
flat angles P-C4'-P energy: -31.158
tors. eta vs tors. theta energy: -59.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -753.426213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.426213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.426213 (E_RNA)
where:
Base-Base interactions energy: -540.083
where: short stacking energy: -208.395
Base-Backbone interact. energy: 2.320
local terms energy: -215.663401
where:
bonds (distance) C4'-P energy: -35.185
bonds (distance) P-C4' energy: -51.223
flat angles C4'-P-C4' energy: -47.894
flat angles P-C4'-P energy: -32.407
tors. eta vs tors. theta energy: -48.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -636.628211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.628211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.628211 (E_RNA)
where:
Base-Base interactions energy: -422.052
where: short stacking energy: -187.126
Base-Backbone interact. energy: -1.295
local terms energy: -213.281184
where:
bonds (distance) C4'-P energy: -41.738
bonds (distance) P-C4' energy: -39.767
flat angles C4'-P-C4' energy: -52.613
flat angles P-C4'-P energy: -26.912
tors. eta vs tors. theta energy: -52.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -465.379208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.379208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.379208 (E_RNA)
where:
Base-Base interactions energy: -272.439
where: short stacking energy: -137.755
Base-Backbone interact. energy: -0.292
local terms energy: -192.647774
where:
bonds (distance) C4'-P energy: -39.974
bonds (distance) P-C4' energy: -48.377
flat angles C4'-P-C4' energy: -42.764
flat angles P-C4'-P energy: -31.579
tors. eta vs tors. theta energy: -29.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -483.399598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.399598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.399598 (E_RNA)
where:
Base-Base interactions energy: -317.188
where: short stacking energy: -148.435
Base-Backbone interact. energy: -0.636
local terms energy: -165.576135
where:
bonds (distance) C4'-P energy: -39.485
bonds (distance) P-C4' energy: -40.366
flat angles C4'-P-C4' energy: -38.112
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -33.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -210.828344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.828344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.828344 (E_RNA)
where:
Base-Base interactions energy: -70.987
where: short stacking energy: -47.695
Base-Backbone interact. energy: -1.111
local terms energy: -138.730667
where:
bonds (distance) C4'-P energy: -35.845
bonds (distance) P-C4' energy: -39.633
flat angles C4'-P-C4' energy: -32.914
flat angles P-C4'-P energy: -27.932
tors. eta vs tors. theta energy: -2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -831.144833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.144833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.144833 (E_RNA)
where:
Base-Base interactions energy: -556.634
where: short stacking energy: -251.368
Base-Backbone interact. energy: -1.103
local terms energy: -273.407311
where:
bonds (distance) C4'-P energy: -52.791
bonds (distance) P-C4' energy: -53.417
flat angles C4'-P-C4' energy: -51.668
flat angles P-C4'-P energy: -38.952
tors. eta vs tors. theta energy: -76.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -829.498773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.498773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.498773 (E_RNA)
where:
Base-Base interactions energy: -599.342
where: short stacking energy: -246.864
Base-Backbone interact. energy: -2.055
local terms energy: -228.101205
where:
bonds (distance) C4'-P energy: -40.599
bonds (distance) P-C4' energy: -45.273
flat angles C4'-P-C4' energy: -52.266
flat angles P-C4'-P energy: -31.789
tors. eta vs tors. theta energy: -58.174
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: 403
Temperature: 1.000000
Total energy: -789.788028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.788028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.788028 (E_RNA)
where:
Base-Base interactions energy: -548.577
where: short stacking energy: -221.674
Base-Backbone interact. energy: -0.763
local terms energy: -240.448058
where:
bonds (distance) C4'-P energy: -45.358
bonds (distance) P-C4' energy: -39.266
flat angles C4'-P-C4' energy: -59.986
flat angles P-C4'-P energy: -30.062
tors. eta vs tors. theta energy: -65.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -780.236288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.236288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.236288 (E_RNA)
where:
Base-Base interactions energy: -544.756
where: short stacking energy: -199.712
Base-Backbone interact. energy: -2.592
local terms energy: -232.888535
where:
bonds (distance) C4'-P energy: -49.485
bonds (distance) P-C4' energy: -43.458
flat angles C4'-P-C4' energy: -54.509
flat angles P-C4'-P energy: -29.182
tors. eta vs tors. theta energy: -56.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -772.648771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.648771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.648771 (E_RNA)
where:
Base-Base interactions energy: -536.959
where: short stacking energy: -234.559
Base-Backbone interact. energy: 0.307
local terms energy: -235.996970
where:
bonds (distance) C4'-P energy: -39.746
bonds (distance) P-C4' energy: -43.754
flat angles C4'-P-C4' energy: -51.817
flat angles P-C4'-P energy: -37.315
tors. eta vs tors. theta energy: -63.364
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: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -745.302260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.302260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.302260 (E_RNA)
where:
Base-Base interactions energy: -529.387
where: short stacking energy: -201.804
Base-Backbone interact. energy: 3.108
local terms energy: -219.023513
where:
bonds (distance) C4'-P energy: -40.522
bonds (distance) P-C4' energy: -51.825
flat angles C4'-P-C4' energy: -51.068
flat angles P-C4'-P energy: -25.008
tors. eta vs tors. theta energy: -50.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -637.799834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.799834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.799834 (E_RNA)
where:
Base-Base interactions energy: -456.790
where: short stacking energy: -202.207
Base-Backbone interact. energy: 6.440
local terms energy: -187.450448
where:
bonds (distance) C4'-P energy: -40.981
bonds (distance) P-C4' energy: -38.803
flat angles C4'-P-C4' energy: -41.255
flat angles P-C4'-P energy: -17.464
tors. eta vs tors. theta energy: -48.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -519.943016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.943016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.943016 (E_RNA)
where:
Base-Base interactions energy: -348.835
where: short stacking energy: -154.055
Base-Backbone interact. energy: -0.112
local terms energy: -170.996448
where:
bonds (distance) C4'-P energy: -47.381
bonds (distance) P-C4' energy: -41.351
flat angles C4'-P-C4' energy: -39.621
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -28.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -449.113461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.113461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.113461 (E_RNA)
where:
Base-Base interactions energy: -270.040
where: short stacking energy: -130.918
Base-Backbone interact. energy: -0.198
local terms energy: -178.875528
where:
bonds (distance) C4'-P energy: -40.583
bonds (distance) P-C4' energy: -36.546
flat angles C4'-P-C4' energy: -41.738
flat angles P-C4'-P energy: -34.036
tors. eta vs tors. theta energy: -25.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -212.773212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.773212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.773212 (E_RNA)
where:
Base-Base interactions energy: -79.367
where: short stacking energy: -38.641
Base-Backbone interact. energy: -0.916
local terms energy: -132.490209
where:
bonds (distance) C4'-P energy: -35.632
bonds (distance) P-C4' energy: -51.947
flat angles C4'-P-C4' energy: -28.623
flat angles P-C4'-P energy: -25.161
tors. eta vs tors. theta energy: 8.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -845.394231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.394231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.394231 (E_RNA)
where:
Base-Base interactions energy: -585.442
where: short stacking energy: -263.935
Base-Backbone interact. energy: -0.263
local terms energy: -259.689577
where:
bonds (distance) C4'-P energy: -40.142
bonds (distance) P-C4' energy: -47.639
flat angles C4'-P-C4' energy: -56.046
flat angles P-C4'-P energy: -39.704
tors. eta vs tors. theta energy: -76.159
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: 10
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -818.999187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.999187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.999187 (E_RNA)
where:
Base-Base interactions energy: -588.636
where: short stacking energy: -242.554
Base-Backbone interact. energy: -1.349
local terms energy: -229.014210
where:
bonds (distance) C4'-P energy: -49.669
bonds (distance) P-C4' energy: -50.367
flat angles C4'-P-C4' energy: -51.933
flat angles P-C4'-P energy: -25.055
tors. eta vs tors. theta energy: -51.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -784.116624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.116624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.116624 (E_RNA)
where:
Base-Base interactions energy: -556.965
where: short stacking energy: -222.109
Base-Backbone interact. energy: -2.237
local terms energy: -224.915200
where:
bonds (distance) C4'-P energy: -39.570
bonds (distance) P-C4' energy: -49.036
flat angles C4'-P-C4' energy: -45.979
flat angles P-C4'-P energy: -28.953
tors. eta vs tors. theta energy: -61.378
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: 4, replica: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -791.342898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.342898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.342898 (E_RNA)
where:
Base-Base interactions energy: -552.142
where: short stacking energy: -237.823
Base-Backbone interact. energy: -1.110
local terms energy: -238.090909
where:
bonds (distance) C4'-P energy: -45.458
bonds (distance) P-C4' energy: -39.239
flat angles C4'-P-C4' energy: -50.051
flat angles P-C4'-P energy: -34.260
tors. eta vs tors. theta energy: -69.085
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: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -766.577862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.577862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.577862 (E_RNA)
where:
Base-Base interactions energy: -531.384
where: short stacking energy: -235.930
Base-Backbone interact. energy: -0.309
local terms energy: -234.884315
where:
bonds (distance) C4'-P energy: -43.904
bonds (distance) P-C4' energy: -43.158
flat angles C4'-P-C4' energy: -50.200
flat angles P-C4'-P energy: -28.217
tors. eta vs tors. theta energy: -69.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -742.416199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.416199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.416199 (E_RNA)
where:
Base-Base interactions energy: -516.199
where: short stacking energy: -213.870
Base-Backbone interact. energy: 1.879
local terms energy: -228.096223
where:
bonds (distance) C4'-P energy: -44.560
bonds (distance) P-C4' energy: -55.441
flat angles C4'-P-C4' energy: -51.579
flat angles P-C4'-P energy: -30.196
tors. eta vs tors. theta energy: -46.321
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: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -641.814906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.814906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.814906 (E_RNA)
where:
Base-Base interactions energy: -425.945
where: short stacking energy: -190.055
Base-Backbone interact. energy: 0.513
local terms energy: -216.382719
where:
bonds (distance) C4'-P energy: -48.321
bonds (distance) P-C4' energy: -52.449
flat angles C4'-P-C4' energy: -46.475
flat angles P-C4'-P energy: -29.107
tors. eta vs tors. theta energy: -40.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -531.876010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.876010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.876010 (E_RNA)
where:
Base-Base interactions energy: -336.818
where: short stacking energy: -160.426
Base-Backbone interact. energy: -0.805
local terms energy: -194.252214
where:
bonds (distance) C4'-P energy: -44.944
bonds (distance) P-C4' energy: -42.198
flat angles C4'-P-C4' energy: -49.467
flat angles P-C4'-P energy: -22.823
tors. eta vs tors. theta energy: -34.821
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: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -438.644461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.644461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.644461 (E_RNA)
where:
Base-Base interactions energy: -262.226
where: short stacking energy: -125.770
Base-Backbone interact. energy: -0.857
local terms energy: -175.562005
where:
bonds (distance) C4'-P energy: -34.053
bonds (distance) P-C4' energy: -42.040
flat angles C4'-P-C4' energy: -42.767
flat angles P-C4'-P energy: -28.640
tors. eta vs tors. theta energy: -28.061
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: 10, replica: 7
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -228.107368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.107368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.107368 (E_RNA)
where:
Base-Base interactions energy: -96.343
where: short stacking energy: -86.020
Base-Backbone interact. energy: -0.281
local terms energy: -131.483086
where:
bonds (distance) C4'-P energy: -35.864
bonds (distance) P-C4' energy: -47.878
flat angles C4'-P-C4' energy: -32.486
flat angles P-C4'-P energy: -19.656
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: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -867.945229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.945229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.945229 (E_RNA)
where:
Base-Base interactions energy: -602.613
where: short stacking energy: -275.832
Base-Backbone interact. energy: -0.563
local terms energy: -264.769087
where:
bonds (distance) C4'-P energy: -49.657
bonds (distance) P-C4' energy: -40.536
flat angles C4'-P-C4' energy: -51.247
flat angles P-C4'-P energy: -40.296
tors. eta vs tors. theta energy: -83.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -829.035234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.035234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.035234 (E_RNA)
where:
Base-Base interactions energy: -588.637
where: short stacking energy: -245.699
Base-Backbone interact. energy: -0.306
local terms energy: -240.091832
where:
bonds (distance) C4'-P energy: -37.955
bonds (distance) P-C4' energy: -49.291
flat angles C4'-P-C4' energy: -52.221
flat angles P-C4'-P energy: -35.717
tors. eta vs tors. theta energy: -64.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -790.300171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.300171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.300171 (E_RNA)
where:
Base-Base interactions energy: -550.439
where: short stacking energy: -221.923
Base-Backbone interact. energy: 1.287
local terms energy: -241.147464
where:
bonds (distance) C4'-P energy: -48.590
bonds (distance) P-C4' energy: -45.719
flat angles C4'-P-C4' energy: -51.982
flat angles P-C4'-P energy: -30.813
tors. eta vs tors. theta energy: -64.044
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: 4, replica: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -800.601018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.601018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.601018 (E_RNA)
where:
Base-Base interactions energy: -543.356
where: short stacking energy: -232.701
Base-Backbone interact. energy: 0.259
local terms energy: -257.504292
where:
bonds (distance) C4'-P energy: -56.509
bonds (distance) P-C4' energy: -46.689
flat angles C4'-P-C4' energy: -52.728
flat angles P-C4'-P energy: -28.536
tors. eta vs tors. theta energy: -73.042
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: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -775.587946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.587946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.587946 (E_RNA)
where:
Base-Base interactions energy: -540.983
where: short stacking energy: -235.739
Base-Backbone interact. energy: -1.212
local terms energy: -233.392692
where:
bonds (distance) C4'-P energy: -40.821
bonds (distance) P-C4' energy: -53.651
flat angles C4'-P-C4' energy: -43.260
flat angles P-C4'-P energy: -28.686
tors. eta vs tors. theta energy: -66.974
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: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -701.571611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.571611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.571611 (E_RNA)
where:
Base-Base interactions energy: -481.601
where: short stacking energy: -201.172
Base-Backbone interact. energy: 2.215
local terms energy: -222.185501
where:
bonds (distance) C4'-P energy: -39.186
bonds (distance) P-C4' energy: -41.000
flat angles C4'-P-C4' energy: -51.790
flat angles P-C4'-P energy: -37.247
tors. eta vs tors. theta energy: -52.963
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: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -653.625917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.625917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.625917 (E_RNA)
where:
Base-Base interactions energy: -448.317
where: short stacking energy: -200.334
Base-Backbone interact. energy: 0.694
local terms energy: -206.002198
where:
bonds (distance) C4'-P energy: -41.646
bonds (distance) P-C4' energy: -37.847
flat angles C4'-P-C4' energy: -45.875
flat angles P-C4'-P energy: -31.247
tors. eta vs tors. theta energy: -49.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -474.258715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.258715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.258715 (E_RNA)
where:
Base-Base interactions energy: -297.477
where: short stacking energy: -143.327
Base-Backbone interact. energy: -0.817
local terms energy: -175.964592
where:
bonds (distance) C4'-P energy: -45.564
bonds (distance) P-C4' energy: -50.508
flat angles C4'-P-C4' energy: -35.393
flat angles P-C4'-P energy: -28.437
tors. eta vs tors. theta energy: -16.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -531.584785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.584785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.584785 (E_RNA)
where:
Base-Base interactions energy: -346.548
where: short stacking energy: -158.112
Base-Backbone interact. energy: 1.647
local terms energy: -186.683507
where:
bonds (distance) C4'-P energy: -41.262
bonds (distance) P-C4' energy: -37.177
flat angles C4'-P-C4' energy: -51.604
flat angles P-C4'-P energy: -25.349
tors. eta vs tors. theta energy: -31.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -217.189087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.189087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.189087 (E_RNA)
where:
Base-Base interactions energy: -80.277
where: short stacking energy: -72.513
Base-Backbone interact. energy: 0.361
local terms energy: -137.273176
where:
bonds (distance) C4'-P energy: -47.949
bonds (distance) P-C4' energy: -48.355
flat angles C4'-P-C4' energy: -34.840
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: 5.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -868.674111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.674111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.674111 (E_RNA)
where:
Base-Base interactions energy: -598.881
where: short stacking energy: -260.067
Base-Backbone interact. energy: 0.319
local terms energy: -270.111844
where:
bonds (distance) C4'-P energy: -54.199
bonds (distance) P-C4' energy: -48.489
flat angles C4'-P-C4' energy: -51.864
flat angles P-C4'-P energy: -43.560
tors. eta vs tors. theta energy: -72.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -808.621275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.621275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.621275 (E_RNA)
where:
Base-Base interactions energy: -587.429
where: short stacking energy: -240.689
Base-Backbone interact. energy: 3.029
local terms energy: -224.221229
where:
bonds (distance) C4'-P energy: -43.602
bonds (distance) P-C4' energy: -37.981
flat angles C4'-P-C4' energy: -48.990
flat angles P-C4'-P energy: -38.183
tors. eta vs tors. theta energy: -55.465
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: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -815.499644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.499644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.499644 (E_RNA)
where:
Base-Base interactions energy: -556.127
where: short stacking energy: -225.167
Base-Backbone interact. energy: -1.089
local terms energy: -258.283676
where:
bonds (distance) C4'-P energy: -40.119
bonds (distance) P-C4' energy: -53.011
flat angles C4'-P-C4' energy: -56.086
flat angles P-C4'-P energy: -37.986
tors. eta vs tors. theta energy: -71.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -793.771283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.771283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.771283 (E_RNA)
where:
Base-Base interactions energy: -555.260
where: short stacking energy: -241.783
Base-Backbone interact. energy: -1.224
local terms energy: -237.287147
where:
bonds (distance) C4'-P energy: -43.096
bonds (distance) P-C4' energy: -47.814
flat angles C4'-P-C4' energy: -47.884
flat angles P-C4'-P energy: -28.982
tors. eta vs tors. theta energy: -69.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -792.313046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.313046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.313046 (E_RNA)
where:
Base-Base interactions energy: -556.937
where: short stacking energy: -237.252
Base-Backbone interact. energy: 0.096
local terms energy: -235.472752
where:
bonds (distance) C4'-P energy: -47.672
bonds (distance) P-C4' energy: -37.967
flat angles C4'-P-C4' energy: -43.850
flat angles P-C4'-P energy: -36.584
tors. eta vs tors. theta energy: -69.399
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: 6, replica: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -698.835997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.835997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.835997 (E_RNA)
where:
Base-Base interactions energy: -478.787
where: short stacking energy: -205.575
Base-Backbone interact. energy: -0.614
local terms energy: -219.434998
where:
bonds (distance) C4'-P energy: -46.154
bonds (distance) P-C4' energy: -45.993
flat angles C4'-P-C4' energy: -41.639
flat angles P-C4'-P energy: -27.812
tors. eta vs tors. theta energy: -57.838
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: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -618.269112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.269112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.269112 (E_RNA)
where:
Base-Base interactions energy: -426.533
where: short stacking energy: -185.736
Base-Backbone interact. energy: -0.121
local terms energy: -191.615107
where:
bonds (distance) C4'-P energy: -45.252
bonds (distance) P-C4' energy: -44.689
flat angles C4'-P-C4' energy: -43.716
flat angles P-C4'-P energy: -21.615
tors. eta vs tors. theta energy: -36.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -469.132384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.132384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.132384 (E_RNA)
where:
Base-Base interactions energy: -297.951
where: short stacking energy: -128.852
Base-Backbone interact. energy: -1.783
local terms energy: -169.398983
where:
bonds (distance) C4'-P energy: -44.129
bonds (distance) P-C4' energy: -40.313
flat angles C4'-P-C4' energy: -36.650
flat angles P-C4'-P energy: -25.511
tors. eta vs tors. theta energy: -22.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -476.035691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.035691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.035691 (E_RNA)
where:
Base-Base interactions energy: -308.324
where: short stacking energy: -159.539
Base-Backbone interact. energy: -2.223
local terms energy: -165.489344
where:
bonds (distance) C4'-P energy: -31.060
bonds (distance) P-C4' energy: -38.949
flat angles C4'-P-C4' energy: -44.497
flat angles P-C4'-P energy: -21.817
tors. eta vs tors. theta energy: -29.166
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: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -222.560785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.560785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.560785 (E_RNA)
where:
Base-Base interactions energy: -77.476
where: short stacking energy: -70.320
Base-Backbone interact. energy: -0.242
local terms energy: -144.842312
where:
bonds (distance) C4'-P energy: -50.850
bonds (distance) P-C4' energy: -42.694
flat angles C4'-P-C4' energy: -33.679
flat angles P-C4'-P energy: -18.322
tors. eta vs tors. theta energy: 0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -859.696809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.696809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.696809 (E_RNA)
where:
Base-Base interactions energy: -588.710
where: short stacking energy: -269.408
Base-Backbone interact. energy: -0.884
local terms energy: -270.102532
where:
bonds (distance) C4'-P energy: -48.176
bonds (distance) P-C4' energy: -51.970
flat angles C4'-P-C4' energy: -60.092
flat angles P-C4'-P energy: -33.911
tors. eta vs tors. theta energy: -75.954
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: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -828.805151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.805151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.805151 (E_RNA)
where:
Base-Base interactions energy: -571.102
where: short stacking energy: -239.794
Base-Backbone interact. energy: -2.052
local terms energy: -255.651011
where:
bonds (distance) C4'-P energy: -42.332
bonds (distance) P-C4' energy: -51.392
flat angles C4'-P-C4' energy: -57.021
flat angles P-C4'-P energy: -36.494
tors. eta vs tors. theta energy: -68.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -798.198684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.198684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.198684 (E_RNA)
where:
Base-Base interactions energy: -555.657
where: short stacking energy: -234.412
Base-Backbone interact. energy: -0.015
local terms energy: -242.526350
where:
bonds (distance) C4'-P energy: -49.008
bonds (distance) P-C4' energy: -50.948
flat angles C4'-P-C4' energy: -53.451
flat angles P-C4'-P energy: -31.615
tors. eta vs tors. theta energy: -57.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -761.456933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.456933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.456933 (E_RNA)
where:
Base-Base interactions energy: -523.250
where: short stacking energy: -219.858
Base-Backbone interact. energy: -0.993
local terms energy: -237.214351
where:
bonds (distance) C4'-P energy: -47.505
bonds (distance) P-C4' energy: -44.677
flat angles C4'-P-C4' energy: -56.742
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: -63.580
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: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -760.563071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.563071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.563071 (E_RNA)
where:
Base-Base interactions energy: -518.476
where: short stacking energy: -218.718
Base-Backbone interact. energy: -1.582
local terms energy: -240.505461
where:
bonds (distance) C4'-P energy: -45.570
bonds (distance) P-C4' energy: -52.733
flat angles C4'-P-C4' energy: -50.888
flat angles P-C4'-P energy: -27.231
tors. eta vs tors. theta energy: -64.083
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: 4
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -714.065295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.065295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.065295 (E_RNA)
where:
Base-Base interactions energy: -492.696
where: short stacking energy: -191.944
Base-Backbone interact. energy: 0.373
local terms energy: -221.741633
where:
bonds (distance) C4'-P energy: -46.868
bonds (distance) P-C4' energy: -43.591
flat angles C4'-P-C4' energy: -47.514
flat angles P-C4'-P energy: -27.127
tors. eta vs tors. theta energy: -56.641
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: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -646.618937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.618937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.618937 (E_RNA)
where:
Base-Base interactions energy: -437.109
where: short stacking energy: -189.668
Base-Backbone interact. energy: -1.065
local terms energy: -208.445480
where:
bonds (distance) C4'-P energy: -35.956
bonds (distance) P-C4' energy: -41.990
flat angles C4'-P-C4' energy: -50.330
flat angles P-C4'-P energy: -35.362
tors. eta vs tors. theta energy: -44.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -470.027161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.027161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.027161 (E_RNA)
where:
Base-Base interactions energy: -278.919
where: short stacking energy: -134.320
Base-Backbone interact. energy: 1.091
local terms energy: -192.198828
where:
bonds (distance) C4'-P energy: -47.349
bonds (distance) P-C4' energy: -44.702
flat angles C4'-P-C4' energy: -43.045
flat angles P-C4'-P energy: -26.572
tors. eta vs tors. theta energy: -30.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -459.793532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.793532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.793532 (E_RNA)
where:
Base-Base interactions energy: -292.147
where: short stacking energy: -136.751
Base-Backbone interact. energy: -1.830
local terms energy: -165.816703
where:
bonds (distance) C4'-P energy: -38.612
bonds (distance) P-C4' energy: -31.002
flat angles C4'-P-C4' energy: -36.782
flat angles P-C4'-P energy: -29.560
tors. eta vs tors. theta energy: -29.861
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: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -215.376733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.376733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.376733 (E_RNA)
where:
Base-Base interactions energy: -77.859
where: short stacking energy: -74.315
Base-Backbone interact. energy: 1.373
local terms energy: -138.890476
where:
bonds (distance) C4'-P energy: -31.163
bonds (distance) P-C4' energy: -33.066
flat angles C4'-P-C4' energy: -48.762
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -833.590248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.590248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.590248 (E_RNA)
where:
Base-Base interactions energy: -572.470
where: short stacking energy: -237.226
Base-Backbone interact. energy: -1.547
local terms energy: -259.573502
where:
bonds (distance) C4'-P energy: -50.994
bonds (distance) P-C4' energy: -47.735
flat angles C4'-P-C4' energy: -55.321
flat angles P-C4'-P energy: -36.737
tors. eta vs tors. theta energy: -68.786
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: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -853.768307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.768307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.768307 (E_RNA)
where:
Base-Base interactions energy: -588.997
where: short stacking energy: -254.443
Base-Backbone interact. energy: -1.424
local terms energy: -263.348238
where:
bonds (distance) C4'-P energy: -48.669
bonds (distance) P-C4' energy: -47.611
flat angles C4'-P-C4' energy: -48.383
flat angles P-C4'-P energy: -38.261
tors. eta vs tors. theta energy: -80.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -804.474273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.474273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.474273 (E_RNA)
where:
Base-Base interactions energy: -576.982
where: short stacking energy: -246.678
Base-Backbone interact. energy: -1.164
local terms energy: -226.328097
where:
bonds (distance) C4'-P energy: -41.814
bonds (distance) P-C4' energy: -38.859
flat angles C4'-P-C4' energy: -59.143
flat angles P-C4'-P energy: -34.611
tors. eta vs tors. theta energy: -51.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -765.258378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.258378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.258378 (E_RNA)
where:
Base-Base interactions energy: -526.597
where: short stacking energy: -224.363
Base-Backbone interact. energy: -0.024
local terms energy: -238.638169
where:
bonds (distance) C4'-P energy: -37.458
bonds (distance) P-C4' energy: -53.503
flat angles C4'-P-C4' energy: -47.409
flat angles P-C4'-P energy: -37.879
tors. eta vs tors. theta energy: -62.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -764.415326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.415326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.415326 (E_RNA)
where:
Base-Base interactions energy: -515.414
where: short stacking energy: -222.912
Base-Backbone interact. energy: -2.397
local terms energy: -246.604277
where:
bonds (distance) C4'-P energy: -41.333
bonds (distance) P-C4' energy: -41.624
flat angles C4'-P-C4' energy: -61.000
flat angles P-C4'-P energy: -35.289
tors. eta vs tors. theta energy: -67.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -735.753160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.753160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.753160 (E_RNA)
where:
Base-Base interactions energy: -523.481
where: short stacking energy: -208.218
Base-Backbone interact. energy: 1.245
local terms energy: -213.517696
where:
bonds (distance) C4'-P energy: -44.953
bonds (distance) P-C4' energy: -27.526
flat angles C4'-P-C4' energy: -55.165
flat angles P-C4'-P energy: -34.267
tors. eta vs tors. theta energy: -51.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -654.639934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.639934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.639934 (E_RNA)
where:
Base-Base interactions energy: -457.308
where: short stacking energy: -190.158
Base-Backbone interact. energy: -1.603
local terms energy: -195.728893
where:
bonds (distance) C4'-P energy: -38.507
bonds (distance) P-C4' energy: -42.387
flat angles C4'-P-C4' energy: -43.437
flat angles P-C4'-P energy: -23.337
tors. eta vs tors. theta energy: -48.061
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: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -453.367408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.367408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.367408 (E_RNA)
where:
Base-Base interactions energy: -286.389
where: short stacking energy: -136.656
Base-Backbone interact. energy: 1.449
local terms energy: -168.426864
where:
bonds (distance) C4'-P energy: -40.796
bonds (distance) P-C4' energy: -32.062
flat angles C4'-P-C4' energy: -41.305
flat angles P-C4'-P energy: -28.535
tors. eta vs tors. theta energy: -25.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -468.934175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.934175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.934175 (E_RNA)
where:
Base-Base interactions energy: -311.046
where: short stacking energy: -145.090
Base-Backbone interact. energy: 1.114
local terms energy: -159.002870
where:
bonds (distance) C4'-P energy: -27.602
bonds (distance) P-C4' energy: -39.621
flat angles C4'-P-C4' energy: -47.813
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -24.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -214.112750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.112750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.112750 (E_RNA)
where:
Base-Base interactions energy: -88.878
where: short stacking energy: -59.022
Base-Backbone interact. energy: -0.824
local terms energy: -124.410726
where:
bonds (distance) C4'-P energy: -24.625
bonds (distance) P-C4' energy: -40.814
flat angles C4'-P-C4' energy: -35.713
flat angles P-C4'-P energy: -21.602
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -839.297944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.297944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.297944 (E_RNA)
where:
Base-Base interactions energy: -576.641
where: short stacking energy: -237.272
Base-Backbone interact. energy: -2.860
local terms energy: -259.797446
where:
bonds (distance) C4'-P energy: -44.698
bonds (distance) P-C4' energy: -53.968
flat angles C4'-P-C4' energy: -55.357
flat angles P-C4'-P energy: -40.189
tors. eta vs tors. theta energy: -65.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -835.059927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.059927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.059927 (E_RNA)
where:
Base-Base interactions energy: -571.119
where: short stacking energy: -258.457
Base-Backbone interact. energy: -0.316
local terms energy: -263.625541
where:
bonds (distance) C4'-P energy: -47.437
bonds (distance) P-C4' energy: -47.634
flat angles C4'-P-C4' energy: -53.008
flat angles P-C4'-P energy: -37.774
tors. eta vs tors. theta energy: -77.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -798.824743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.824743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.824743 (E_RNA)
where:
Base-Base interactions energy: -574.423
where: short stacking energy: -227.139
Base-Backbone interact. energy: 4.029
local terms energy: -228.431141
where:
bonds (distance) C4'-P energy: -49.520
bonds (distance) P-C4' energy: -33.251
flat angles C4'-P-C4' energy: -50.451
flat angles P-C4'-P energy: -41.195
tors. eta vs tors. theta energy: -54.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -768.730752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.730752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.730752 (E_RNA)
where:
Base-Base interactions energy: -525.789
where: short stacking energy: -224.665
Base-Backbone interact. energy: -1.851
local terms energy: -241.090985
where:
bonds (distance) C4'-P energy: -45.582
bonds (distance) P-C4' energy: -37.610
flat angles C4'-P-C4' energy: -57.185
flat angles P-C4'-P energy: -34.180
tors. eta vs tors. theta energy: -66.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -756.476037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.476037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.476037 (E_RNA)
where:
Base-Base interactions energy: -526.816
where: short stacking energy: -224.866
Base-Backbone interact. energy: 0.372
local terms energy: -230.032562
where:
bonds (distance) C4'-P energy: -37.829
bonds (distance) P-C4' energy: -52.060
flat angles C4'-P-C4' energy: -51.562
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: -61.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -724.136493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.136493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.136493 (E_RNA)
where:
Base-Base interactions energy: -511.243
where: short stacking energy: -204.094
Base-Backbone interact. energy: 1.915
local terms energy: -214.808443
where:
bonds (distance) C4'-P energy: -37.706
bonds (distance) P-C4' energy: -50.836
flat angles C4'-P-C4' energy: -43.403
flat angles P-C4'-P energy: -33.334
tors. eta vs tors. theta energy: -49.529
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: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -630.899719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.899719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.899719 (E_RNA)
where:
Base-Base interactions energy: -429.486
where: short stacking energy: -191.551
Base-Backbone interact. energy: -0.719
local terms energy: -200.694243
where:
bonds (distance) C4'-P energy: -36.327
bonds (distance) P-C4' energy: -45.674
flat angles C4'-P-C4' energy: -47.052
flat angles P-C4'-P energy: -25.942
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: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -426.691030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.691030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.691030 (E_RNA)
where:
Base-Base interactions energy: -269.175
where: short stacking energy: -147.863
Base-Backbone interact. energy: 0.999
local terms energy: -158.515477
where:
bonds (distance) C4'-P energy: -32.102
bonds (distance) P-C4' energy: -33.377
flat angles C4'-P-C4' energy: -47.196
flat angles P-C4'-P energy: -20.957
tors. eta vs tors. theta energy: -24.884
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: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -447.533926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.533926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.533926 (E_RNA)
where:
Base-Base interactions energy: -273.873
where: short stacking energy: -139.314
Base-Backbone interact. energy: -0.597
local terms energy: -173.064049
where:
bonds (distance) C4'-P energy: -43.398
bonds (distance) P-C4' energy: -37.061
flat angles C4'-P-C4' energy: -39.526
flat angles P-C4'-P energy: -24.251
tors. eta vs tors. theta energy: -28.828
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: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -224.666689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.666689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.666689 (E_RNA)
where:
Base-Base interactions energy: -84.897
where: short stacking energy: -78.138
Base-Backbone interact. energy: -0.070
local terms energy: -139.699932
where:
bonds (distance) C4'-P energy: -45.971
bonds (distance) P-C4' energy: -39.154
flat angles C4'-P-C4' energy: -30.133
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -865.371963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.371963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.371963 (E_RNA)
where:
Base-Base interactions energy: -592.726
where: short stacking energy: -261.387
Base-Backbone interact. energy: -0.597
local terms energy: -272.048823
where:
bonds (distance) C4'-P energy: -45.535
bonds (distance) P-C4' energy: -50.993
flat angles C4'-P-C4' energy: -55.884
flat angles P-C4'-P energy: -41.704
tors. eta vs tors. theta energy: -77.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -819.808887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.808887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.808887 (E_RNA)
where:
Base-Base interactions energy: -560.015
where: short stacking energy: -227.343
Base-Backbone interact. energy: -0.120
local terms energy: -259.674068
where:
bonds (distance) C4'-P energy: -53.137
bonds (distance) P-C4' energy: -47.549
flat angles C4'-P-C4' energy: -51.365
flat angles P-C4'-P energy: -43.709
tors. eta vs tors. theta energy: -63.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -783.712426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.712426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.712426 (E_RNA)
where:
Base-Base interactions energy: -542.190
where: short stacking energy: -213.658
Base-Backbone interact. energy: -1.373
local terms energy: -240.148954
where:
bonds (distance) C4'-P energy: -57.522
bonds (distance) P-C4' energy: -49.395
flat angles C4'-P-C4' energy: -55.086
flat angles P-C4'-P energy: -27.460
tors. eta vs tors. theta energy: -50.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -780.273200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.273200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.273200 (E_RNA)
where:
Base-Base interactions energy: -546.866
where: short stacking energy: -228.739
Base-Backbone interact. energy: -0.987
local terms energy: -232.419933
where:
bonds (distance) C4'-P energy: -46.933
bonds (distance) P-C4' energy: -44.500
flat angles C4'-P-C4' energy: -49.985
flat angles P-C4'-P energy: -30.243
tors. eta vs tors. theta energy: -60.760
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: 410
Temperature: 1.100000
Total energy: -751.090866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.090866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.090866 (E_RNA)
where:
Base-Base interactions energy: -504.951
where: short stacking energy: -242.173
Base-Backbone interact. energy: 0.556
local terms energy: -246.695868
where:
bonds (distance) C4'-P energy: -50.959
bonds (distance) P-C4' energy: -40.322
flat angles C4'-P-C4' energy: -55.721
flat angles P-C4'-P energy: -33.290
tors. eta vs tors. theta energy: -66.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -725.902912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.902912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.902912 (E_RNA)
where:
Base-Base interactions energy: -523.461
where: short stacking energy: -200.509
Base-Backbone interact. energy: -1.003
local terms energy: -201.438854
where:
bonds (distance) C4'-P energy: -41.602
bonds (distance) P-C4' energy: -41.684
flat angles C4'-P-C4' energy: -48.476
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -47.575
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: 9
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -643.956377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.956377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.956377 (E_RNA)
where:
Base-Base interactions energy: -440.301
where: short stacking energy: -187.511
Base-Backbone interact. energy: -0.310
local terms energy: -203.345320
where:
bonds (distance) C4'-P energy: -44.038
bonds (distance) P-C4' energy: -41.354
flat angles C4'-P-C4' energy: -50.149
flat angles P-C4'-P energy: -22.854
tors. eta vs tors. theta energy: -44.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -468.948030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.948030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.948030 (E_RNA)
where:
Base-Base interactions energy: -304.529
where: short stacking energy: -137.935
Base-Backbone interact. energy: -0.498
local terms energy: -163.920570
where:
bonds (distance) C4'-P energy: -37.186
bonds (distance) P-C4' energy: -43.605
flat angles C4'-P-C4' energy: -37.083
flat angles P-C4'-P energy: -23.282
tors. eta vs tors. theta energy: -22.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -444.208613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.208613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.208613 (E_RNA)
where:
Base-Base interactions energy: -274.689
where: short stacking energy: -131.495
Base-Backbone interact. energy: 1.815
local terms energy: -171.334434
where:
bonds (distance) C4'-P energy: -40.269
bonds (distance) P-C4' energy: -47.800
flat angles C4'-P-C4' energy: -34.922
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: -24.792
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: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -231.571659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.571659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.571659 (E_RNA)
where:
Base-Base interactions energy: -107.006
where: short stacking energy: -72.107
Base-Backbone interact. energy: 0.339
local terms energy: -124.904147
where:
bonds (distance) C4'-P energy: -30.988
bonds (distance) P-C4' energy: -34.940
flat angles C4'-P-C4' energy: -36.364
flat angles P-C4'-P energy: -25.734
tors. eta vs tors. theta energy: 3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -858.514999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.514999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.514999 (E_RNA)
where:
Base-Base interactions energy: -594.627
where: short stacking energy: -270.584
Base-Backbone interact. energy: -0.714
local terms energy: -263.174340
where:
bonds (distance) C4'-P energy: -46.701
bonds (distance) P-C4' energy: -48.164
flat angles C4'-P-C4' energy: -52.829
flat angles P-C4'-P energy: -38.569
tors. eta vs tors. theta energy: -76.912
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: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -819.497227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.497227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.497227 (E_RNA)
where:
Base-Base interactions energy: -562.492
where: short stacking energy: -238.122
Base-Backbone interact. energy: -1.847
local terms energy: -255.158583
where:
bonds (distance) C4'-P energy: -43.680
bonds (distance) P-C4' energy: -55.404
flat angles C4'-P-C4' energy: -51.823
flat angles P-C4'-P energy: -33.346
tors. eta vs tors. theta energy: -70.907
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: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -777.523710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.523710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.523710 (E_RNA)
where:
Base-Base interactions energy: -548.587
where: short stacking energy: -230.708
Base-Backbone interact. energy: -0.865
local terms energy: -228.072131
where:
bonds (distance) C4'-P energy: -43.556
bonds (distance) P-C4' energy: -40.809
flat angles C4'-P-C4' energy: -52.708
flat angles P-C4'-P energy: -37.801
tors. eta vs tors. theta energy: -53.198
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: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -771.005627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.005627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.005627 (E_RNA)
where:
Base-Base interactions energy: -514.903
where: short stacking energy: -240.757
Base-Backbone interact. energy: -0.794
local terms energy: -255.308201
where:
bonds (distance) C4'-P energy: -44.785
bonds (distance) P-C4' energy: -46.805
flat angles C4'-P-C4' energy: -52.201
flat angles P-C4'-P energy: -40.458
tors. eta vs tors. theta energy: -71.060
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: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -769.370039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.370039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.370039 (E_RNA)
where:
Base-Base interactions energy: -537.558
where: short stacking energy: -220.717
Base-Backbone interact. energy: -0.363
local terms energy: -231.448720
where:
bonds (distance) C4'-P energy: -42.652
bonds (distance) P-C4' energy: -39.368
flat angles C4'-P-C4' energy: -49.599
flat angles P-C4'-P energy: -31.557
tors. eta vs tors. theta energy: -68.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -736.772385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.772385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.772385 (E_RNA)
where:
Base-Base interactions energy: -516.186
where: short stacking energy: -204.992
Base-Backbone interact. energy: -0.375
local terms energy: -220.211866
where:
bonds (distance) C4'-P energy: -33.880
bonds (distance) P-C4' energy: -43.551
flat angles C4'-P-C4' energy: -51.120
flat angles P-C4'-P energy: -29.206
tors. eta vs tors. theta energy: -62.456
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: 7, replica: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -605.046175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.046175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.046175 (E_RNA)
where:
Base-Base interactions energy: -416.162
where: short stacking energy: -176.214
Base-Backbone interact. energy: -0.854
local terms energy: -188.030825
where:
bonds (distance) C4'-P energy: -40.608
bonds (distance) P-C4' energy: -49.860
flat angles C4'-P-C4' energy: -35.664
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -38.740
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: 3
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -469.579704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.579704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.579704 (E_RNA)
where:
Base-Base interactions energy: -279.602
where: short stacking energy: -129.309
Base-Backbone interact. energy: 1.710
local terms energy: -191.688156
where:
bonds (distance) C4'-P energy: -49.107
bonds (distance) P-C4' energy: -46.985
flat angles C4'-P-C4' energy: -43.769
flat angles P-C4'-P energy: -26.704
tors. eta vs tors. theta energy: -25.123
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: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -482.721412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.721412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.721412 (E_RNA)
where:
Base-Base interactions energy: -295.534
where: short stacking energy: -150.841
Base-Backbone interact. energy: -1.913
local terms energy: -185.274422
where:
bonds (distance) C4'-P energy: -42.933
bonds (distance) P-C4' energy: -32.192
flat angles C4'-P-C4' energy: -47.631
flat angles P-C4'-P energy: -28.433
tors. eta vs tors. theta energy: -34.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -209.595583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.595583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.595583 (E_RNA)
where:
Base-Base interactions energy: -72.825
where: short stacking energy: -59.120
Base-Backbone interact. energy: 1.573
local terms energy: -138.343853
where:
bonds (distance) C4'-P energy: -38.133
bonds (distance) P-C4' energy: -35.697
flat angles C4'-P-C4' energy: -38.496
flat angles P-C4'-P energy: -29.277
tors. eta vs tors. theta energy: 3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -872.813374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.813374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.813374 (E_RNA)
where:
Base-Base interactions energy: -595.263
where: short stacking energy: -262.265
Base-Backbone interact. energy: -0.788
local terms energy: -276.762379
where:
bonds (distance) C4'-P energy: -46.628
bonds (distance) P-C4' energy: -51.231
flat angles C4'-P-C4' energy: -58.304
flat angles P-C4'-P energy: -41.615
tors. eta vs tors. theta energy: -78.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -822.122303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.122303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.122303 (E_RNA)
where:
Base-Base interactions energy: -576.467
where: short stacking energy: -246.414
Base-Backbone interact. energy: -0.760
local terms energy: -244.895487
where:
bonds (distance) C4'-P energy: -38.701
bonds (distance) P-C4' energy: -49.141
flat angles C4'-P-C4' energy: -54.301
flat angles P-C4'-P energy: -33.510
tors. eta vs tors. theta energy: -69.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -787.473926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.473926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.473926 (E_RNA)
where:
Base-Base interactions energy: -521.754
where: short stacking energy: -257.409
Base-Backbone interact. energy: -0.031
local terms energy: -265.689226
where:
bonds (distance) C4'-P energy: -50.387
bonds (distance) P-C4' energy: -42.085
flat angles C4'-P-C4' energy: -57.947
flat angles P-C4'-P energy: -38.866
tors. eta vs tors. theta energy: -76.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -788.559671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.559671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.559671 (E_RNA)
where:
Base-Base interactions energy: -563.707
where: short stacking energy: -225.352
Base-Backbone interact. energy: -2.010
local terms energy: -222.842010
where:
bonds (distance) C4'-P energy: -39.632
bonds (distance) P-C4' energy: -40.670
flat angles C4'-P-C4' energy: -55.210
flat angles P-C4'-P energy: -34.034
tors. eta vs tors. theta energy: -53.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -723.576451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.576451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.576451 (E_RNA)
where:
Base-Base interactions energy: -511.519
where: short stacking energy: -212.326
Base-Backbone interact. energy: -0.944
local terms energy: -211.113160
where:
bonds (distance) C4'-P energy: -42.325
bonds (distance) P-C4' energy: -40.688
flat angles C4'-P-C4' energy: -53.929
flat angles P-C4'-P energy: -26.603
tors. eta vs tors. theta energy: -47.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -726.020876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.020876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.020876 (E_RNA)
where:
Base-Base interactions energy: -503.760
where: short stacking energy: -200.385
Base-Backbone interact. energy: 2.123
local terms energy: -224.383509
where:
bonds (distance) C4'-P energy: -40.429
bonds (distance) P-C4' energy: -46.818
flat angles C4'-P-C4' energy: -50.795
flat angles P-C4'-P energy: -30.908
tors. eta vs tors. theta energy: -55.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -594.695056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.695056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.695056 (E_RNA)
where:
Base-Base interactions energy: -401.147
where: short stacking energy: -171.249
Base-Backbone interact. energy: -0.832
local terms energy: -192.716660
where:
bonds (distance) C4'-P energy: -37.731
bonds (distance) P-C4' energy: -39.970
flat angles C4'-P-C4' energy: -44.013
flat angles P-C4'-P energy: -27.660
tors. eta vs tors. theta energy: -43.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -422.608151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.608151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.608151 (E_RNA)
where:
Base-Base interactions energy: -243.402
where: short stacking energy: -109.840
Base-Backbone interact. energy: 0.532
local terms energy: -179.738106
where:
bonds (distance) C4'-P energy: -42.992
bonds (distance) P-C4' energy: -42.867
flat angles C4'-P-C4' energy: -49.235
flat angles P-C4'-P energy: -25.417
tors. eta vs tors. theta energy: -19.227
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: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -467.602047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.602047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.602047 (E_RNA)
where:
Base-Base interactions energy: -296.643
where: short stacking energy: -133.836
Base-Backbone interact. energy: -0.170
local terms energy: -170.788798
where:
bonds (distance) C4'-P energy: -41.924
bonds (distance) P-C4' energy: -44.966
flat angles C4'-P-C4' energy: -36.543
flat angles P-C4'-P energy: -26.165
tors. eta vs tors. theta energy: -21.192
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: 10, replica: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -208.328656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.328656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.328656 (E_RNA)
where:
Base-Base interactions energy: -96.122
where: short stacking energy: -81.318
Base-Backbone interact. energy: -0.901
local terms energy: -111.306101
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -42.648
flat angles C4'-P-C4' energy: -26.379
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -873.204879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.204879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.204879 (E_RNA)
where:
Base-Base interactions energy: -591.247
where: short stacking energy: -276.038
Base-Backbone interact. energy: -0.020
local terms energy: -281.937960
where:
bonds (distance) C4'-P energy: -52.022
bonds (distance) P-C4' energy: -49.850
flat angles C4'-P-C4' energy: -57.240
flat angles P-C4'-P energy: -38.627
tors. eta vs tors. theta energy: -84.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -808.943243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.943243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.943243 (E_RNA)
where:
Base-Base interactions energy: -560.282
where: short stacking energy: -234.830
Base-Backbone interact. energy: -1.616
local terms energy: -247.045587
where:
bonds (distance) C4'-P energy: -51.885
bonds (distance) P-C4' energy: -48.662
flat angles C4'-P-C4' energy: -50.312
flat angles P-C4'-P energy: -32.230
tors. eta vs tors. theta energy: -63.956
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: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -791.033857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.033857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.033857 (E_RNA)
where:
Base-Base interactions energy: -540.118
where: short stacking energy: -244.511
Base-Backbone interact. energy: -1.110
local terms energy: -249.805946
where:
bonds (distance) C4'-P energy: -49.441
bonds (distance) P-C4' energy: -42.748
flat angles C4'-P-C4' energy: -57.903
flat angles P-C4'-P energy: -33.417
tors. eta vs tors. theta energy: -66.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -786.835301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.835301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.835301 (E_RNA)
where:
Base-Base interactions energy: -560.278
where: short stacking energy: -215.477
Base-Backbone interact. energy: -2.737
local terms energy: -223.820800
where:
bonds (distance) C4'-P energy: -44.121
bonds (distance) P-C4' energy: -42.687
flat angles C4'-P-C4' energy: -50.549
flat angles P-C4'-P energy: -31.939
tors. eta vs tors. theta energy: -54.524
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: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -756.316550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.316550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.316550 (E_RNA)
where:
Base-Base interactions energy: -534.121
where: short stacking energy: -214.017
Base-Backbone interact. energy: 0.799
local terms energy: -222.994470
where:
bonds (distance) C4'-P energy: -40.280
bonds (distance) P-C4' energy: -54.756
flat angles C4'-P-C4' energy: -42.235
flat angles P-C4'-P energy: -30.756
tors. eta vs tors. theta energy: -54.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -731.470931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.470931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.470931 (E_RNA)
where:
Base-Base interactions energy: -512.690
where: short stacking energy: -209.075
Base-Backbone interact. energy: -1.801
local terms energy: -216.980336
where:
bonds (distance) C4'-P energy: -37.309
bonds (distance) P-C4' energy: -48.856
flat angles C4'-P-C4' energy: -47.767
flat angles P-C4'-P energy: -21.170
tors. eta vs tors. theta energy: -61.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -627.808990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.808990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.808990 (E_RNA)
where:
Base-Base interactions energy: -431.110
where: short stacking energy: -187.470
Base-Backbone interact. energy: -0.307
local terms energy: -196.391699
where:
bonds (distance) C4'-P energy: -44.105
bonds (distance) P-C4' energy: -38.112
flat angles C4'-P-C4' energy: -46.273
flat angles P-C4'-P energy: -29.594
tors. eta vs tors. theta energy: -38.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -454.233644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.233644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.233644 (E_RNA)
where:
Base-Base interactions energy: -302.130
where: short stacking energy: -144.344
Base-Backbone interact. energy: -0.973
local terms energy: -151.130382
where:
bonds (distance) C4'-P energy: -24.981
bonds (distance) P-C4' energy: -45.907
flat angles C4'-P-C4' energy: -34.711
flat angles P-C4'-P energy: -22.597
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -393.891186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.891186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.891186 (E_RNA)
where:
Base-Base interactions energy: -237.568
where: short stacking energy: -118.247
Base-Backbone interact. energy: -1.128
local terms energy: -155.195995
where:
bonds (distance) C4'-P energy: -37.044
bonds (distance) P-C4' energy: -30.121
flat angles C4'-P-C4' energy: -41.057
flat angles P-C4'-P energy: -29.479
tors. eta vs tors. theta energy: -17.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -223.016375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.016375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.016375 (E_RNA)
where:
Base-Base interactions energy: -83.143
where: short stacking energy: -73.494
Base-Backbone interact. energy: -1.221
local terms energy: -138.653122
where:
bonds (distance) C4'-P energy: -40.483
bonds (distance) P-C4' energy: -57.192
flat angles C4'-P-C4' energy: -32.270
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: 11.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -870.803996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.803996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.803996 (E_RNA)
where:
Base-Base interactions energy: -591.787
where: short stacking energy: -271.935
Base-Backbone interact. energy: 1.203
local terms energy: -280.220361
where:
bonds (distance) C4'-P energy: -47.102
bonds (distance) P-C4' energy: -51.806
flat angles C4'-P-C4' energy: -58.334
flat angles P-C4'-P energy: -40.869
tors. eta vs tors. theta energy: -82.110
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: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -821.499745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.499745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.499745 (E_RNA)
where:
Base-Base interactions energy: -572.600
where: short stacking energy: -234.611
Base-Backbone interact. energy: -2.249
local terms energy: -246.650768
where:
bonds (distance) C4'-P energy: -36.017
bonds (distance) P-C4' energy: -55.635
flat angles C4'-P-C4' energy: -51.612
flat angles P-C4'-P energy: -38.713
tors. eta vs tors. theta energy: -64.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -790.776481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.776481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.776481 (E_RNA)
where:
Base-Base interactions energy: -534.142
where: short stacking energy: -257.645
Base-Backbone interact. energy: -1.036
local terms energy: -255.597774
where:
bonds (distance) C4'-P energy: -46.179
bonds (distance) P-C4' energy: -49.132
flat angles C4'-P-C4' energy: -54.580
flat angles P-C4'-P energy: -34.165
tors. eta vs tors. theta energy: -71.541
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: 414
Temperature: 1.050000
Total energy: -802.725890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.725890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.725890 (E_RNA)
where:
Base-Base interactions energy: -570.297
where: short stacking energy: -227.933
Base-Backbone interact. energy: 0.474
local terms energy: -232.902124
where:
bonds (distance) C4'-P energy: -46.734
bonds (distance) P-C4' energy: -46.162
flat angles C4'-P-C4' energy: -48.333
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: -64.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -768.986326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.986326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.986326 (E_RNA)
where:
Base-Base interactions energy: -542.702
where: short stacking energy: -218.154
Base-Backbone interact. energy: -0.908
local terms energy: -225.376515
where:
bonds (distance) C4'-P energy: -46.114
bonds (distance) P-C4' energy: -38.573
flat angles C4'-P-C4' energy: -52.032
flat angles P-C4'-P energy: -27.851
tors. eta vs tors. theta energy: -60.807
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: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -732.518122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.518122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.518122 (E_RNA)
where:
Base-Base interactions energy: -504.136
where: short stacking energy: -208.233
Base-Backbone interact. energy: -0.933
local terms energy: -227.448146
where:
bonds (distance) C4'-P energy: -36.249
bonds (distance) P-C4' energy: -48.145
flat angles C4'-P-C4' energy: -49.221
flat angles P-C4'-P energy: -37.748
tors. eta vs tors. theta energy: -56.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -629.287013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.287013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.287013 (E_RNA)
where:
Base-Base interactions energy: -435.465
where: short stacking energy: -190.944
Base-Backbone interact. energy: -0.925
local terms energy: -192.897300
where:
bonds (distance) C4'-P energy: -37.149
bonds (distance) P-C4' energy: -36.647
flat angles C4'-P-C4' energy: -43.781
flat angles P-C4'-P energy: -28.444
tors. eta vs tors. theta energy: -46.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -459.653031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.653031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.653031 (E_RNA)
where:
Base-Base interactions energy: -282.348
where: short stacking energy: -135.551
Base-Backbone interact. energy: -1.548
local terms energy: -175.756330
where:
bonds (distance) C4'-P energy: -30.764
bonds (distance) P-C4' energy: -43.843
flat angles C4'-P-C4' energy: -40.995
flat angles P-C4'-P energy: -29.993
tors. eta vs tors. theta energy: -30.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -398.587831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.587831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.587831 (E_RNA)
where:
Base-Base interactions energy: -225.452
where: short stacking energy: -107.737
Base-Backbone interact. energy: -0.393
local terms energy: -172.742802
where:
bonds (distance) C4'-P energy: -42.534
bonds (distance) P-C4' energy: -41.137
flat angles C4'-P-C4' energy: -43.565
flat angles P-C4'-P energy: -27.727
tors. eta vs tors. theta energy: -17.779
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: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -209.452853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.452853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.452853 (E_RNA)
where:
Base-Base interactions energy: -82.640
where: short stacking energy: -71.435
Base-Backbone interact. energy: -1.221
local terms energy: -125.592584
where:
bonds (distance) C4'-P energy: -42.082
bonds (distance) P-C4' energy: -35.878
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -19.337
tors. eta vs tors. theta energy: 3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -874.267839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.267839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.267839 (E_RNA)
where:
Base-Base interactions energy: -599.388
where: short stacking energy: -277.706
Base-Backbone interact. energy: -0.824
local terms energy: -274.056436
where:
bonds (distance) C4'-P energy: -54.534
bonds (distance) P-C4' energy: -41.927
flat angles C4'-P-C4' energy: -55.398
flat angles P-C4'-P energy: -38.372
tors. eta vs tors. theta energy: -83.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -828.080176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.080176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.080176 (E_RNA)
where:
Base-Base interactions energy: -570.718
where: short stacking energy: -256.647
Base-Backbone interact. energy: -0.691
local terms energy: -256.671601
where:
bonds (distance) C4'-P energy: -48.999
bonds (distance) P-C4' energy: -47.396
flat angles C4'-P-C4' energy: -55.497
flat angles P-C4'-P energy: -33.359
tors. eta vs tors. theta energy: -71.421
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: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -806.803998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.803998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.803998 (E_RNA)
where:
Base-Base interactions energy: -573.889
where: short stacking energy: -239.789
Base-Backbone interact. energy: -3.033
local terms energy: -229.882972
where:
bonds (distance) C4'-P energy: -39.900
bonds (distance) P-C4' energy: -49.910
flat angles C4'-P-C4' energy: -38.604
flat angles P-C4'-P energy: -35.189
tors. eta vs tors. theta energy: -66.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -788.907549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.907549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.907549 (E_RNA)
where:
Base-Base interactions energy: -571.576
where: short stacking energy: -222.681
Base-Backbone interact. energy: -0.010
local terms energy: -217.321365
where:
bonds (distance) C4'-P energy: -44.790
bonds (distance) P-C4' energy: -38.076
flat angles C4'-P-C4' energy: -48.858
flat angles P-C4'-P energy: -34.294
tors. eta vs tors. theta energy: -51.304
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: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -784.294134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.294134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.294134 (E_RNA)
where:
Base-Base interactions energy: -549.309
where: short stacking energy: -225.248
Base-Backbone interact. energy: -0.648
local terms energy: -234.336776
where:
bonds (distance) C4'-P energy: -50.905
bonds (distance) P-C4' energy: -47.796
flat angles C4'-P-C4' energy: -47.869
flat angles P-C4'-P energy: -29.580
tors. eta vs tors. theta energy: -58.186
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: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -717.238858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.238858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.238858 (E_RNA)
where:
Base-Base interactions energy: -501.342
where: short stacking energy: -214.839
Base-Backbone interact. energy: -0.829
local terms energy: -215.067885
where:
bonds (distance) C4'-P energy: -43.213
bonds (distance) P-C4' energy: -38.499
flat angles C4'-P-C4' energy: -52.027
flat angles P-C4'-P energy: -27.373
tors. eta vs tors. theta energy: -53.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -617.872435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.872435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.872435 (E_RNA)
where:
Base-Base interactions energy: -419.429
where: short stacking energy: -183.622
Base-Backbone interact. energy: -2.116
local terms energy: -196.327640
where:
bonds (distance) C4'-P energy: -32.672
bonds (distance) P-C4' energy: -44.052
flat angles C4'-P-C4' energy: -48.571
flat angles P-C4'-P energy: -33.007
tors. eta vs tors. theta energy: -38.026
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: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -463.644985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.644985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.644985 (E_RNA)
where:
Base-Base interactions energy: -277.680
where: short stacking energy: -147.133
Base-Backbone interact. energy: 0.059
local terms energy: -186.024049
where:
bonds (distance) C4'-P energy: -42.364
bonds (distance) P-C4' energy: -47.362
flat angles C4'-P-C4' energy: -46.262
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -30.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -420.754425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.754425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.754425 (E_RNA)
where:
Base-Base interactions energy: -239.379
where: short stacking energy: -114.890
Base-Backbone interact. energy: -0.456
local terms energy: -180.920082
where:
bonds (distance) C4'-P energy: -45.086
bonds (distance) P-C4' energy: -51.303
flat angles C4'-P-C4' energy: -43.537
flat angles P-C4'-P energy: -25.963
tors. eta vs tors. theta energy: -15.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -220.939473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.939473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.939473 (E_RNA)
where:
Base-Base interactions energy: -76.117
where: short stacking energy: -62.249
Base-Backbone interact. energy: -1.843
local terms energy: -142.979820
where:
bonds (distance) C4'-P energy: -40.542
bonds (distance) P-C4' energy: -48.099
flat angles C4'-P-C4' energy: -30.874
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -855.745566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.745566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.745566 (E_RNA)
where:
Base-Base interactions energy: -594.465
where: short stacking energy: -276.256
Base-Backbone interact. energy: -0.209
local terms energy: -261.071963
where:
bonds (distance) C4'-P energy: -53.597
bonds (distance) P-C4' energy: -44.100
flat angles C4'-P-C4' energy: -55.628
flat angles P-C4'-P energy: -31.481
tors. eta vs tors. theta energy: -76.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -841.937050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.937050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.937050 (E_RNA)
where:
Base-Base interactions energy: -576.867
where: short stacking energy: -255.546
Base-Backbone interact. energy: -0.132
local terms energy: -264.938038
where:
bonds (distance) C4'-P energy: -43.748
bonds (distance) P-C4' energy: -50.206
flat angles C4'-P-C4' energy: -49.879
flat angles P-C4'-P energy: -37.786
tors. eta vs tors. theta energy: -83.320
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: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -806.279979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.279979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.279979 (E_RNA)
where:
Base-Base interactions energy: -573.335
where: short stacking energy: -228.466
Base-Backbone interact. energy: -1.045
local terms energy: -231.899960
where:
bonds (distance) C4'-P energy: -39.554
bonds (distance) P-C4' energy: -39.965
flat angles C4'-P-C4' energy: -48.103
flat angles P-C4'-P energy: -41.792
tors. eta vs tors. theta energy: -62.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -818.972733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.972733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.972733 (E_RNA)
where:
Base-Base interactions energy: -594.135
where: short stacking energy: -220.203
Base-Backbone interact. energy: -1.134
local terms energy: -223.703575
where:
bonds (distance) C4'-P energy: -40.615
bonds (distance) P-C4' energy: -59.315
flat angles C4'-P-C4' energy: -49.397
flat angles P-C4'-P energy: -25.060
tors. eta vs tors. theta energy: -49.316
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: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -739.037249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.037249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.037249 (E_RNA)
where:
Base-Base interactions energy: -520.502
where: short stacking energy: -208.148
Base-Backbone interact. energy: -2.556
local terms energy: -215.978636
where:
bonds (distance) C4'-P energy: -31.944
bonds (distance) P-C4' energy: -44.891
flat angles C4'-P-C4' energy: -50.272
flat angles P-C4'-P energy: -34.344
tors. eta vs tors. theta energy: -54.527
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: 6, replica: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -694.987321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.987321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.987321 (E_RNA)
where:
Base-Base interactions energy: -479.986
where: short stacking energy: -184.503
Base-Backbone interact. energy: 3.159
local terms energy: -218.159794
where:
bonds (distance) C4'-P energy: -47.872
bonds (distance) P-C4' energy: -39.355
flat angles C4'-P-C4' energy: -44.518
flat angles P-C4'-P energy: -34.200
tors. eta vs tors. theta energy: -52.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -605.440754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.440754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.440754 (E_RNA)
where:
Base-Base interactions energy: -419.339
where: short stacking energy: -182.576
Base-Backbone interact. energy: -0.706
local terms energy: -185.394997
where:
bonds (distance) C4'-P energy: -38.728
bonds (distance) P-C4' energy: -40.693
flat angles C4'-P-C4' energy: -41.539
flat angles P-C4'-P energy: -26.795
tors. eta vs tors. theta energy: -37.641
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: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -467.056602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.056602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.056602 (E_RNA)
where:
Base-Base interactions energy: -296.111
where: short stacking energy: -145.450
Base-Backbone interact. energy: 3.832
local terms energy: -174.777632
where:
bonds (distance) C4'-P energy: -36.385
bonds (distance) P-C4' energy: -44.178
flat angles C4'-P-C4' energy: -41.669
flat angles P-C4'-P energy: -26.280
tors. eta vs tors. theta energy: -26.265
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: 9, replica: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -332.817403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.817403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.817403 (E_RNA)
where:
Base-Base interactions energy: -167.241
where: short stacking energy: -100.018
Base-Backbone interact. energy: -0.199
local terms energy: -165.376922
where:
bonds (distance) C4'-P energy: -46.993
bonds (distance) P-C4' energy: -39.135
flat angles C4'-P-C4' energy: -40.387
flat angles P-C4'-P energy: -33.441
tors. eta vs tors. theta energy: -5.420
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: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -255.300570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.300570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.300570 (E_RNA)
where:
Base-Base interactions energy: -129.844
where: short stacking energy: -91.524
Base-Backbone interact. energy: 6.592
local terms energy: -132.048379
where:
bonds (distance) C4'-P energy: -38.179
bonds (distance) P-C4' energy: -49.901
flat angles C4'-P-C4' energy: -25.547
flat angles P-C4'-P energy: -17.552
tors. eta vs tors. theta energy: -0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -845.729536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.729536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.729536 (E_RNA)
where:
Base-Base interactions energy: -576.412
where: short stacking energy: -263.167
Base-Backbone interact. energy: -0.322
local terms energy: -268.996472
where:
bonds (distance) C4'-P energy: -47.720
bonds (distance) P-C4' energy: -47.685
flat angles C4'-P-C4' energy: -58.145
flat angles P-C4'-P energy: -39.579
tors. eta vs tors. theta energy: -75.869
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: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -830.944043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.944043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.944043 (E_RNA)
where:
Base-Base interactions energy: -577.000
where: short stacking energy: -231.627
Base-Backbone interact. energy: -2.861
local terms energy: -251.083222
where:
bonds (distance) C4'-P energy: -48.733
bonds (distance) P-C4' energy: -49.421
flat angles C4'-P-C4' energy: -48.205
flat angles P-C4'-P energy: -41.033
tors. eta vs tors. theta energy: -63.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -810.413147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.413147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.413147 (E_RNA)
where:
Base-Base interactions energy: -546.118
where: short stacking energy: -245.577
Base-Backbone interact. energy: -1.839
local terms energy: -262.456660
where:
bonds (distance) C4'-P energy: -50.659
bonds (distance) P-C4' energy: -44.072
flat angles C4'-P-C4' energy: -57.063
flat angles P-C4'-P energy: -37.172
tors. eta vs tors. theta energy: -73.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -811.726828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.726828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.726828 (E_RNA)
where:
Base-Base interactions energy: -603.384
where: short stacking energy: -225.682
Base-Backbone interact. energy: 1.255
local terms energy: -209.597862
where:
bonds (distance) C4'-P energy: -39.346
bonds (distance) P-C4' energy: -36.762
flat angles C4'-P-C4' energy: -55.370
flat angles P-C4'-P energy: -24.613
tors. eta vs tors. theta energy: -53.507
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: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -768.948808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.948808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.948808 (E_RNA)
where:
Base-Base interactions energy: -535.725
where: short stacking energy: -232.986
Base-Backbone interact. energy: -0.862
local terms energy: -232.361791
where:
bonds (distance) C4'-P energy: -34.007
bonds (distance) P-C4' energy: -46.685
flat angles C4'-P-C4' energy: -51.791
flat angles P-C4'-P energy: -35.195
tors. eta vs tors. theta energy: -64.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -660.633257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.633257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.633257 (E_RNA)
where:
Base-Base interactions energy: -434.655
where: short stacking energy: -195.839
Base-Backbone interact. energy: -0.694
local terms energy: -225.283952
where:
bonds (distance) C4'-P energy: -44.293
bonds (distance) P-C4' energy: -36.213
flat angles C4'-P-C4' energy: -47.736
flat angles P-C4'-P energy: -40.732
tors. eta vs tors. theta energy: -56.310
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: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -671.917302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.917302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.917302 (E_RNA)
where:
Base-Base interactions energy: -464.456
where: short stacking energy: -195.947
Base-Backbone interact. energy: -1.882
local terms energy: -205.579439
where:
bonds (distance) C4'-P energy: -39.679
bonds (distance) P-C4' energy: -33.707
flat angles C4'-P-C4' energy: -46.033
flat angles P-C4'-P energy: -29.306
tors. eta vs tors. theta energy: -56.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -379.755237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.755237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.755237 (E_RNA)
where:
Base-Base interactions energy: -205.744
where: short stacking energy: -123.058
Base-Backbone interact. energy: 1.858
local terms energy: -175.868631
where:
bonds (distance) C4'-P energy: -46.274
bonds (distance) P-C4' energy: -34.978
flat angles C4'-P-C4' energy: -41.397
flat angles P-C4'-P energy: -28.117
tors. eta vs tors. theta energy: -25.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -403.025711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.025711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.025711 (E_RNA)
where:
Base-Base interactions energy: -242.059
where: short stacking energy: -143.919
Base-Backbone interact. energy: -0.882
local terms energy: -160.084548
where:
bonds (distance) C4'-P energy: -36.148
bonds (distance) P-C4' energy: -41.411
flat angles C4'-P-C4' energy: -44.473
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -25.258
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: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -252.762325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.762325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.762325 (E_RNA)
where:
Base-Base interactions energy: -121.853
where: short stacking energy: -81.074
Base-Backbone interact. energy: 1.914
local terms energy: -132.824028
where:
bonds (distance) C4'-P energy: -25.549
bonds (distance) P-C4' energy: -46.081
flat angles C4'-P-C4' energy: -41.245
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -856.708557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.708557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.708557 (E_RNA)
where:
Base-Base interactions energy: -577.598
where: short stacking energy: -264.696
Base-Backbone interact. energy: 0.068
local terms energy: -279.177969
where:
bonds (distance) C4'-P energy: -49.758
bonds (distance) P-C4' energy: -56.626
flat angles C4'-P-C4' energy: -58.343
flat angles P-C4'-P energy: -36.972
tors. eta vs tors. theta energy: -77.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -818.520349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.520349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.520349 (E_RNA)
where:
Base-Base interactions energy: -561.028
where: short stacking energy: -235.718
Base-Backbone interact. energy: -1.381
local terms energy: -256.111289
where:
bonds (distance) C4'-P energy: -44.051
bonds (distance) P-C4' energy: -47.219
flat angles C4'-P-C4' energy: -54.203
flat angles P-C4'-P energy: -39.764
tors. eta vs tors. theta energy: -70.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -795.415232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.415232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.415232 (E_RNA)
where:
Base-Base interactions energy: -585.159
where: short stacking energy: -218.682
Base-Backbone interact. energy: -0.510
local terms energy: -209.746227
where:
bonds (distance) C4'-P energy: -32.683
bonds (distance) P-C4' energy: -46.791
flat angles C4'-P-C4' energy: -47.944
flat angles P-C4'-P energy: -33.604
tors. eta vs tors. theta energy: -48.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -809.718078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.718078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.718078 (E_RNA)
where:
Base-Base interactions energy: -544.697
where: short stacking energy: -254.797
Base-Backbone interact. energy: -0.431
local terms energy: -264.590073
where:
bonds (distance) C4'-P energy: -43.266
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -50.184
flat angles P-C4'-P energy: -42.815
tors. eta vs tors. theta energy: -76.844
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: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -746.797966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.797966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.797966 (E_RNA)
where:
Base-Base interactions energy: -521.836
where: short stacking energy: -231.657
Base-Backbone interact. energy: 0.704
local terms energy: -225.665704
where:
bonds (distance) C4'-P energy: -37.280
bonds (distance) P-C4' energy: -44.257
flat angles C4'-P-C4' energy: -54.534
flat angles P-C4'-P energy: -41.109
tors. eta vs tors. theta energy: -48.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -657.400175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.400175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.400175 (E_RNA)
where:
Base-Base interactions energy: -444.005
where: short stacking energy: -198.174
Base-Backbone interact. energy: -0.983
local terms energy: -212.411753
where:
bonds (distance) C4'-P energy: -46.825
bonds (distance) P-C4' energy: -37.364
flat angles C4'-P-C4' energy: -47.891
flat angles P-C4'-P energy: -32.244
tors. eta vs tors. theta energy: -48.088
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: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -671.332728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.332728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.332728 (E_RNA)
where:
Base-Base interactions energy: -455.412
where: short stacking energy: -202.372
Base-Backbone interact. energy: -0.659
local terms energy: -215.261303
where:
bonds (distance) C4'-P energy: -47.448
bonds (distance) P-C4' energy: -36.739
flat angles C4'-P-C4' energy: -52.037
flat angles P-C4'-P energy: -26.174
tors. eta vs tors. theta energy: -52.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -353.644819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.644819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.644819 (E_RNA)
where:
Base-Base interactions energy: -213.539
where: short stacking energy: -112.295
Base-Backbone interact. energy: -0.999
local terms energy: -139.106745
where:
bonds (distance) C4'-P energy: -36.616
bonds (distance) P-C4' energy: -34.696
flat angles C4'-P-C4' energy: -29.998
flat angles P-C4'-P energy: -23.538
tors. eta vs tors. theta energy: -14.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -395.815934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.815934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.815934 (E_RNA)
where:
Base-Base interactions energy: -235.060
where: short stacking energy: -122.486
Base-Backbone interact. energy: 0.853
local terms energy: -161.608843
where:
bonds (distance) C4'-P energy: -45.579
bonds (distance) P-C4' energy: -36.829
flat angles C4'-P-C4' energy: -33.783
flat angles P-C4'-P energy: -29.007
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -237.825846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.825846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.825846 (E_RNA)
where:
Base-Base interactions energy: -103.309
where: short stacking energy: -87.811
Base-Backbone interact. energy: 0.774
local terms energy: -135.290307
where:
bonds (distance) C4'-P energy: -35.282
bonds (distance) P-C4' energy: -42.101
flat angles C4'-P-C4' energy: -31.680
flat angles P-C4'-P energy: -24.139
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -843.379883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.379883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.379883 (E_RNA)
where:
Base-Base interactions energy: -580.878
where: short stacking energy: -267.581
Base-Backbone interact. energy: -0.461
local terms energy: -262.040088
where:
bonds (distance) C4'-P energy: -46.284
bonds (distance) P-C4' energy: -51.807
flat angles C4'-P-C4' energy: -53.396
flat angles P-C4'-P energy: -37.273
tors. eta vs tors. theta energy: -73.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -820.597191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.597191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.597191 (E_RNA)
where:
Base-Base interactions energy: -571.259
where: short stacking energy: -229.849
Base-Backbone interact. energy: -2.178
local terms energy: -247.159905
where:
bonds (distance) C4'-P energy: -46.341
bonds (distance) P-C4' energy: -51.768
flat angles C4'-P-C4' energy: -40.413
flat angles P-C4'-P energy: -43.596
tors. eta vs tors. theta energy: -65.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -820.387647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.387647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.387647 (E_RNA)
where:
Base-Base interactions energy: -585.474
where: short stacking energy: -209.186
Base-Backbone interact. energy: -1.655
local terms energy: -233.258207
where:
bonds (distance) C4'-P energy: -42.130
bonds (distance) P-C4' energy: -49.609
flat angles C4'-P-C4' energy: -54.332
flat angles P-C4'-P energy: -39.342
tors. eta vs tors. theta energy: -47.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -804.022721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.022721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.022721 (E_RNA)
where:
Base-Base interactions energy: -552.702
where: short stacking energy: -229.887
Base-Backbone interact. energy: -0.763
local terms energy: -250.558030
where:
bonds (distance) C4'-P energy: -41.588
bonds (distance) P-C4' energy: -45.317
flat angles C4'-P-C4' energy: -55.252
flat angles P-C4'-P energy: -38.860
tors. eta vs tors. theta energy: -69.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -762.273294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.273294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.273294 (E_RNA)
where:
Base-Base interactions energy: -519.247
where: short stacking energy: -225.895
Base-Backbone interact. energy: -0.136
local terms energy: -242.890735
where:
bonds (distance) C4'-P energy: -46.909
bonds (distance) P-C4' energy: -51.543
flat angles C4'-P-C4' energy: -50.578
flat angles P-C4'-P energy: -38.593
tors. eta vs tors. theta energy: -55.269
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: 6
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -690.163462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.163462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.163462 (E_RNA)
where:
Base-Base interactions energy: -477.987
where: short stacking energy: -206.828
Base-Backbone interact. energy: -1.973
local terms energy: -210.203401
where:
bonds (distance) C4'-P energy: -37.573
bonds (distance) P-C4' energy: -37.868
flat angles C4'-P-C4' energy: -49.995
flat angles P-C4'-P energy: -33.227
tors. eta vs tors. theta energy: -51.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -647.580386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.580386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.580386 (E_RNA)
where:
Base-Base interactions energy: -426.904
where: short stacking energy: -194.871
Base-Backbone interact. energy: -0.900
local terms energy: -219.776560
where:
bonds (distance) C4'-P energy: -49.634
bonds (distance) P-C4' energy: -48.620
flat angles C4'-P-C4' energy: -54.167
flat angles P-C4'-P energy: -22.678
tors. eta vs tors. theta energy: -44.678
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: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -393.547612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.547612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.547612 (E_RNA)
where:
Base-Base interactions energy: -225.311
where: short stacking energy: -129.331
Base-Backbone interact. energy: -1.054
local terms energy: -167.182780
where:
bonds (distance) C4'-P energy: -37.120
bonds (distance) P-C4' energy: -38.599
flat angles C4'-P-C4' energy: -50.743
flat angles P-C4'-P energy: -21.925
tors. eta vs tors. theta energy: -18.795
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: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -335.309279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.309279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.309279 (E_RNA)
where:
Base-Base interactions energy: -187.395
where: short stacking energy: -106.471
Base-Backbone interact. energy: 0.488
local terms energy: -148.402530
where:
bonds (distance) C4'-P energy: -42.052
bonds (distance) P-C4' energy: -44.102
flat angles C4'-P-C4' energy: -31.793
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -9.296
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: 10, replica: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -249.693024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.693024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.693024 (E_RNA)
where:
Base-Base interactions energy: -110.592
where: short stacking energy: -60.645
Base-Backbone interact. energy: 0.197
local terms energy: -139.298034
where:
bonds (distance) C4'-P energy: -39.435
bonds (distance) P-C4' energy: -37.944
flat angles C4'-P-C4' energy: -40.785
flat angles P-C4'-P energy: -24.110
tors. eta vs tors. theta energy: 2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -834.063857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.063857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.063857 (E_RNA)
where:
Base-Base interactions energy: -570.243
where: short stacking energy: -257.940
Base-Backbone interact. energy: 0.365
local terms energy: -264.186396
where:
bonds (distance) C4'-P energy: -49.368
bonds (distance) P-C4' energy: -50.097
flat angles C4'-P-C4' energy: -58.932
flat angles P-C4'-P energy: -33.419
tors. eta vs tors. theta energy: -72.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -820.987697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.987697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.987697 (E_RNA)
where:
Base-Base interactions energy: -577.941
where: short stacking energy: -222.711
Base-Backbone interact. energy: -2.011
local terms energy: -241.035689
where:
bonds (distance) C4'-P energy: -43.145
bonds (distance) P-C4' energy: -48.545
flat angles C4'-P-C4' energy: -49.334
flat angles P-C4'-P energy: -37.256
tors. eta vs tors. theta energy: -62.755
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: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -792.293981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.293981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.293981 (E_RNA)
where:
Base-Base interactions energy: -553.871
where: short stacking energy: -243.548
Base-Backbone interact. energy: -0.407
local terms energy: -238.015119
where:
bonds (distance) C4'-P energy: -47.557
bonds (distance) P-C4' energy: -35.272
flat angles C4'-P-C4' energy: -55.028
flat angles P-C4'-P energy: -36.164
tors. eta vs tors. theta energy: -63.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -808.757937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.757937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.757937 (E_RNA)
where:
Base-Base interactions energy: -592.820
where: short stacking energy: -208.229
Base-Backbone interact. energy: -2.175
local terms energy: -213.762199
where:
bonds (distance) C4'-P energy: -46.266
bonds (distance) P-C4' energy: -38.082
flat angles C4'-P-C4' energy: -42.412
flat angles P-C4'-P energy: -31.115
tors. eta vs tors. theta energy: -55.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -752.861494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.861494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.861494 (E_RNA)
where:
Base-Base interactions energy: -546.193
where: short stacking energy: -201.737
Base-Backbone interact. energy: -0.545
local terms energy: -206.123528
where:
bonds (distance) C4'-P energy: -38.080
bonds (distance) P-C4' energy: -40.384
flat angles C4'-P-C4' energy: -47.499
flat angles P-C4'-P energy: -26.944
tors. eta vs tors. theta energy: -53.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -703.862526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.862526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.862526 (E_RNA)
where:
Base-Base interactions energy: -487.337
where: short stacking energy: -207.470
Base-Backbone interact. energy: -0.518
local terms energy: -216.007316
where:
bonds (distance) C4'-P energy: -48.980
bonds (distance) P-C4' energy: -31.022
flat angles C4'-P-C4' energy: -44.616
flat angles P-C4'-P energy: -28.932
tors. eta vs tors. theta energy: -62.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -614.861611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.861611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.861611 (E_RNA)
where:
Base-Base interactions energy: -424.248
where: short stacking energy: -180.155
Base-Backbone interact. energy: -0.258
local terms energy: -190.355910
where:
bonds (distance) C4'-P energy: -30.933
bonds (distance) P-C4' energy: -35.851
flat angles C4'-P-C4' energy: -49.596
flat angles P-C4'-P energy: -32.505
tors. eta vs tors. theta energy: -41.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -404.321120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.321120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.321120 (E_RNA)
where:
Base-Base interactions energy: -238.659
where: short stacking energy: -137.506
Base-Backbone interact. energy: -0.195
local terms energy: -165.467264
where:
bonds (distance) C4'-P energy: -44.189
bonds (distance) P-C4' energy: -46.025
flat angles C4'-P-C4' energy: -36.198
flat angles P-C4'-P energy: -23.105
tors. eta vs tors. theta energy: -15.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -329.220665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.220665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.220665 (E_RNA)
where:
Base-Base interactions energy: -163.063
where: short stacking energy: -102.419
Base-Backbone interact. energy: 0.869
local terms energy: -167.026853
where:
bonds (distance) C4'-P energy: -48.961
bonds (distance) P-C4' energy: -46.055
flat angles C4'-P-C4' energy: -38.531
flat angles P-C4'-P energy: -27.586
tors. eta vs tors. theta energy: -5.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -228.901754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.901754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.901754 (E_RNA)
where:
Base-Base interactions energy: -100.176
where: short stacking energy: -80.302
Base-Backbone interact. energy: -1.394
local terms energy: -127.331421
where:
bonds (distance) C4'-P energy: -40.585
bonds (distance) P-C4' energy: -46.484
flat angles C4'-P-C4' energy: -27.212
flat angles P-C4'-P energy: -20.899
tors. eta vs tors. theta energy: 7.848
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: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -846.744518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.744518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.744518 (E_RNA)
where:
Base-Base interactions energy: -582.283
where: short stacking energy: -263.160
Base-Backbone interact. energy: -0.733
local terms energy: -263.728298
where:
bonds (distance) C4'-P energy: -41.046
bonds (distance) P-C4' energy: -48.067
flat angles C4'-P-C4' energy: -56.997
flat angles P-C4'-P energy: -39.839
tors. eta vs tors. theta energy: -77.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -804.215854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.215854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.215854 (E_RNA)
where:
Base-Base interactions energy: -563.494
where: short stacking energy: -222.823
Base-Backbone interact. energy: -0.089
local terms energy: -240.632831
where:
bonds (distance) C4'-P energy: -44.795
bonds (distance) P-C4' energy: -46.600
flat angles C4'-P-C4' energy: -53.033
flat angles P-C4'-P energy: -30.137
tors. eta vs tors. theta energy: -66.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -798.193040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.193040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.193040 (E_RNA)
where:
Base-Base interactions energy: -537.913
where: short stacking energy: -246.955
Base-Backbone interact. energy: -1.567
local terms energy: -258.713406
where:
bonds (distance) C4'-P energy: -50.563
bonds (distance) P-C4' energy: -41.693
flat angles C4'-P-C4' energy: -54.999
flat angles P-C4'-P energy: -38.465
tors. eta vs tors. theta energy: -72.994
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: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -807.329598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.329598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.329598 (E_RNA)
where:
Base-Base interactions energy: -584.608
where: short stacking energy: -224.861
Base-Backbone interact. energy: -0.497
local terms energy: -222.224330
where:
bonds (distance) C4'-P energy: -39.933
bonds (distance) P-C4' energy: -48.694
flat angles C4'-P-C4' energy: -45.903
flat angles P-C4'-P energy: -30.902
tors. eta vs tors. theta energy: -56.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -768.941369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.941369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.941369 (E_RNA)
where:
Base-Base interactions energy: -531.466
where: short stacking energy: -225.993
Base-Backbone interact. energy: 0.109
local terms energy: -237.584712
where:
bonds (distance) C4'-P energy: -43.907
bonds (distance) P-C4' energy: -44.843
flat angles C4'-P-C4' energy: -52.095
flat angles P-C4'-P energy: -35.941
tors. eta vs tors. theta energy: -60.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -738.232859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.232859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.232859 (E_RNA)
where:
Base-Base interactions energy: -529.326
where: short stacking energy: -206.657
Base-Backbone interact. energy: -1.184
local terms energy: -207.723300
where:
bonds (distance) C4'-P energy: -38.142
bonds (distance) P-C4' energy: -45.667
flat angles C4'-P-C4' energy: -36.122
flat angles P-C4'-P energy: -34.170
tors. eta vs tors. theta energy: -53.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -630.993400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.993400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.993400 (E_RNA)
where:
Base-Base interactions energy: -414.736
where: short stacking energy: -190.109
Base-Backbone interact. energy: -1.547
local terms energy: -214.710543
where:
bonds (distance) C4'-P energy: -44.453
bonds (distance) P-C4' energy: -39.576
flat angles C4'-P-C4' energy: -52.891
flat angles P-C4'-P energy: -28.728
tors. eta vs tors. theta energy: -49.063
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: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -394.774319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.774319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.774319 (E_RNA)
where:
Base-Base interactions energy: -229.312
where: short stacking energy: -134.532
Base-Backbone interact. energy: -0.215
local terms energy: -165.246943
where:
bonds (distance) C4'-P energy: -41.577
bonds (distance) P-C4' energy: -45.229
flat angles C4'-P-C4' energy: -38.653
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -26.752
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: 3
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -342.662358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.662358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.662358 (E_RNA)
where:
Base-Base interactions energy: -190.164
where: short stacking energy: -98.199
Base-Backbone interact. energy: -1.704
local terms energy: -150.794031
where:
bonds (distance) C4'-P energy: -44.286
bonds (distance) P-C4' energy: -34.023
flat angles C4'-P-C4' energy: -37.087
flat angles P-C4'-P energy: -25.382
tors. eta vs tors. theta energy: -10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -230.242326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.242326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.242326 (E_RNA)
where:
Base-Base interactions energy: -97.719
where: short stacking energy: -70.002
Base-Backbone interact. energy: -1.036
local terms energy: -131.487139
where:
bonds (distance) C4'-P energy: -46.403
bonds (distance) P-C4' energy: -39.085
flat angles C4'-P-C4' energy: -31.824
flat angles P-C4'-P energy: -17.279
tors. eta vs tors. theta energy: 3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -843.521145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.521145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.521145 (E_RNA)
where:
Base-Base interactions energy: -569.842
where: short stacking energy: -267.391
Base-Backbone interact. energy: -0.152
local terms energy: -273.526808
where:
bonds (distance) C4'-P energy: -45.870
bonds (distance) P-C4' energy: -48.368
flat angles C4'-P-C4' energy: -57.452
flat angles P-C4'-P energy: -40.635
tors. eta vs tors. theta energy: -81.202
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: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -830.505937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.505937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.505937 (E_RNA)
where:
Base-Base interactions energy: -575.408
where: short stacking energy: -246.346
Base-Backbone interact. energy: -0.744
local terms energy: -254.354161
where:
bonds (distance) C4'-P energy: -48.806
bonds (distance) P-C4' energy: -55.708
flat angles C4'-P-C4' energy: -47.843
flat angles P-C4'-P energy: -36.299
tors. eta vs tors. theta energy: -65.698
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: 3, replica: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -835.775963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.775963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.775963 (E_RNA)
where:
Base-Base interactions energy: -607.962
where: short stacking energy: -230.431
Base-Backbone interact. energy: -1.738
local terms energy: -226.075189
where:
bonds (distance) C4'-P energy: -35.292
bonds (distance) P-C4' energy: -53.159
flat angles C4'-P-C4' energy: -49.175
flat angles P-C4'-P energy: -30.859
tors. eta vs tors. theta energy: -57.590
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: 4, replica: 2
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -795.084992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.084992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.084992 (E_RNA)
where:
Base-Base interactions energy: -537.182
where: short stacking energy: -250.165
Base-Backbone interact. energy: -1.269
local terms energy: -256.633228
where:
bonds (distance) C4'-P energy: -47.083
bonds (distance) P-C4' energy: -46.425
flat angles C4'-P-C4' energy: -47.487
flat angles P-C4'-P energy: -39.860
tors. eta vs tors. theta energy: -75.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -744.619574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.619574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.619574 (E_RNA)
where:
Base-Base interactions energy: -526.519
where: short stacking energy: -215.468
Base-Backbone interact. energy: -2.070
local terms energy: -216.030209
where:
bonds (distance) C4'-P energy: -42.581
bonds (distance) P-C4' energy: -45.576
flat angles C4'-P-C4' energy: -49.102
flat angles P-C4'-P energy: -21.656
tors. eta vs tors. theta energy: -57.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -754.002650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.002650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.002650 (E_RNA)
where:
Base-Base interactions energy: -519.771
where: short stacking energy: -233.918
Base-Backbone interact. energy: 0.949
local terms energy: -235.181269
where:
bonds (distance) C4'-P energy: -48.063
bonds (distance) P-C4' energy: -40.260
flat angles C4'-P-C4' energy: -50.055
flat angles P-C4'-P energy: -31.448
tors. eta vs tors. theta energy: -65.356
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: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -641.028407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.028407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.028407 (E_RNA)
where:
Base-Base interactions energy: -419.306
where: short stacking energy: -194.203
Base-Backbone interact. energy: -0.371
local terms energy: -221.352233
where:
bonds (distance) C4'-P energy: -48.085
bonds (distance) P-C4' energy: -47.450
flat angles C4'-P-C4' energy: -48.059
flat angles P-C4'-P energy: -28.289
tors. eta vs tors. theta energy: -49.469
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: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -413.825623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.825623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.825623 (E_RNA)
where:
Base-Base interactions energy: -234.007
where: short stacking energy: -135.215
Base-Backbone interact. energy: -1.248
local terms energy: -178.570047
where:
bonds (distance) C4'-P energy: -35.328
bonds (distance) P-C4' energy: -45.311
flat angles C4'-P-C4' energy: -36.033
flat angles P-C4'-P energy: -35.505
tors. eta vs tors. theta energy: -26.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -317.390312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.390312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.390312 (E_RNA)
where:
Base-Base interactions energy: -171.720
where: short stacking energy: -85.453
Base-Backbone interact. energy: 1.211
local terms energy: -146.881389
where:
bonds (distance) C4'-P energy: -36.709
bonds (distance) P-C4' energy: -47.472
flat angles C4'-P-C4' energy: -35.667
flat angles P-C4'-P energy: -17.263
tors. eta vs tors. theta energy: -9.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -265.134823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.134823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.134823 (E_RNA)
where:
Base-Base interactions energy: -142.797
where: short stacking energy: -66.265
Base-Backbone interact. energy: -2.496
local terms energy: -119.841962
where:
bonds (distance) C4'-P energy: -36.688
bonds (distance) P-C4' energy: -51.486
flat angles C4'-P-C4' energy: -31.425
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: 14.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -867.982778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.982778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.982778 (E_RNA)
where:
Base-Base interactions energy: -603.590
where: short stacking energy: -274.854
Base-Backbone interact. energy: -0.731
local terms energy: -263.662039
where:
bonds (distance) C4'-P energy: -43.410
bonds (distance) P-C4' energy: -44.264
flat angles C4'-P-C4' energy: -58.071
flat angles P-C4'-P energy: -39.134
tors. eta vs tors. theta energy: -78.783
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: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -858.873955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.873955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.873955 (E_RNA)
where:
Base-Base interactions energy: -628.422
where: short stacking energy: -244.163
Base-Backbone interact. energy: -2.151
local terms energy: -228.300579
where:
bonds (distance) C4'-P energy: -40.176
bonds (distance) P-C4' energy: -49.030
flat angles C4'-P-C4' energy: -48.002
flat angles P-C4'-P energy: -35.332
tors. eta vs tors. theta energy: -55.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -823.274886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.274886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.274886 (E_RNA)
where:
Base-Base interactions energy: -583.106
where: short stacking energy: -243.597
Base-Backbone interact. energy: -0.867
local terms energy: -239.301520
where:
bonds (distance) C4'-P energy: -35.956
bonds (distance) P-C4' energy: -51.179
flat angles C4'-P-C4' energy: -49.394
flat angles P-C4'-P energy: -33.683
tors. eta vs tors. theta energy: -69.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -772.718655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.718655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.718655 (E_RNA)
where:
Base-Base interactions energy: -521.849
where: short stacking energy: -245.338
Base-Backbone interact. energy: 0.606
local terms energy: -251.475664
where:
bonds (distance) C4'-P energy: -43.623
bonds (distance) P-C4' energy: -44.753
flat angles C4'-P-C4' energy: -50.351
flat angles P-C4'-P energy: -41.712
tors. eta vs tors. theta energy: -71.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -732.692494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.692494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.692494 (E_RNA)
where:
Base-Base interactions energy: -518.362
where: short stacking energy: -223.395
Base-Backbone interact. energy: 1.230
local terms energy: -215.560524
where:
bonds (distance) C4'-P energy: -39.531
bonds (distance) P-C4' energy: -40.921
flat angles C4'-P-C4' energy: -46.750
flat angles P-C4'-P energy: -33.717
tors. eta vs tors. theta energy: -54.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -750.510610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.510610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.510610 (E_RNA)
where:
Base-Base interactions energy: -508.525
where: short stacking energy: -221.642
Base-Backbone interact. energy: -1.178
local terms energy: -240.807057
where:
bonds (distance) C4'-P energy: -42.183
bonds (distance) P-C4' energy: -50.835
flat angles C4'-P-C4' energy: -49.595
flat angles P-C4'-P energy: -35.083
tors. eta vs tors. theta energy: -63.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -628.049840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.049840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.049840 (E_RNA)
where:
Base-Base interactions energy: -415.254
where: short stacking energy: -191.603
Base-Backbone interact. energy: -0.836
local terms energy: -211.960295
where:
bonds (distance) C4'-P energy: -34.939
bonds (distance) P-C4' energy: -49.408
flat angles C4'-P-C4' energy: -42.110
flat angles P-C4'-P energy: -32.915
tors. eta vs tors. theta energy: -52.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -458.103211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.103211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.103211 (E_RNA)
where:
Base-Base interactions energy: -294.460
where: short stacking energy: -132.443
Base-Backbone interact. energy: -1.528
local terms energy: -162.115307
where:
bonds (distance) C4'-P energy: -42.753
bonds (distance) P-C4' energy: -44.592
flat angles C4'-P-C4' energy: -32.967
flat angles P-C4'-P energy: -18.882
tors. eta vs tors. theta energy: -22.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -356.533793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.533793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.533793 (E_RNA)
where:
Base-Base interactions energy: -207.287
where: short stacking energy: -120.655
Base-Backbone interact. energy: -0.412
local terms energy: -148.834734
where:
bonds (distance) C4'-P energy: -40.564
bonds (distance) P-C4' energy: -33.574
flat angles C4'-P-C4' energy: -39.031
flat angles P-C4'-P energy: -22.939
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -285.470094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.470094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.470094 (E_RNA)
where:
Base-Base interactions energy: -127.085
where: short stacking energy: -61.076
Base-Backbone interact. energy: 0.626
local terms energy: -159.010925
where:
bonds (distance) C4'-P energy: -45.882
bonds (distance) P-C4' energy: -49.731
flat angles C4'-P-C4' energy: -27.430
flat angles P-C4'-P energy: -33.265
tors. eta vs tors. theta energy: -2.703
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: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -852.676845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.676845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.676845 (E_RNA)
where:
Base-Base interactions energy: -582.971
where: short stacking energy: -264.017
Base-Backbone interact. energy: 0.451
local terms energy: -270.157293
where:
bonds (distance) C4'-P energy: -43.283
bonds (distance) P-C4' energy: -53.452
flat angles C4'-P-C4' energy: -56.412
flat angles P-C4'-P energy: -40.197
tors. eta vs tors. theta energy: -76.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -853.886544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.886544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.886544 (E_RNA)
where:
Base-Base interactions energy: -613.627
where: short stacking energy: -228.586
Base-Backbone interact. energy: -0.665
local terms energy: -239.595341
where:
bonds (distance) C4'-P energy: -48.742
bonds (distance) P-C4' energy: -48.702
flat angles C4'-P-C4' energy: -44.227
flat angles P-C4'-P energy: -38.160
tors. eta vs tors. theta energy: -59.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -791.420079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.420079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.420079 (E_RNA)
where:
Base-Base interactions energy: -530.484
where: short stacking energy: -247.151
Base-Backbone interact. energy: -1.094
local terms energy: -259.841501
where:
bonds (distance) C4'-P energy: -47.895
bonds (distance) P-C4' energy: -43.450
flat angles C4'-P-C4' energy: -55.731
flat angles P-C4'-P energy: -39.282
tors. eta vs tors. theta energy: -73.484
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: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -776.092262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.092262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.092262 (E_RNA)
where:
Base-Base interactions energy: -531.044
where: short stacking energy: -227.536
Base-Backbone interact. energy: -2.423
local terms energy: -242.625128
where:
bonds (distance) C4'-P energy: -45.493
bonds (distance) P-C4' energy: -45.261
flat angles C4'-P-C4' energy: -57.896
flat angles P-C4'-P energy: -30.158
tors. eta vs tors. theta energy: -63.817
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: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -762.637207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.637207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.637207 (E_RNA)
where:
Base-Base interactions energy: -533.305
where: short stacking energy: -228.776
Base-Backbone interact. energy: 0.130
local terms energy: -229.462134
where:
bonds (distance) C4'-P energy: -45.855
bonds (distance) P-C4' energy: -49.391
flat angles C4'-P-C4' energy: -47.290
flat angles P-C4'-P energy: -27.554
tors. eta vs tors. theta energy: -59.371
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: 6
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -733.079945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.079945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.079945 (E_RNA)
where:
Base-Base interactions energy: -515.788
where: short stacking energy: -222.317
Base-Backbone interact. energy: 0.158
local terms energy: -217.449730
where:
bonds (distance) C4'-P energy: -35.202
bonds (distance) P-C4' energy: -42.273
flat angles C4'-P-C4' energy: -41.874
flat angles P-C4'-P energy: -33.597
tors. eta vs tors. theta energy: -64.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -633.831497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.831497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.831497 (E_RNA)
where:
Base-Base interactions energy: -418.059
where: short stacking energy: -188.271
Base-Backbone interact. energy: -0.625
local terms energy: -215.147056
where:
bonds (distance) C4'-P energy: -47.518
bonds (distance) P-C4' energy: -35.395
flat angles C4'-P-C4' energy: -44.935
flat angles P-C4'-P energy: -33.080
tors. eta vs tors. theta energy: -54.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -444.601363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.601363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.601363 (E_RNA)
where:
Base-Base interactions energy: -268.945
where: short stacking energy: -139.166
Base-Backbone interact. energy: 1.047
local terms energy: -176.703177
where:
bonds (distance) C4'-P energy: -42.291
bonds (distance) P-C4' energy: -39.861
flat angles C4'-P-C4' energy: -37.058
flat angles P-C4'-P energy: -29.844
tors. eta vs tors. theta energy: -27.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -303.609537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.609537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.609537 (E_RNA)
where:
Base-Base interactions energy: -169.321
where: short stacking energy: -105.027
Base-Backbone interact. energy: -0.415
local terms energy: -133.873786
where:
bonds (distance) C4'-P energy: -30.454
bonds (distance) P-C4' energy: -41.425
flat angles C4'-P-C4' energy: -36.708
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -7.741
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: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -282.244991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.244991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.244991 (E_RNA)
where:
Base-Base interactions energy: -137.594
where: short stacking energy: -83.440
Base-Backbone interact. energy: -0.674
local terms energy: -143.977356
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -43.802
flat angles C4'-P-C4' energy: -38.891
flat angles P-C4'-P energy: -23.570
tors. eta vs tors. theta energy: -10.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -845.662101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.662101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.662101 (E_RNA)
where:
Base-Base interactions energy: -583.630
where: short stacking energy: -246.139
Base-Backbone interact. energy: -0.662
local terms energy: -261.369586
where:
bonds (distance) C4'-P energy: -46.732
bonds (distance) P-C4' energy: -54.636
flat angles C4'-P-C4' energy: -52.667
flat angles P-C4'-P energy: -40.366
tors. eta vs tors. theta energy: -66.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -856.772435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.772435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.772435 (E_RNA)
where:
Base-Base interactions energy: -627.687
where: short stacking energy: -241.967
Base-Backbone interact. energy: -0.281
local terms energy: -228.804924
where:
bonds (distance) C4'-P energy: -39.177
bonds (distance) P-C4' energy: -48.644
flat angles C4'-P-C4' energy: -50.759
flat angles P-C4'-P energy: -32.370
tors. eta vs tors. theta energy: -57.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -793.630855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.630855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.630855 (E_RNA)
where:
Base-Base interactions energy: -533.606
where: short stacking energy: -258.784
Base-Backbone interact. energy: -0.266
local terms energy: -259.759379
where:
bonds (distance) C4'-P energy: -41.789
bonds (distance) P-C4' energy: -48.525
flat angles C4'-P-C4' energy: -54.685
flat angles P-C4'-P energy: -39.700
tors. eta vs tors. theta energy: -75.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -783.865430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.865430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.865430 (E_RNA)
where:
Base-Base interactions energy: -548.426
where: short stacking energy: -225.209
Base-Backbone interact. energy: -1.608
local terms energy: -233.832246
where:
bonds (distance) C4'-P energy: -39.070
bonds (distance) P-C4' energy: -41.810
flat angles C4'-P-C4' energy: -43.659
flat angles P-C4'-P energy: -39.608
tors. eta vs tors. theta energy: -69.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -783.821461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.821461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.821461 (E_RNA)
where:
Base-Base interactions energy: -546.090
where: short stacking energy: -232.435
Base-Backbone interact. energy: -1.068
local terms energy: -236.662904
where:
bonds (distance) C4'-P energy: -46.030
bonds (distance) P-C4' energy: -43.353
flat angles C4'-P-C4' energy: -43.746
flat angles P-C4'-P energy: -41.294
tors. eta vs tors. theta energy: -62.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -729.470566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.470566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.470566 (E_RNA)
where:
Base-Base interactions energy: -509.781
where: short stacking energy: -214.421
Base-Backbone interact. energy: -0.538
local terms energy: -219.152024
where:
bonds (distance) C4'-P energy: -44.363
bonds (distance) P-C4' energy: -35.134
flat angles C4'-P-C4' energy: -50.212
flat angles P-C4'-P energy: -22.727
tors. eta vs tors. theta energy: -66.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -592.892098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.892098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.892098 (E_RNA)
where:
Base-Base interactions energy: -395.174
where: short stacking energy: -164.981
Base-Backbone interact. energy: 1.708
local terms energy: -199.426097
where:
bonds (distance) C4'-P energy: -40.547
bonds (distance) P-C4' energy: -48.037
flat angles C4'-P-C4' energy: -46.222
flat angles P-C4'-P energy: -26.081
tors. eta vs tors. theta energy: -38.539
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: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -443.984440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.984440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.984440 (E_RNA)
where:
Base-Base interactions energy: -265.374
where: short stacking energy: -123.956
Base-Backbone interact. energy: -0.440
local terms energy: -178.171117
where:
bonds (distance) C4'-P energy: -36.869
bonds (distance) P-C4' energy: -38.084
flat angles C4'-P-C4' energy: -45.418
flat angles P-C4'-P energy: -34.497
tors. eta vs tors. theta energy: -23.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -306.081446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.081446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.081446 (E_RNA)
where:
Base-Base interactions energy: -155.911
where: short stacking energy: -94.633
Base-Backbone interact. energy: 0.309
local terms energy: -150.479625
where:
bonds (distance) C4'-P energy: -43.763
bonds (distance) P-C4' energy: -34.021
flat angles C4'-P-C4' energy: -38.752
flat angles P-C4'-P energy: -26.865
tors. eta vs tors. theta energy: -7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -250.409775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.409775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.409775 (E_RNA)
where:
Base-Base interactions energy: -110.223
where: short stacking energy: -60.534
Base-Backbone interact. energy: -1.108
local terms energy: -139.079146
where:
bonds (distance) C4'-P energy: -34.963
bonds (distance) P-C4' energy: -44.373
flat angles C4'-P-C4' energy: -34.119
flat angles P-C4'-P energy: -23.992
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -868.214096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.214096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.214096 (E_RNA)
where:
Base-Base interactions energy: -645.071
where: short stacking energy: -240.154
Base-Backbone interact. energy: -1.799
local terms energy: -221.344117
where:
bonds (distance) C4'-P energy: -40.285
bonds (distance) P-C4' energy: -42.646
flat angles C4'-P-C4' energy: -48.318
flat angles P-C4'-P energy: -40.145
tors. eta vs tors. theta energy: -49.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -839.967739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.967739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.967739 (E_RNA)
where:
Base-Base interactions energy: -583.052
where: short stacking energy: -274.897
Base-Backbone interact. energy: -0.792
local terms energy: -256.123630
where:
bonds (distance) C4'-P energy: -49.327
bonds (distance) P-C4' energy: -38.794
flat angles C4'-P-C4' energy: -55.967
flat angles P-C4'-P energy: -37.200
tors. eta vs tors. theta energy: -74.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -795.323012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.323012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.323012 (E_RNA)
where:
Base-Base interactions energy: -542.823
where: short stacking energy: -237.660
Base-Backbone interact. energy: 1.176
local terms energy: -253.675740
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -47.027
flat angles C4'-P-C4' energy: -54.688
flat angles P-C4'-P energy: -38.733
tors. eta vs tors. theta energy: -69.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -790.568384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.568384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.568384 (E_RNA)
where:
Base-Base interactions energy: -552.434
where: short stacking energy: -221.599
Base-Backbone interact. energy: -2.854
local terms energy: -235.279640
where:
bonds (distance) C4'-P energy: -39.527
bonds (distance) P-C4' energy: -48.013
flat angles C4'-P-C4' energy: -51.371
flat angles P-C4'-P energy: -29.853
tors. eta vs tors. theta energy: -66.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -749.147272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.147272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.147272 (E_RNA)
where:
Base-Base interactions energy: -533.077
where: short stacking energy: -221.705
Base-Backbone interact. energy: 0.694
local terms energy: -216.764713
where:
bonds (distance) C4'-P energy: -42.553
bonds (distance) P-C4' energy: -29.841
flat angles C4'-P-C4' energy: -51.131
flat angles P-C4'-P energy: -37.194
tors. eta vs tors. theta energy: -56.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -709.887717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.887717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.887717 (E_RNA)
where:
Base-Base interactions energy: -489.104
where: short stacking energy: -207.706
Base-Backbone interact. energy: 0.420
local terms energy: -221.203619
where:
bonds (distance) C4'-P energy: -39.821
bonds (distance) P-C4' energy: -39.595
flat angles C4'-P-C4' energy: -47.922
flat angles P-C4'-P energy: -29.783
tors. eta vs tors. theta energy: -64.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -646.579164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.579164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.579164 (E_RNA)
where:
Base-Base interactions energy: -435.342
where: short stacking energy: -208.870
Base-Backbone interact. energy: 0.227
local terms energy: -211.463949
where:
bonds (distance) C4'-P energy: -38.365
bonds (distance) P-C4' energy: -39.165
flat angles C4'-P-C4' energy: -46.035
flat angles P-C4'-P energy: -35.438
tors. eta vs tors. theta energy: -52.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -430.355402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.355402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.355402 (E_RNA)
where:
Base-Base interactions energy: -265.241
where: short stacking energy: -136.894
Base-Backbone interact. energy: -1.942
local terms energy: -163.171505
where:
bonds (distance) C4'-P energy: -40.665
bonds (distance) P-C4' energy: -45.271
flat angles C4'-P-C4' energy: -34.511
flat angles P-C4'-P energy: -18.807
tors. eta vs tors. theta energy: -23.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -305.414957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.414957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.414957 (E_RNA)
where:
Base-Base interactions energy: -178.952
where: short stacking energy: -104.382
Base-Backbone interact. energy: 0.629
local terms energy: -127.092096
where:
bonds (distance) C4'-P energy: -28.287
bonds (distance) P-C4' energy: -37.747
flat angles C4'-P-C4' energy: -33.390
flat angles P-C4'-P energy: -24.562
tors. eta vs tors. theta energy: -3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -222.332874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.332874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.332874 (E_RNA)
where:
Base-Base interactions energy: -75.410
where: short stacking energy: -64.746
Base-Backbone interact. energy: -0.708
local terms energy: -146.214657
where:
bonds (distance) C4'-P energy: -38.592
bonds (distance) P-C4' energy: -42.589
flat angles C4'-P-C4' energy: -41.406
flat angles P-C4'-P energy: -31.067
tors. eta vs tors. theta energy: 7.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -888.023052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.023052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.023052 (E_RNA)
where:
Base-Base interactions energy: -654.638
where: short stacking energy: -230.838
Base-Backbone interact. energy: 1.077
local terms energy: -234.461461
where:
bonds (distance) C4'-P energy: -37.865
bonds (distance) P-C4' energy: -54.036
flat angles C4'-P-C4' energy: -51.946
flat angles P-C4'-P energy: -35.931
tors. eta vs tors. theta energy: -54.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -809.911425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.911425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.911425 (E_RNA)
where:
Base-Base interactions energy: -547.850
where: short stacking energy: -239.652
Base-Backbone interact. energy: -0.339
local terms energy: -261.722086
where:
bonds (distance) C4'-P energy: -45.219
bonds (distance) P-C4' energy: -48.149
flat angles C4'-P-C4' energy: -57.284
flat angles P-C4'-P energy: -39.540
tors. eta vs tors. theta energy: -71.529
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: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -816.216236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.216236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.216236 (E_RNA)
where:
Base-Base interactions energy: -551.581
where: short stacking energy: -245.807
Base-Backbone interact. energy: -1.038
local terms energy: -263.597078
where:
bonds (distance) C4'-P energy: -40.122
bonds (distance) P-C4' energy: -50.706
flat angles C4'-P-C4' energy: -54.675
flat angles P-C4'-P energy: -39.716
tors. eta vs tors. theta energy: -78.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -784.136988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.136988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.136988 (E_RNA)
where:
Base-Base interactions energy: -553.371
where: short stacking energy: -233.300
Base-Backbone interact. energy: -0.986
local terms energy: -229.780019
where:
bonds (distance) C4'-P energy: -40.544
bonds (distance) P-C4' energy: -47.320
flat angles C4'-P-C4' energy: -51.994
flat angles P-C4'-P energy: -33.467
tors. eta vs tors. theta energy: -56.456
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: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -768.750487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.750487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.750487 (E_RNA)
where:
Base-Base interactions energy: -544.994
where: short stacking energy: -222.147
Base-Backbone interact. energy: 0.754
local terms energy: -224.510862
where:
bonds (distance) C4'-P energy: -31.075
bonds (distance) P-C4' energy: -48.984
flat angles C4'-P-C4' energy: -49.029
flat angles P-C4'-P energy: -36.545
tors. eta vs tors. theta energy: -58.878
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: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -738.164283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.164283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.164283 (E_RNA)
where:
Base-Base interactions energy: -532.199
where: short stacking energy: -232.623
Base-Backbone interact. energy: -2.023
local terms energy: -203.941314
where:
bonds (distance) C4'-P energy: -43.005
bonds (distance) P-C4' energy: -31.080
flat angles C4'-P-C4' energy: -40.110
flat angles P-C4'-P energy: -27.870
tors. eta vs tors. theta energy: -61.876
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: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -642.530827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.530827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.530827 (E_RNA)
where:
Base-Base interactions energy: -429.616
where: short stacking energy: -180.348
Base-Backbone interact. energy: -0.038
local terms energy: -212.876531
where:
bonds (distance) C4'-P energy: -40.515
bonds (distance) P-C4' energy: -46.145
flat angles C4'-P-C4' energy: -39.913
flat angles P-C4'-P energy: -28.794
tors. eta vs tors. theta energy: -57.509
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: 8
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -496.876506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.876506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.876506 (E_RNA)
where:
Base-Base interactions energy: -309.821
where: short stacking energy: -141.800
Base-Backbone interact. energy: -1.536
local terms energy: -185.519422
where:
bonds (distance) C4'-P energy: -38.781
bonds (distance) P-C4' energy: -43.295
flat angles C4'-P-C4' energy: -41.192
flat angles P-C4'-P energy: -29.022
tors. eta vs tors. theta energy: -33.231
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: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -242.602388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.602388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.602388 (E_RNA)
where:
Base-Base interactions energy: -106.320
where: short stacking energy: -85.693
Base-Backbone interact. energy: -0.356
local terms energy: -135.925798
where:
bonds (distance) C4'-P energy: -44.209
bonds (distance) P-C4' energy: -38.595
flat angles C4'-P-C4' energy: -34.767
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -217.663392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.663392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.663392 (E_RNA)
where:
Base-Base interactions energy: -68.543
where: short stacking energy: -64.741
Base-Backbone interact. energy: -0.815
local terms energy: -148.305343
where:
bonds (distance) C4'-P energy: -47.900
bonds (distance) P-C4' energy: -35.270
flat angles C4'-P-C4' energy: -41.177
flat angles P-C4'-P energy: -22.470
tors. eta vs tors. theta energy: -1.488
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: 4
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -878.510461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.510461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.510461 (E_RNA)
where:
Base-Base interactions energy: -638.105
where: short stacking energy: -238.642
Base-Backbone interact. energy: -3.078
local terms energy: -237.326545
where:
bonds (distance) C4'-P energy: -44.491
bonds (distance) P-C4' energy: -52.168
flat angles C4'-P-C4' energy: -47.510
flat angles P-C4'-P energy: -34.387
tors. eta vs tors. theta energy: -58.770
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: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -807.582132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.582132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.582132 (E_RNA)
where:
Base-Base interactions energy: -558.093
where: short stacking energy: -246.466
Base-Backbone interact. energy: -0.382
local terms energy: -249.107638
where:
bonds (distance) C4'-P energy: -52.121
bonds (distance) P-C4' energy: -47.820
flat angles C4'-P-C4' energy: -47.764
flat angles P-C4'-P energy: -32.596
tors. eta vs tors. theta energy: -68.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -818.091259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.091259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.091259 (E_RNA)
where:
Base-Base interactions energy: -556.233
where: short stacking energy: -249.663
Base-Backbone interact. energy: 0.010
local terms energy: -261.868696
where:
bonds (distance) C4'-P energy: -45.790
bonds (distance) P-C4' energy: -43.452
flat angles C4'-P-C4' energy: -56.404
flat angles P-C4'-P energy: -39.991
tors. eta vs tors. theta energy: -76.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -779.299948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.299948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.299948 (E_RNA)
where:
Base-Base interactions energy: -546.536
where: short stacking energy: -232.433
Base-Backbone interact. energy: -2.505
local terms energy: -230.259406
where:
bonds (distance) C4'-P energy: -37.378
bonds (distance) P-C4' energy: -45.373
flat angles C4'-P-C4' energy: -57.290
flat angles P-C4'-P energy: -33.707
tors. eta vs tors. theta energy: -56.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -726.712484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.712484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.712484 (E_RNA)
where:
Base-Base interactions energy: -497.798
where: short stacking energy: -211.529
Base-Backbone interact. energy: -0.746
local terms energy: -228.168268
where:
bonds (distance) C4'-P energy: -45.538
bonds (distance) P-C4' energy: -40.829
flat angles C4'-P-C4' energy: -48.663
flat angles P-C4'-P energy: -38.967
tors. eta vs tors. theta energy: -54.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -762.685668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.685668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.685668 (E_RNA)
where:
Base-Base interactions energy: -520.407
where: short stacking energy: -235.143
Base-Backbone interact. energy: -1.628
local terms energy: -240.651009
where:
bonds (distance) C4'-P energy: -47.210
bonds (distance) P-C4' energy: -48.607
flat angles C4'-P-C4' energy: -44.971
flat angles P-C4'-P energy: -30.147
tors. eta vs tors. theta energy: -69.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -632.720397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.720397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.720397 (E_RNA)
where:
Base-Base interactions energy: -421.266
where: short stacking energy: -189.972
Base-Backbone interact. energy: -1.210
local terms energy: -210.245206
where:
bonds (distance) C4'-P energy: -32.816
bonds (distance) P-C4' energy: -51.408
flat angles C4'-P-C4' energy: -52.415
flat angles P-C4'-P energy: -26.473
tors. eta vs tors. theta energy: -47.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -471.166633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.166633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.166633 (E_RNA)
where:
Base-Base interactions energy: -298.389
where: short stacking energy: -118.904
Base-Backbone interact. energy: -0.699
local terms energy: -172.078264
where:
bonds (distance) C4'-P energy: -40.058
bonds (distance) P-C4' energy: -44.237
flat angles C4'-P-C4' energy: -43.417
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -27.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -240.491039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.491039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.491039 (E_RNA)
where:
Base-Base interactions energy: -104.043
where: short stacking energy: -87.769
Base-Backbone interact. energy: -1.204
local terms energy: -135.244079
where:
bonds (distance) C4'-P energy: -25.027
bonds (distance) P-C4' energy: -40.476
flat angles C4'-P-C4' energy: -45.264
flat angles P-C4'-P energy: -23.168
tors. eta vs tors. theta energy: -1.308
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: 10, replica: 7
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -231.877516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.877516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.877516 (E_RNA)
where:
Base-Base interactions energy: -89.679
where: short stacking energy: -66.568
Base-Backbone interact. energy: 0.369
local terms energy: -142.566899
where:
bonds (distance) C4'-P energy: -39.574
bonds (distance) P-C4' energy: -42.491
flat angles C4'-P-C4' energy: -37.014
flat angles P-C4'-P energy: -27.139
tors. eta vs tors. theta energy: 3.650
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: 4
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -885.309749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.309749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.309749 (E_RNA)
where:
Base-Base interactions energy: -645.372
where: short stacking energy: -233.589
Base-Backbone interact. energy: -2.854
local terms energy: -237.083141
where:
bonds (distance) C4'-P energy: -48.294
bonds (distance) P-C4' energy: -48.930
flat angles C4'-P-C4' energy: -52.838
flat angles P-C4'-P energy: -32.700
tors. eta vs tors. theta energy: -54.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -807.211532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.211532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.211532 (E_RNA)
where:
Base-Base interactions energy: -560.180
where: short stacking energy: -251.780
Base-Backbone interact. energy: -0.941
local terms energy: -246.090104
where:
bonds (distance) C4'-P energy: -43.177
bonds (distance) P-C4' energy: -41.157
flat angles C4'-P-C4' energy: -50.788
flat angles P-C4'-P energy: -35.674
tors. eta vs tors. theta energy: -75.293
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: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -770.195824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.195824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.195824 (E_RNA)
where:
Base-Base interactions energy: -525.023
where: short stacking energy: -240.516
Base-Backbone interact. energy: -1.064
local terms energy: -244.108276
where:
bonds (distance) C4'-P energy: -41.767
bonds (distance) P-C4' energy: -51.571
flat angles C4'-P-C4' energy: -47.145
flat angles P-C4'-P energy: -34.593
tors. eta vs tors. theta energy: -69.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -773.391399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.391399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.391399 (E_RNA)
where:
Base-Base interactions energy: -547.501
where: short stacking energy: -230.429
Base-Backbone interact. energy: 0.180
local terms energy: -226.070561
where:
bonds (distance) C4'-P energy: -44.139
bonds (distance) P-C4' energy: -38.824
flat angles C4'-P-C4' energy: -50.372
flat angles P-C4'-P energy: -32.494
tors. eta vs tors. theta energy: -60.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -774.287946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.287946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.287946 (E_RNA)
where:
Base-Base interactions energy: -548.440
where: short stacking energy: -226.075
Base-Backbone interact. energy: -0.370
local terms energy: -225.478157
where:
bonds (distance) C4'-P energy: -48.196
bonds (distance) P-C4' energy: -43.016
flat angles C4'-P-C4' energy: -45.338
flat angles P-C4'-P energy: -28.899
tors. eta vs tors. theta energy: -60.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -738.967816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.967816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.967816 (E_RNA)
where:
Base-Base interactions energy: -517.668
where: short stacking energy: -212.107
Base-Backbone interact. energy: -2.541
local terms energy: -218.758524
where:
bonds (distance) C4'-P energy: -31.606
bonds (distance) P-C4' energy: -42.639
flat angles C4'-P-C4' energy: -45.598
flat angles P-C4'-P energy: -33.521
tors. eta vs tors. theta energy: -65.395
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: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -624.388398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.388398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.388398 (E_RNA)
where:
Base-Base interactions energy: -412.549
where: short stacking energy: -168.953
Base-Backbone interact. energy: -1.701
local terms energy: -210.138139
where:
bonds (distance) C4'-P energy: -47.766
bonds (distance) P-C4' energy: -35.484
flat angles C4'-P-C4' energy: -47.902
flat angles P-C4'-P energy: -31.567
tors. eta vs tors. theta energy: -47.420
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: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -472.834859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.834859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.834859 (E_RNA)
where:
Base-Base interactions energy: -283.174
where: short stacking energy: -123.770
Base-Backbone interact. energy: -1.653
local terms energy: -188.008770
where:
bonds (distance) C4'-P energy: -47.568
bonds (distance) P-C4' energy: -50.249
flat angles C4'-P-C4' energy: -43.398
flat angles P-C4'-P energy: -25.909
tors. eta vs tors. theta energy: -20.884
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: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -253.527890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.527890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.527890 (E_RNA)
where:
Base-Base interactions energy: -121.131
where: short stacking energy: -83.252
Base-Backbone interact. energy: 0.370
local terms energy: -132.767309
where:
bonds (distance) C4'-P energy: -39.279
bonds (distance) P-C4' energy: -43.817
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -21.516
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -216.576241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.576241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.576241 (E_RNA)
where:
Base-Base interactions energy: -78.521
where: short stacking energy: -58.974
Base-Backbone interact. energy: 1.993
local terms energy: -140.047788
where:
bonds (distance) C4'-P energy: -49.094
bonds (distance) P-C4' energy: -44.877
flat angles C4'-P-C4' energy: -36.704
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: 1.494
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: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -882.086107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.086107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.086107 (E_RNA)
where:
Base-Base interactions energy: -648.122
where: short stacking energy: -237.992
Base-Backbone interact. energy: -1.978
local terms energy: -231.986687
where:
bonds (distance) C4'-P energy: -46.538
bonds (distance) P-C4' energy: -53.477
flat angles C4'-P-C4' energy: -43.315
flat angles P-C4'-P energy: -39.369
tors. eta vs tors. theta energy: -49.287
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: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -817.077399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.077399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.077399 (E_RNA)
where:
Base-Base interactions energy: -553.050
where: short stacking energy: -266.454
Base-Backbone interact. energy: -0.167
local terms energy: -263.860514
where:
bonds (distance) C4'-P energy: -42.505
bonds (distance) P-C4' energy: -47.475
flat angles C4'-P-C4' energy: -55.047
flat angles P-C4'-P energy: -37.496
tors. eta vs tors. theta energy: -81.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -781.694219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.694219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.694219 (E_RNA)
where:
Base-Base interactions energy: -546.798
where: short stacking energy: -231.395
Base-Backbone interact. energy: -1.729
local terms energy: -233.167720
where:
bonds (distance) C4'-P energy: -47.287
bonds (distance) P-C4' energy: -40.088
flat angles C4'-P-C4' energy: -49.949
flat angles P-C4'-P energy: -31.850
tors. eta vs tors. theta energy: -63.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -773.191850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.191850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.191850 (E_RNA)
where:
Base-Base interactions energy: -515.476
where: short stacking energy: -231.541
Base-Backbone interact. energy: -0.248
local terms energy: -257.467544
where:
bonds (distance) C4'-P energy: -53.654
bonds (distance) P-C4' energy: -50.591
flat angles C4'-P-C4' energy: -52.042
flat angles P-C4'-P energy: -32.822
tors. eta vs tors. theta energy: -68.358
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: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -763.997483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.997483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.997483 (E_RNA)
where:
Base-Base interactions energy: -540.385
where: short stacking energy: -226.682
Base-Backbone interact. energy: 0.167
local terms energy: -223.779625
where:
bonds (distance) C4'-P energy: -46.513
bonds (distance) P-C4' energy: -38.229
flat angles C4'-P-C4' energy: -47.198
flat angles P-C4'-P energy: -34.613
tors. eta vs tors. theta energy: -57.226
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: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -741.850547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.850547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.850547 (E_RNA)
where:
Base-Base interactions energy: -509.697
where: short stacking energy: -222.094
Base-Backbone interact. energy: -1.184
local terms energy: -230.968812
where:
bonds (distance) C4'-P energy: -48.240
bonds (distance) P-C4' energy: -39.489
flat angles C4'-P-C4' energy: -45.011
flat angles P-C4'-P energy: -35.173
tors. eta vs tors. theta energy: -63.056
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: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -644.377481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.377481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.377481 (E_RNA)
where:
Base-Base interactions energy: -438.348
where: short stacking energy: -206.664
Base-Backbone interact. energy: -1.552
local terms energy: -204.477890
where:
bonds (distance) C4'-P energy: -38.568
bonds (distance) P-C4' energy: -38.598
flat angles C4'-P-C4' energy: -42.678
flat angles P-C4'-P energy: -27.811
tors. eta vs tors. theta energy: -56.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -415.683481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.683481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.683481 (E_RNA)
where:
Base-Base interactions energy: -267.104
where: short stacking energy: -120.021
Base-Backbone interact. energy: -1.262
local terms energy: -147.317479
where:
bonds (distance) C4'-P energy: -39.256
bonds (distance) P-C4' energy: -37.688
flat angles C4'-P-C4' energy: -36.932
flat angles P-C4'-P energy: -20.124
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -242.538433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.538433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.538433 (E_RNA)
where:
Base-Base interactions energy: -95.145
where: short stacking energy: -84.246
Base-Backbone interact. energy: -0.255
local terms energy: -147.138335
where:
bonds (distance) C4'-P energy: -38.001
bonds (distance) P-C4' energy: -49.638
flat angles C4'-P-C4' energy: -33.432
flat angles P-C4'-P energy: -24.924
tors. eta vs tors. theta energy: -1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -234.014241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.014241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.014241 (E_RNA)
where:
Base-Base interactions energy: -102.375
where: short stacking energy: -68.320
Base-Backbone interact. energy: -1.387
local terms energy: -130.251527
where:
bonds (distance) C4'-P energy: -34.929
bonds (distance) P-C4' energy: -35.367
flat angles C4'-P-C4' energy: -27.781
flat angles P-C4'-P energy: -31.580
tors. eta vs tors. theta energy: -0.595
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: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -879.479551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.479551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.479551 (E_RNA)
where:
Base-Base interactions energy: -643.155
where: short stacking energy: -238.905
Base-Backbone interact. energy: -0.503
local terms energy: -235.820972
where:
bonds (distance) C4'-P energy: -43.898
bonds (distance) P-C4' energy: -46.101
flat angles C4'-P-C4' energy: -54.365
flat angles P-C4'-P energy: -36.511
tors. eta vs tors. theta energy: -54.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -821.679825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.679825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.679825 (E_RNA)
where:
Base-Base interactions energy: -564.692
where: short stacking energy: -262.945
Base-Backbone interact. energy: -0.909
local terms energy: -256.078130
where:
bonds (distance) C4'-P energy: -46.176
bonds (distance) P-C4' energy: -40.664
flat angles C4'-P-C4' energy: -53.790
flat angles P-C4'-P energy: -41.820
tors. eta vs tors. theta energy: -73.628
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: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -800.840820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.840820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.840820 (E_RNA)
where:
Base-Base interactions energy: -548.703
where: short stacking energy: -245.080
Base-Backbone interact. energy: -2.212
local terms energy: -249.925744
where:
bonds (distance) C4'-P energy: -42.165
bonds (distance) P-C4' energy: -45.484
flat angles C4'-P-C4' energy: -56.306
flat angles P-C4'-P energy: -37.052
tors. eta vs tors. theta energy: -68.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -778.910650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.910650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.910650 (E_RNA)
where:
Base-Base interactions energy: -545.364
where: short stacking energy: -232.264
Base-Backbone interact. energy: -0.022
local terms energy: -233.523758
where:
bonds (distance) C4'-P energy: -45.362
bonds (distance) P-C4' energy: -48.656
flat angles C4'-P-C4' energy: -49.613
flat angles P-C4'-P energy: -29.045
tors. eta vs tors. theta energy: -60.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -742.806644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.806644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.806644 (E_RNA)
where:
Base-Base interactions energy: -511.212
where: short stacking energy: -234.285
Base-Backbone interact. energy: -0.162
local terms energy: -231.433396
where:
bonds (distance) C4'-P energy: -37.742
bonds (distance) P-C4' energy: -42.413
flat angles C4'-P-C4' energy: -46.874
flat angles P-C4'-P energy: -32.184
tors. eta vs tors. theta energy: -72.221
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: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -713.736705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.736705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.736705 (E_RNA)
where:
Base-Base interactions energy: -509.533
where: short stacking energy: -225.071
Base-Backbone interact. energy: 2.466
local terms energy: -206.669388
where:
bonds (distance) C4'-P energy: -28.846
bonds (distance) P-C4' energy: -41.681
flat angles C4'-P-C4' energy: -45.856
flat angles P-C4'-P energy: -30.161
tors. eta vs tors. theta energy: -60.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -650.636473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.636473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.636473 (E_RNA)
where:
Base-Base interactions energy: -436.291
where: short stacking energy: -186.712
Base-Backbone interact. energy: -2.282
local terms energy: -212.063154
where:
bonds (distance) C4'-P energy: -42.664
bonds (distance) P-C4' energy: -43.782
flat angles C4'-P-C4' energy: -48.636
flat angles P-C4'-P energy: -30.281
tors. eta vs tors. theta energy: -46.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -448.326934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.326934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.326934 (E_RNA)
where:
Base-Base interactions energy: -290.057
where: short stacking energy: -141.611
Base-Backbone interact. energy: -0.680
local terms energy: -157.590526
where:
bonds (distance) C4'-P energy: -40.646
bonds (distance) P-C4' energy: -30.821
flat angles C4'-P-C4' energy: -37.357
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -26.074
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: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -245.196091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.196091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.196091 (E_RNA)
where:
Base-Base interactions energy: -108.831
where: short stacking energy: -89.426
Base-Backbone interact. energy: -0.549
local terms energy: -135.816440
where:
bonds (distance) C4'-P energy: -38.731
bonds (distance) P-C4' energy: -51.487
flat angles C4'-P-C4' energy: -31.682
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -1.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -228.597716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.597716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.597716 (E_RNA)
where:
Base-Base interactions energy: -89.302
where: short stacking energy: -68.055
Base-Backbone interact. energy: 1.775
local terms energy: -141.070995
where:
bonds (distance) C4'-P energy: -47.349
bonds (distance) P-C4' energy: -39.819
flat angles C4'-P-C4' energy: -31.132
flat angles P-C4'-P energy: -20.740
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -870.830864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.830864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.830864 (E_RNA)
where:
Base-Base interactions energy: -633.659
where: short stacking energy: -231.145
Base-Backbone interact. energy: -2.020
local terms energy: -235.152323
where:
bonds (distance) C4'-P energy: -38.507
bonds (distance) P-C4' energy: -55.268
flat angles C4'-P-C4' energy: -54.267
flat angles P-C4'-P energy: -31.835
tors. eta vs tors. theta energy: -55.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -820.514006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.514006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.514006 (E_RNA)
where:
Base-Base interactions energy: -563.840
where: short stacking energy: -261.778
Base-Backbone interact. energy: -0.351
local terms energy: -256.322303
where:
bonds (distance) C4'-P energy: -43.667
bonds (distance) P-C4' energy: -52.649
flat angles C4'-P-C4' energy: -52.033
flat angles P-C4'-P energy: -35.234
tors. eta vs tors. theta energy: -72.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -801.309913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.309913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.309913 (E_RNA)
where:
Base-Base interactions energy: -536.989
where: short stacking energy: -235.068
Base-Backbone interact. energy: 0.451
local terms energy: -264.772047
where:
bonds (distance) C4'-P energy: -50.108
bonds (distance) P-C4' energy: -50.321
flat angles C4'-P-C4' energy: -54.476
flat angles P-C4'-P energy: -38.944
tors. eta vs tors. theta energy: -70.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -781.512476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.512476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.512476 (E_RNA)
where:
Base-Base interactions energy: -554.884
where: short stacking energy: -229.803
Base-Backbone interact. energy: -0.687
local terms energy: -225.942064
where:
bonds (distance) C4'-P energy: -40.445
bonds (distance) P-C4' energy: -38.133
flat angles C4'-P-C4' energy: -58.772
flat angles P-C4'-P energy: -32.389
tors. eta vs tors. theta energy: -56.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -773.865677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.865677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.865677 (E_RNA)
where:
Base-Base interactions energy: -532.050
where: short stacking energy: -230.980
Base-Backbone interact. energy: -2.151
local terms energy: -239.664569
where:
bonds (distance) C4'-P energy: -45.857
bonds (distance) P-C4' energy: -44.438
flat angles C4'-P-C4' energy: -47.559
flat angles P-C4'-P energy: -38.191
tors. eta vs tors. theta energy: -63.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -687.869024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.869024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.869024 (E_RNA)
where:
Base-Base interactions energy: -459.044
where: short stacking energy: -190.919
Base-Backbone interact. energy: -1.762
local terms energy: -227.062609
where:
bonds (distance) C4'-P energy: -38.138
bonds (distance) P-C4' energy: -42.672
flat angles C4'-P-C4' energy: -51.256
flat angles P-C4'-P energy: -33.031
tors. eta vs tors. theta energy: -61.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -615.613212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.613212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.613212 (E_RNA)
where:
Base-Base interactions energy: -436.419
where: short stacking energy: -186.110
Base-Backbone interact. energy: 0.371
local terms energy: -179.565464
where:
bonds (distance) C4'-P energy: -29.154
bonds (distance) P-C4' energy: -45.406
flat angles C4'-P-C4' energy: -40.591
flat angles P-C4'-P energy: -25.963
tors. eta vs tors. theta energy: -38.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -441.325829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.325829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.325829 (E_RNA)
where:
Base-Base interactions energy: -273.240
where: short stacking energy: -128.754
Base-Backbone interact. energy: -0.969
local terms energy: -167.117291
where:
bonds (distance) C4'-P energy: -34.675
bonds (distance) P-C4' energy: -44.597
flat angles C4'-P-C4' energy: -50.558
flat angles P-C4'-P energy: -21.330
tors. eta vs tors. theta energy: -15.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -235.475919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.475919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.475919 (E_RNA)
where:
Base-Base interactions energy: -126.980
where: short stacking energy: -84.422
Base-Backbone interact. energy: -0.568
local terms energy: -107.928297
where:
bonds (distance) C4'-P energy: -38.257
bonds (distance) P-C4' energy: -26.135
flat angles C4'-P-C4' energy: -25.186
flat angles P-C4'-P energy: -23.688
tors. eta vs tors. theta energy: 5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -229.936195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.936195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.936195 (E_RNA)
where:
Base-Base interactions energy: -103.577
where: short stacking energy: -80.611
Base-Backbone interact. energy: 5.242
local terms energy: -131.600776
where:
bonds (distance) C4'-P energy: -45.996
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -36.210
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: 3.928
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: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -862.224299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.224299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.224299 (E_RNA)
where:
Base-Base interactions energy: -621.543
where: short stacking energy: -227.700
Base-Backbone interact. energy: -1.961
local terms energy: -238.720317
where:
bonds (distance) C4'-P energy: -47.917
bonds (distance) P-C4' energy: -51.964
flat angles C4'-P-C4' energy: -52.100
flat angles P-C4'-P energy: -30.982
tors. eta vs tors. theta energy: -55.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -823.667306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.667306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.667306 (E_RNA)
where:
Base-Base interactions energy: -560.377
where: short stacking energy: -238.327
Base-Backbone interact. energy: -1.672
local terms energy: -261.618792
where:
bonds (distance) C4'-P energy: -47.485
bonds (distance) P-C4' energy: -51.964
flat angles C4'-P-C4' energy: -55.294
flat angles P-C4'-P energy: -37.759
tors. eta vs tors. theta energy: -69.117
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: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -809.080734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.080734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.080734 (E_RNA)
where:
Base-Base interactions energy: -546.931
where: short stacking energy: -242.022
Base-Backbone interact. energy: -0.431
local terms energy: -261.718563
where:
bonds (distance) C4'-P energy: -56.887
bonds (distance) P-C4' energy: -48.471
flat angles C4'-P-C4' energy: -53.718
flat angles P-C4'-P energy: -29.540
tors. eta vs tors. theta energy: -73.102
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: 10
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -781.890814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.890814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.890814 (E_RNA)
where:
Base-Base interactions energy: -550.873
where: short stacking energy: -226.339
Base-Backbone interact. energy: -2.048
local terms energy: -228.969336
where:
bonds (distance) C4'-P energy: -42.331
bonds (distance) P-C4' energy: -49.270
flat angles C4'-P-C4' energy: -46.622
flat angles P-C4'-P energy: -30.229
tors. eta vs tors. theta energy: -60.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -773.334620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.334620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.334620 (E_RNA)
where:
Base-Base interactions energy: -537.752
where: short stacking energy: -227.722
Base-Backbone interact. energy: -1.716
local terms energy: -233.866224
where:
bonds (distance) C4'-P energy: -48.646
bonds (distance) P-C4' energy: -46.307
flat angles C4'-P-C4' energy: -41.503
flat angles P-C4'-P energy: -26.807
tors. eta vs tors. theta energy: -70.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -697.930051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.930051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.930051 (E_RNA)
where:
Base-Base interactions energy: -478.947
where: short stacking energy: -213.256
Base-Backbone interact. energy: 0.103
local terms energy: -219.085881
where:
bonds (distance) C4'-P energy: -39.312
bonds (distance) P-C4' energy: -44.215
flat angles C4'-P-C4' energy: -42.073
flat angles P-C4'-P energy: -33.325
tors. eta vs tors. theta energy: -60.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -622.661968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.661968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.661968 (E_RNA)
where:
Base-Base interactions energy: -418.289
where: short stacking energy: -190.947
Base-Backbone interact. energy: -1.341
local terms energy: -203.032033
where:
bonds (distance) C4'-P energy: -40.740
bonds (distance) P-C4' energy: -48.600
flat angles C4'-P-C4' energy: -41.419
flat angles P-C4'-P energy: -30.473
tors. eta vs tors. theta energy: -41.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -412.919862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.919862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.919862 (E_RNA)
where:
Base-Base interactions energy: -234.449
where: short stacking energy: -116.379
Base-Backbone interact. energy: -2.111
local terms energy: -176.359050
where:
bonds (distance) C4'-P energy: -41.963
bonds (distance) P-C4' energy: -53.083
flat angles C4'-P-C4' energy: -35.308
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: -20.728
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: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -232.200474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.200474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.200474 (E_RNA)
where:
Base-Base interactions energy: -86.709
where: short stacking energy: -66.610
Base-Backbone interact. energy: -1.465
local terms energy: -144.026629
where:
bonds (distance) C4'-P energy: -41.319
bonds (distance) P-C4' energy: -42.453
flat angles C4'-P-C4' energy: -35.711
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: 0.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -211.968700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.968700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.968700 (E_RNA)
where:
Base-Base interactions energy: -84.995
where: short stacking energy: -60.649
Base-Backbone interact. energy: 2.753
local terms energy: -129.726891
where:
bonds (distance) C4'-P energy: -42.503
bonds (distance) P-C4' energy: -47.420
flat angles C4'-P-C4' energy: -36.466
flat angles P-C4'-P energy: -16.675
tors. eta vs tors. theta energy: 13.336
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: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -857.582478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.582478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.582478 (E_RNA)
where:
Base-Base interactions energy: -616.384
where: short stacking energy: -230.592
Base-Backbone interact. energy: -3.490
local terms energy: -237.708294
where:
bonds (distance) C4'-P energy: -35.636
bonds (distance) P-C4' energy: -55.491
flat angles C4'-P-C4' energy: -55.693
flat angles P-C4'-P energy: -31.513
tors. eta vs tors. theta energy: -59.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -840.116028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.116028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.116028 (E_RNA)
where:
Base-Base interactions energy: -580.077
where: short stacking energy: -235.871
Base-Backbone interact. energy: -1.725
local terms energy: -258.313952
where:
bonds (distance) C4'-P energy: -45.617
bonds (distance) P-C4' energy: -48.230
flat angles C4'-P-C4' energy: -61.636
flat angles P-C4'-P energy: -40.204
tors. eta vs tors. theta energy: -62.627
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: 10
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -809.162317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.162317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.162317 (E_RNA)
where:
Base-Base interactions energy: -567.715
where: short stacking energy: -241.248
Base-Backbone interact. energy: -0.611
local terms energy: -240.836322
where:
bonds (distance) C4'-P energy: -40.666
bonds (distance) P-C4' energy: -45.159
flat angles C4'-P-C4' energy: -50.275
flat angles P-C4'-P energy: -38.395
tors. eta vs tors. theta energy: -66.341
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: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -764.126919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.126919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.126919 (E_RNA)
where:
Base-Base interactions energy: -524.149
where: short stacking energy: -220.615
Base-Backbone interact. energy: -0.729
local terms energy: -239.248556
where:
bonds (distance) C4'-P energy: -46.010
bonds (distance) P-C4' energy: -44.812
flat angles C4'-P-C4' energy: -51.893
flat angles P-C4'-P energy: -33.651
tors. eta vs tors. theta energy: -62.881
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: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -772.177865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.177865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.177865 (E_RNA)
where:
Base-Base interactions energy: -530.138
where: short stacking energy: -219.644
Base-Backbone interact. energy: -3.027
local terms energy: -239.013111
where:
bonds (distance) C4'-P energy: -37.392
bonds (distance) P-C4' energy: -43.078
flat angles C4'-P-C4' energy: -54.886
flat angles P-C4'-P energy: -43.047
tors. eta vs tors. theta energy: -60.611
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: 6, replica: 2
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -702.869359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.869359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.869359 (E_RNA)
where:
Base-Base interactions energy: -487.499
where: short stacking energy: -210.110
Base-Backbone interact. energy: -0.465
local terms energy: -214.905169
where:
bonds (distance) C4'-P energy: -36.288
bonds (distance) P-C4' energy: -37.810
flat angles C4'-P-C4' energy: -47.473
flat angles P-C4'-P energy: -29.978
tors. eta vs tors. theta energy: -63.356
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: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -651.324057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.324057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.324057 (E_RNA)
where:
Base-Base interactions energy: -443.913
where: short stacking energy: -186.555
Base-Backbone interact. energy: 0.981
local terms energy: -208.391722
where:
bonds (distance) C4'-P energy: -36.349
bonds (distance) P-C4' energy: -52.513
flat angles C4'-P-C4' energy: -40.973
flat angles P-C4'-P energy: -31.867
tors. eta vs tors. theta energy: -46.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -393.708229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.708229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.708229 (E_RNA)
where:
Base-Base interactions energy: -210.207
where: short stacking energy: -103.714
Base-Backbone interact. energy: 1.286
local terms energy: -184.787238
where:
bonds (distance) C4'-P energy: -50.680
bonds (distance) P-C4' energy: -42.897
flat angles C4'-P-C4' energy: -43.817
flat angles P-C4'-P energy: -33.883
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -226.045263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.045263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.045263 (E_RNA)
where:
Base-Base interactions energy: -93.272
where: short stacking energy: -86.155
Base-Backbone interact. energy: -0.626
local terms energy: -132.147388
where:
bonds (distance) C4'-P energy: -39.991
bonds (distance) P-C4' energy: -35.568
flat angles C4'-P-C4' energy: -33.384
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -9.623
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: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -220.173724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.173724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.173724 (E_RNA)
where:
Base-Base interactions energy: -95.603
where: short stacking energy: -80.581
Base-Backbone interact. energy: 0.144
local terms energy: -124.714839
where:
bonds (distance) C4'-P energy: -44.950
bonds (distance) P-C4' energy: -36.071
flat angles C4'-P-C4' energy: -31.716
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: 5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -877.209449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.209449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.209449 (E_RNA)
where:
Base-Base interactions energy: -635.524
where: short stacking energy: -234.239
Base-Backbone interact. energy: -1.346
local terms energy: -240.338629
where:
bonds (distance) C4'-P energy: -46.180
bonds (distance) P-C4' energy: -49.873
flat angles C4'-P-C4' energy: -52.516
flat angles P-C4'-P energy: -37.373
tors. eta vs tors. theta energy: -54.397
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: 10
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -829.441943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.441943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.441943 (E_RNA)
where:
Base-Base interactions energy: -586.327
where: short stacking energy: -256.711
Base-Backbone interact. energy: -3.177
local terms energy: -239.937523
where:
bonds (distance) C4'-P energy: -43.960
bonds (distance) P-C4' energy: -46.494
flat angles C4'-P-C4' energy: -56.852
flat angles P-C4'-P energy: -29.743
tors. eta vs tors. theta energy: -62.889
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: 5
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -785.451836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.451836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.451836 (E_RNA)
where:
Base-Base interactions energy: -548.802
where: short stacking energy: -217.339
Base-Backbone interact. energy: -0.640
local terms energy: -236.009747
where:
bonds (distance) C4'-P energy: -40.343
bonds (distance) P-C4' energy: -47.449
flat angles C4'-P-C4' energy: -48.449
flat angles P-C4'-P energy: -35.043
tors. eta vs tors. theta energy: -64.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -793.408365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.408365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.408365 (E_RNA)
where:
Base-Base interactions energy: -567.249
where: short stacking energy: -231.477
Base-Backbone interact. energy: 0.089
local terms energy: -226.248357
where:
bonds (distance) C4'-P energy: -36.255
bonds (distance) P-C4' energy: -42.597
flat angles C4'-P-C4' energy: -52.001
flat angles P-C4'-P energy: -36.010
tors. eta vs tors. theta energy: -59.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -742.239759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.239759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.239759 (E_RNA)
where:
Base-Base interactions energy: -506.319
where: short stacking energy: -218.817
Base-Backbone interact. energy: -0.409
local terms energy: -235.512177
where:
bonds (distance) C4'-P energy: -45.744
bonds (distance) P-C4' energy: -49.049
flat angles C4'-P-C4' energy: -56.988
flat angles P-C4'-P energy: -26.181
tors. eta vs tors. theta energy: -57.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -690.650196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.650196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.650196 (E_RNA)
where:
Base-Base interactions energy: -484.309
where: short stacking energy: -204.788
Base-Backbone interact. energy: -0.559
local terms energy: -205.781811
where:
bonds (distance) C4'-P energy: -33.567
bonds (distance) P-C4' energy: -43.718
flat angles C4'-P-C4' energy: -44.600
flat angles P-C4'-P energy: -31.143
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: 7, replica: 9
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -687.052572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.052572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.052572 (E_RNA)
where:
Base-Base interactions energy: -474.390
where: short stacking energy: -219.123
Base-Backbone interact. energy: -1.308
local terms energy: -211.354949
where:
bonds (distance) C4'-P energy: -38.129
bonds (distance) P-C4' energy: -40.488
flat angles C4'-P-C4' energy: -47.620
flat angles P-C4'-P energy: -29.137
tors. eta vs tors. theta energy: -55.981
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: 8, replica: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -372.656364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.656364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.656364 (E_RNA)
where:
Base-Base interactions energy: -207.351
where: short stacking energy: -108.568
Base-Backbone interact. energy: -0.438
local terms energy: -164.867427
where:
bonds (distance) C4'-P energy: -37.381
bonds (distance) P-C4' energy: -38.302
flat angles C4'-P-C4' energy: -45.027
flat angles P-C4'-P energy: -27.399
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -236.811755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.811755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.811755 (E_RNA)
where:
Base-Base interactions energy: -97.235
where: short stacking energy: -73.615
Base-Backbone interact. energy: -0.279
local terms energy: -139.297935
where:
bonds (distance) C4'-P energy: -44.889
bonds (distance) P-C4' energy: -48.206
flat angles C4'-P-C4' energy: -31.718
flat angles P-C4'-P energy: -27.229
tors. eta vs tors. theta energy: 12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -241.571092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.571092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.571092 (E_RNA)
where:
Base-Base interactions energy: -101.271
where: short stacking energy: -76.664
Base-Backbone interact. energy: -0.449
local terms energy: -139.851458
where:
bonds (distance) C4'-P energy: -40.746
bonds (distance) P-C4' energy: -40.403
flat angles C4'-P-C4' energy: -38.957
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -6.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -876.817281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.817281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.817281 (E_RNA)
where:
Base-Base interactions energy: -632.775
where: short stacking energy: -229.808
Base-Backbone interact. energy: -3.797
local terms energy: -240.245110
where:
bonds (distance) C4'-P energy: -55.139
bonds (distance) P-C4' energy: -46.495
flat angles C4'-P-C4' energy: -50.802
flat angles P-C4'-P energy: -32.838
tors. eta vs tors. theta energy: -54.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -807.440961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.440961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.440961 (E_RNA)
where:
Base-Base interactions energy: -563.583
where: short stacking energy: -250.694
Base-Backbone interact. energy: 2.133
local terms energy: -245.991004
where:
bonds (distance) C4'-P energy: -47.789
bonds (distance) P-C4' energy: -41.643
flat angles C4'-P-C4' energy: -59.834
flat angles P-C4'-P energy: -37.151
tors. eta vs tors. theta energy: -59.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -791.198406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.198406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.198406 (E_RNA)
where:
Base-Base interactions energy: -564.901
where: short stacking energy: -233.836
Base-Backbone interact. energy: -0.793
local terms energy: -225.504157
where:
bonds (distance) C4'-P energy: -36.289
bonds (distance) P-C4' energy: -49.300
flat angles C4'-P-C4' energy: -43.924
flat angles P-C4'-P energy: -33.455
tors. eta vs tors. theta energy: -62.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -783.189852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.189852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.189852 (E_RNA)
where:
Base-Base interactions energy: -537.855
where: short stacking energy: -219.450
Base-Backbone interact. energy: -2.005
local terms energy: -243.330237
where:
bonds (distance) C4'-P energy: -47.415
bonds (distance) P-C4' energy: -44.362
flat angles C4'-P-C4' energy: -52.310
flat angles P-C4'-P energy: -34.200
tors. eta vs tors. theta energy: -65.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -740.683939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.683939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.683939 (E_RNA)
where:
Base-Base interactions energy: -497.063
where: short stacking energy: -226.389
Base-Backbone interact. energy: 0.081
local terms energy: -243.701724
where:
bonds (distance) C4'-P energy: -41.086
bonds (distance) P-C4' energy: -48.990
flat angles C4'-P-C4' energy: -43.384
flat angles P-C4'-P energy: -35.687
tors. eta vs tors. theta energy: -74.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -682.162552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.162552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.162552 (E_RNA)
where:
Base-Base interactions energy: -464.416
where: short stacking energy: -225.213
Base-Backbone interact. energy: -0.163
local terms energy: -217.583908
where:
bonds (distance) C4'-P energy: -41.448
bonds (distance) P-C4' energy: -38.639
flat angles C4'-P-C4' energy: -51.529
flat angles P-C4'-P energy: -23.977
tors. eta vs tors. theta energy: -61.992
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: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -679.865667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.865667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.865667 (E_RNA)
where:
Base-Base interactions energy: -475.044
where: short stacking energy: -212.043
Base-Backbone interact. energy: 1.453
local terms energy: -206.274928
where:
bonds (distance) C4'-P energy: -39.944
bonds (distance) P-C4' energy: -33.559
flat angles C4'-P-C4' energy: -48.772
flat angles P-C4'-P energy: -33.342
tors. eta vs tors. theta energy: -50.659
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: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -408.619417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.619417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.619417 (E_RNA)
where:
Base-Base interactions energy: -227.876
where: short stacking energy: -120.349
Base-Backbone interact. energy: 0.709
local terms energy: -181.452763
where:
bonds (distance) C4'-P energy: -34.358
bonds (distance) P-C4' energy: -44.841
flat angles C4'-P-C4' energy: -43.063
flat angles P-C4'-P energy: -37.749
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -234.740840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.740840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.740840 (E_RNA)
where:
Base-Base interactions energy: -93.161
where: short stacking energy: -73.123
Base-Backbone interact. energy: 4.925
local terms energy: -146.504875
where:
bonds (distance) C4'-P energy: -46.799
bonds (distance) P-C4' energy: -40.373
flat angles C4'-P-C4' energy: -35.999
flat angles P-C4'-P energy: -22.177
tors. eta vs tors. theta energy: -1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -206.005820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.005820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.005820 (E_RNA)
where:
Base-Base interactions energy: -75.966
where: short stacking energy: -59.864
Base-Backbone interact. energy: 1.266
local terms energy: -131.306219
where:
bonds (distance) C4'-P energy: -46.772
bonds (distance) P-C4' energy: -42.696
flat angles C4'-P-C4' energy: -38.797
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: 10.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -865.968871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.968871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.968871 (E_RNA)
where:
Base-Base interactions energy: -624.261
where: short stacking energy: -228.424
Base-Backbone interact. energy: -1.810
local terms energy: -239.898407
where:
bonds (distance) C4'-P energy: -48.390
bonds (distance) P-C4' energy: -52.667
flat angles C4'-P-C4' energy: -56.479
flat angles P-C4'-P energy: -31.181
tors. eta vs tors. theta energy: -51.182
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: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -813.722993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.722993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.722993 (E_RNA)
where:
Base-Base interactions energy: -564.708
where: short stacking energy: -245.190
Base-Backbone interact. energy: -1.680
local terms energy: -247.335143
where:
bonds (distance) C4'-P energy: -44.359
bonds (distance) P-C4' energy: -51.157
flat angles C4'-P-C4' energy: -52.189
flat angles P-C4'-P energy: -34.660
tors. eta vs tors. theta energy: -64.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -807.382525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.382525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.382525 (E_RNA)
where:
Base-Base interactions energy: -565.122
where: short stacking energy: -237.418
Base-Backbone interact. energy: -0.353
local terms energy: -241.907243
where:
bonds (distance) C4'-P energy: -49.821
bonds (distance) P-C4' energy: -41.881
flat angles C4'-P-C4' energy: -58.715
flat angles P-C4'-P energy: -28.521
tors. eta vs tors. theta energy: -62.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -747.144467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.144467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.144467 (E_RNA)
where:
Base-Base interactions energy: -503.749
where: short stacking energy: -240.673
Base-Backbone interact. energy: -0.615
local terms energy: -242.780485
where:
bonds (distance) C4'-P energy: -45.753
bonds (distance) P-C4' energy: -43.251
flat angles C4'-P-C4' energy: -46.249
flat angles P-C4'-P energy: -37.140
tors. eta vs tors. theta energy: -70.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -747.757559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.757559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.757559 (E_RNA)
where:
Base-Base interactions energy: -527.512
where: short stacking energy: -202.386
Base-Backbone interact. energy: -1.744
local terms energy: -218.502377
where:
bonds (distance) C4'-P energy: -31.995
bonds (distance) P-C4' energy: -50.412
flat angles C4'-P-C4' energy: -40.925
flat angles P-C4'-P energy: -28.059
tors. eta vs tors. theta energy: -67.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -687.602007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.602007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.602007 (E_RNA)
where:
Base-Base interactions energy: -465.864
where: short stacking energy: -204.936
Base-Backbone interact. energy: -0.293
local terms energy: -221.445860
where:
bonds (distance) C4'-P energy: -48.008
bonds (distance) P-C4' energy: -36.588
flat angles C4'-P-C4' energy: -50.861
flat angles P-C4'-P energy: -36.096
tors. eta vs tors. theta energy: -49.893
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: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -643.277151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.277151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.277151 (E_RNA)
where:
Base-Base interactions energy: -427.985
where: short stacking energy: -191.345
Base-Backbone interact. energy: 0.453
local terms energy: -215.744500
where:
bonds (distance) C4'-P energy: -43.250
bonds (distance) P-C4' energy: -47.056
flat angles C4'-P-C4' energy: -46.339
flat angles P-C4'-P energy: -37.487
tors. eta vs tors. theta energy: -41.613
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: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -384.274657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.274657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.274657 (E_RNA)
where:
Base-Base interactions energy: -215.808
where: short stacking energy: -126.090
Base-Backbone interact. energy: -0.971
local terms energy: -167.495871
where:
bonds (distance) C4'-P energy: -30.458
bonds (distance) P-C4' energy: -35.553
flat angles C4'-P-C4' energy: -49.479
flat angles P-C4'-P energy: -28.899
tors. eta vs tors. theta energy: -23.106
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: 3
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -297.367137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.367137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.367137 (E_RNA)
where:
Base-Base interactions energy: -141.608
where: short stacking energy: -97.706
Base-Backbone interact. energy: -0.372
local terms energy: -155.387682
where:
bonds (distance) C4'-P energy: -36.447
bonds (distance) P-C4' energy: -46.744
flat angles C4'-P-C4' energy: -33.915
flat angles P-C4'-P energy: -21.964
tors. eta vs tors. theta energy: -16.317
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: 7
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -239.706339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.706339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.706339 (E_RNA)
where:
Base-Base interactions energy: -91.751
where: short stacking energy: -81.473
Base-Backbone interact. energy: -0.264
local terms energy: -147.692031
where:
bonds (distance) C4'-P energy: -43.667
bonds (distance) P-C4' energy: -38.554
flat angles C4'-P-C4' energy: -37.440
flat angles P-C4'-P energy: -25.524
tors. eta vs tors. theta energy: -2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -872.972655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.972655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.972655 (E_RNA)
where:
Base-Base interactions energy: -630.330
where: short stacking energy: -236.968
Base-Backbone interact. energy: -1.669
local terms energy: -240.973571
where:
bonds (distance) C4'-P energy: -50.445
bonds (distance) P-C4' energy: -43.640
flat angles C4'-P-C4' energy: -54.421
flat angles P-C4'-P energy: -36.755
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: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -829.362571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.362571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.362571 (E_RNA)
where:
Base-Base interactions energy: -571.752
where: short stacking energy: -250.739
Base-Backbone interact. energy: -0.745
local terms energy: -256.866025
where:
bonds (distance) C4'-P energy: -41.692
bonds (distance) P-C4' energy: -51.200
flat angles C4'-P-C4' energy: -53.407
flat angles P-C4'-P energy: -40.339
tors. eta vs tors. theta energy: -70.229
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: 3, replica: 1
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -756.539057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.539057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.539057 (E_RNA)
where:
Base-Base interactions energy: -507.529
where: short stacking energy: -242.823
Base-Backbone interact. energy: -1.117
local terms energy: -247.893140
where:
bonds (distance) C4'-P energy: -49.912
bonds (distance) P-C4' energy: -38.514
flat angles C4'-P-C4' energy: -50.011
flat angles P-C4'-P energy: -36.297
tors. eta vs tors. theta energy: -73.159
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: 4, replica: 10
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -797.723510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.723510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.723510 (E_RNA)
where:
Base-Base interactions energy: -557.900
where: short stacking energy: -239.612
Base-Backbone interact. energy: -1.524
local terms energy: -238.300062
where:
bonds (distance) C4'-P energy: -47.867
bonds (distance) P-C4' energy: -42.781
flat angles C4'-P-C4' energy: -51.111
flat angles P-C4'-P energy: -37.288
tors. eta vs tors. theta energy: -59.253
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: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -719.251738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.251738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.251738 (E_RNA)
where:
Base-Base interactions energy: -484.256
where: short stacking energy: -209.434
Base-Backbone interact. energy: -1.741
local terms energy: -233.253931
where:
bonds (distance) C4'-P energy: -40.521
bonds (distance) P-C4' energy: -45.177
flat angles C4'-P-C4' energy: -50.606
flat angles P-C4'-P energy: -34.433
tors. eta vs tors. theta energy: -62.517
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: 6, replica: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -688.309842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.309842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.309842 (E_RNA)
where:
Base-Base interactions energy: -463.746
where: short stacking energy: -216.104
Base-Backbone interact. energy: -0.787
local terms energy: -223.776323
where:
bonds (distance) C4'-P energy: -42.221
bonds (distance) P-C4' energy: -47.571
flat angles C4'-P-C4' energy: -42.884
flat angles P-C4'-P energy: -26.315
tors. eta vs tors. theta energy: -64.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -657.119238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.119238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.119238 (E_RNA)
where:
Base-Base interactions energy: -432.289
where: short stacking energy: -183.744
Base-Backbone interact. energy: 1.433
local terms energy: -226.262979
where:
bonds (distance) C4'-P energy: -45.489
bonds (distance) P-C4' energy: -51.691
flat angles C4'-P-C4' energy: -45.760
flat angles P-C4'-P energy: -38.893
tors. eta vs tors. theta energy: -44.430
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: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -372.909691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.909691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.909691 (E_RNA)
where:
Base-Base interactions energy: -195.281
where: short stacking energy: -95.406
Base-Backbone interact. energy: 0.269
local terms energy: -177.898453
where:
bonds (distance) C4'-P energy: -46.142
bonds (distance) P-C4' energy: -44.339
flat angles C4'-P-C4' energy: -48.041
flat angles P-C4'-P energy: -32.027
tors. eta vs tors. theta energy: -7.348
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: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -303.988681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.988681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.988681 (E_RNA)
where:
Base-Base interactions energy: -162.262
where: short stacking energy: -90.197
Base-Backbone interact. energy: -1.463
local terms energy: -140.263646
where:
bonds (distance) C4'-P energy: -34.691
bonds (distance) P-C4' energy: -46.704
flat angles C4'-P-C4' energy: -38.195
flat angles P-C4'-P energy: -23.862
tors. eta vs tors. theta energy: 3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -229.473345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.473345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.473345 (E_RNA)
where:
Base-Base interactions energy: -82.598
where: short stacking energy: -58.625
Base-Backbone interact. energy: 2.431
local terms energy: -149.306976
where:
bonds (distance) C4'-P energy: -47.381
bonds (distance) P-C4' energy: -52.615
flat angles C4'-P-C4' energy: -32.415
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: 0.026
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: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -861.156040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.156040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.156040 (E_RNA)
where:
Base-Base interactions energy: -617.976
where: short stacking energy: -238.511
Base-Backbone interact. energy: -3.212
local terms energy: -239.968947
where:
bonds (distance) C4'-P energy: -53.231
bonds (distance) P-C4' energy: -39.746
flat angles C4'-P-C4' energy: -51.680
flat angles P-C4'-P energy: -38.375
tors. eta vs tors. theta energy: -56.937
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: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -807.916004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.916004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.916004 (E_RNA)
where:
Base-Base interactions energy: -546.519
where: short stacking energy: -242.970
Base-Backbone interact. energy: 0.513
local terms energy: -261.910212
where:
bonds (distance) C4'-P energy: -49.797
bonds (distance) P-C4' energy: -47.520
flat angles C4'-P-C4' energy: -53.790
flat angles P-C4'-P energy: -42.306
tors. eta vs tors. theta energy: -68.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -780.105019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.105019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.105019 (E_RNA)
where:
Base-Base interactions energy: -530.917
where: short stacking energy: -249.177
Base-Backbone interact. energy: 1.110
local terms energy: -250.298598
where:
bonds (distance) C4'-P energy: -44.695
bonds (distance) P-C4' energy: -43.117
flat angles C4'-P-C4' energy: -52.571
flat angles P-C4'-P energy: -36.317
tors. eta vs tors. theta energy: -73.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -786.108054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.108054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.108054 (E_RNA)
where:
Base-Base interactions energy: -552.097
where: short stacking energy: -239.857
Base-Backbone interact. energy: -0.657
local terms energy: -233.354593
where:
bonds (distance) C4'-P energy: -39.532
bonds (distance) P-C4' energy: -47.687
flat angles C4'-P-C4' energy: -48.415
flat angles P-C4'-P energy: -33.074
tors. eta vs tors. theta energy: -64.647
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: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -711.899744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.899744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.899744 (E_RNA)
where:
Base-Base interactions energy: -484.803
where: short stacking energy: -213.738
Base-Backbone interact. energy: -0.644
local terms energy: -226.452254
where:
bonds (distance) C4'-P energy: -39.774
bonds (distance) P-C4' energy: -39.108
flat angles C4'-P-C4' energy: -47.002
flat angles P-C4'-P energy: -38.875
tors. eta vs tors. theta energy: -61.694
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: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -674.032901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.032901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.032901 (E_RNA)
where:
Base-Base interactions energy: -458.753
where: short stacking energy: -187.240
Base-Backbone interact. energy: 1.685
local terms energy: -216.964270
where:
bonds (distance) C4'-P energy: -30.004
bonds (distance) P-C4' energy: -49.483
flat angles C4'-P-C4' energy: -49.808
flat angles P-C4'-P energy: -33.248
tors. eta vs tors. theta energy: -54.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -666.400471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.400471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.400471 (E_RNA)
where:
Base-Base interactions energy: -469.964
where: short stacking energy: -202.028
Base-Backbone interact. energy: -0.293
local terms energy: -196.142773
where:
bonds (distance) C4'-P energy: -35.893
bonds (distance) P-C4' energy: -37.523
flat angles C4'-P-C4' energy: -41.464
flat angles P-C4'-P energy: -28.267
tors. eta vs tors. theta energy: -52.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -364.913873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.913873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.913873 (E_RNA)
where:
Base-Base interactions energy: -192.936
where: short stacking energy: -102.600
Base-Backbone interact. energy: 1.106
local terms energy: -173.084364
where:
bonds (distance) C4'-P energy: -43.314
bonds (distance) P-C4' energy: -47.452
flat angles C4'-P-C4' energy: -42.618
flat angles P-C4'-P energy: -23.731
tors. eta vs tors. theta energy: -15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -312.070189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.070189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.070189 (E_RNA)
where:
Base-Base interactions energy: -164.303
where: short stacking energy: -82.352
Base-Backbone interact. energy: -1.557
local terms energy: -146.210205
where:
bonds (distance) C4'-P energy: -41.913
bonds (distance) P-C4' energy: -45.425
flat angles C4'-P-C4' energy: -45.048
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -4.127
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: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -223.380603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.380603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.380603 (E_RNA)
where:
Base-Base interactions energy: -92.931
where: short stacking energy: -71.958
Base-Backbone interact. energy: 0.887
local terms energy: -131.337462
where:
bonds (distance) C4'-P energy: -41.743
bonds (distance) P-C4' energy: -43.475
flat angles C4'-P-C4' energy: -31.392
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: 1.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -848.718167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.718167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.718167 (E_RNA)
where:
Base-Base interactions energy: -619.192
where: short stacking energy: -224.515
Base-Backbone interact. energy: -0.486
local terms energy: -229.039935
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -48.884
flat angles C4'-P-C4' energy: -52.147
flat angles P-C4'-P energy: -36.637
tors. eta vs tors. theta energy: -47.258
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: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -804.107173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.107173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.107173 (E_RNA)
where:
Base-Base interactions energy: -542.717
where: short stacking energy: -235.627
Base-Backbone interact. energy: -2.073
local terms energy: -259.317018
where:
bonds (distance) C4'-P energy: -50.266
bonds (distance) P-C4' energy: -47.971
flat angles C4'-P-C4' energy: -51.905
flat angles P-C4'-P energy: -37.145
tors. eta vs tors. theta energy: -72.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -771.473770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.473770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.473770 (E_RNA)
where:
Base-Base interactions energy: -519.641
where: short stacking energy: -237.237
Base-Backbone interact. energy: -0.403
local terms energy: -251.430104
where:
bonds (distance) C4'-P energy: -48.726
bonds (distance) P-C4' energy: -44.978
flat angles C4'-P-C4' energy: -50.418
flat angles P-C4'-P energy: -39.141
tors. eta vs tors. theta energy: -68.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -777.319797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.319797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.319797 (E_RNA)
where:
Base-Base interactions energy: -544.212
where: short stacking energy: -222.195
Base-Backbone interact. energy: -1.637
local terms energy: -231.470756
where:
bonds (distance) C4'-P energy: -38.513
bonds (distance) P-C4' energy: -48.213
flat angles C4'-P-C4' energy: -54.943
flat angles P-C4'-P energy: -36.114
tors. eta vs tors. theta energy: -53.688
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: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -725.582801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.582801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.582801 (E_RNA)
where:
Base-Base interactions energy: -495.642
where: short stacking energy: -210.006
Base-Backbone interact. energy: -0.605
local terms energy: -229.336378
where:
bonds (distance) C4'-P energy: -45.960
bonds (distance) P-C4' energy: -44.740
flat angles C4'-P-C4' energy: -45.354
flat angles P-C4'-P energy: -34.316
tors. eta vs tors. theta energy: -58.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -715.328569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.328569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.328569 (E_RNA)
where:
Base-Base interactions energy: -478.832
where: short stacking energy: -213.776
Base-Backbone interact. energy: -1.524
local terms energy: -234.972287
where:
bonds (distance) C4'-P energy: -44.202
bonds (distance) P-C4' energy: -46.458
flat angles C4'-P-C4' energy: -50.807
flat angles P-C4'-P energy: -31.216
tors. eta vs tors. theta energy: -62.289
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: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -699.206814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.206814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.206814 (E_RNA)
where:
Base-Base interactions energy: -476.341
where: short stacking energy: -224.529
Base-Backbone interact. energy: 1.626
local terms energy: -224.491252
where:
bonds (distance) C4'-P energy: -37.391
bonds (distance) P-C4' energy: -40.923
flat angles C4'-P-C4' energy: -51.137
flat angles P-C4'-P energy: -32.966
tors. eta vs tors. theta energy: -62.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -366.021310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.021310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.021310 (E_RNA)
where:
Base-Base interactions energy: -197.168
where: short stacking energy: -100.537
Base-Backbone interact. energy: -0.097
local terms energy: -168.756267
where:
bonds (distance) C4'-P energy: -38.139
bonds (distance) P-C4' energy: -47.603
flat angles C4'-P-C4' energy: -36.753
flat angles P-C4'-P energy: -30.394
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -358.796946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.796946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.796946 (E_RNA)
where:
Base-Base interactions energy: -191.505
where: short stacking energy: -102.389
Base-Backbone interact. energy: 0.174
local terms energy: -167.465103
where:
bonds (distance) C4'-P energy: -49.375
bonds (distance) P-C4' energy: -45.262
flat angles C4'-P-C4' energy: -37.970
flat angles P-C4'-P energy: -23.486
tors. eta vs tors. theta energy: -11.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -227.056224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.056224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.056224 (E_RNA)
where:
Base-Base interactions energy: -99.133
where: short stacking energy: -66.156
Base-Backbone interact. energy: 0.597
local terms energy: -128.520590
where:
bonds (distance) C4'-P energy: -37.566
bonds (distance) P-C4' energy: -39.709
flat angles C4'-P-C4' energy: -34.094
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: 5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -862.792970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.792970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.792970 (E_RNA)
where:
Base-Base interactions energy: -615.438
where: short stacking energy: -242.853
Base-Backbone interact. energy: -1.811
local terms energy: -245.543504
where:
bonds (distance) C4'-P energy: -51.747
bonds (distance) P-C4' energy: -46.796
flat angles C4'-P-C4' energy: -52.613
flat angles P-C4'-P energy: -36.646
tors. eta vs tors. theta energy: -57.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -816.871286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.871286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.871286 (E_RNA)
where:
Base-Base interactions energy: -562.001
where: short stacking energy: -248.817
Base-Backbone interact. energy: -0.094
local terms energy: -254.776514
where:
bonds (distance) C4'-P energy: -43.517
bonds (distance) P-C4' energy: -50.609
flat angles C4'-P-C4' energy: -55.164
flat angles P-C4'-P energy: -31.250
tors. eta vs tors. theta energy: -74.237
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: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -765.133716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.133716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.133716 (E_RNA)
where:
Base-Base interactions energy: -516.995
where: short stacking energy: -239.572
Base-Backbone interact. energy: -0.230
local terms energy: -247.908420
where:
bonds (distance) C4'-P energy: -43.615
bonds (distance) P-C4' energy: -46.463
flat angles C4'-P-C4' energy: -56.406
flat angles P-C4'-P energy: -34.441
tors. eta vs tors. theta energy: -66.984
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: 4, replica: 10
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -791.452464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.452464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.452464 (E_RNA)
where:
Base-Base interactions energy: -569.734
where: short stacking energy: -230.456
Base-Backbone interact. energy: 2.261
local terms energy: -223.979787
where:
bonds (distance) C4'-P energy: -43.109
bonds (distance) P-C4' energy: -37.462
flat angles C4'-P-C4' energy: -53.928
flat angles P-C4'-P energy: -32.502
tors. eta vs tors. theta energy: -56.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -712.775813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.775813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.775813 (E_RNA)
where:
Base-Base interactions energy: -491.393
where: short stacking energy: -222.365
Base-Backbone interact. energy: -0.391
local terms energy: -220.991645
where:
bonds (distance) C4'-P energy: -37.251
bonds (distance) P-C4' energy: -43.952
flat angles C4'-P-C4' energy: -46.585
flat angles P-C4'-P energy: -37.163
tors. eta vs tors. theta energy: -56.041
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: 2
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -734.041474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.041474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.041474 (E_RNA)
where:
Base-Base interactions energy: -501.334
where: short stacking energy: -210.406
Base-Backbone interact. energy: -1.548
local terms energy: -231.159765
where:
bonds (distance) C4'-P energy: -39.092
bonds (distance) P-C4' energy: -49.231
flat angles C4'-P-C4' energy: -48.888
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: -67.881
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: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -703.504943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.504943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.504943 (E_RNA)
where:
Base-Base interactions energy: -494.798
where: short stacking energy: -201.371
Base-Backbone interact. energy: -2.675
local terms energy: -206.031289
where:
bonds (distance) C4'-P energy: -40.700
bonds (distance) P-C4' energy: -42.175
flat angles C4'-P-C4' energy: -34.701
flat angles P-C4'-P energy: -32.426
tors. eta vs tors. theta energy: -56.028
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: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -415.426888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.426888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.426888 (E_RNA)
where:
Base-Base interactions energy: -233.201
where: short stacking energy: -113.334
Base-Backbone interact. energy: -0.232
local terms energy: -181.993881
where:
bonds (distance) C4'-P energy: -41.377
bonds (distance) P-C4' energy: -49.613
flat angles C4'-P-C4' energy: -36.498
flat angles P-C4'-P energy: -30.431
tors. eta vs tors. theta energy: -24.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -329.272436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.272436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.272436 (E_RNA)
where:
Base-Base interactions energy: -170.134
where: short stacking energy: -94.483
Base-Backbone interact. energy: -1.841
local terms energy: -157.297267
where:
bonds (distance) C4'-P energy: -41.918
bonds (distance) P-C4' energy: -38.126
flat angles C4'-P-C4' energy: -43.146
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -14.420
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: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -209.255233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.255233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.255233 (E_RNA)
where:
Base-Base interactions energy: -80.927
where: short stacking energy: -69.953
Base-Backbone interact. energy: -1.242
local terms energy: -127.085788
where:
bonds (distance) C4'-P energy: -34.905
bonds (distance) P-C4' energy: -41.060
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -34.810
tors. eta vs tors. theta energy: 6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -823.915702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.915702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.915702 (E_RNA)
where:
Base-Base interactions energy: -559.705
where: short stacking energy: -249.748
Base-Backbone interact. energy: -0.691
local terms energy: -263.519989
where:
bonds (distance) C4'-P energy: -46.095
bonds (distance) P-C4' energy: -44.140
flat angles C4'-P-C4' energy: -61.229
flat angles P-C4'-P energy: -37.973
tors. eta vs tors. theta energy: -74.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -856.199690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.199690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.199690 (E_RNA)
where:
Base-Base interactions energy: -610.616
where: short stacking energy: -228.012
Base-Backbone interact. energy: -0.568
local terms energy: -245.015320
where:
bonds (distance) C4'-P energy: -50.965
bonds (distance) P-C4' energy: -48.052
flat angles C4'-P-C4' energy: -54.785
flat angles P-C4'-P energy: -31.366
tors. eta vs tors. theta energy: -59.847
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: 3, replica: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -832.173318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.173318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.173318 (E_RNA)
where:
Base-Base interactions energy: -577.011
where: short stacking energy: -241.523
Base-Backbone interact. energy: -1.056
local terms energy: -254.106480
where:
bonds (distance) C4'-P energy: -48.175
bonds (distance) P-C4' energy: -48.909
flat angles C4'-P-C4' energy: -61.757
flat angles P-C4'-P energy: -38.603
tors. eta vs tors. theta energy: -56.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -758.990730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.990730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.990730 (E_RNA)
where:
Base-Base interactions energy: -514.434
where: short stacking energy: -226.342
Base-Backbone interact. energy: -1.351
local terms energy: -243.206151
where:
bonds (distance) C4'-P energy: -48.239
bonds (distance) P-C4' energy: -45.444
flat angles C4'-P-C4' energy: -45.514
flat angles P-C4'-P energy: -34.674
tors. eta vs tors. theta energy: -69.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -742.548771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.548771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.548771 (E_RNA)
where:
Base-Base interactions energy: -516.076
where: short stacking energy: -229.812
Base-Backbone interact. energy: -0.638
local terms energy: -225.834774
where:
bonds (distance) C4'-P energy: -33.069
bonds (distance) P-C4' energy: -47.372
flat angles C4'-P-C4' energy: -46.104
flat angles P-C4'-P energy: -33.525
tors. eta vs tors. theta energy: -65.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -691.898600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.898600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.898600 (E_RNA)
where:
Base-Base interactions energy: -490.914
where: short stacking energy: -208.510
Base-Backbone interact. energy: -0.251
local terms energy: -200.733784
where:
bonds (distance) C4'-P energy: -51.928
bonds (distance) P-C4' energy: -30.965
flat angles C4'-P-C4' energy: -41.401
flat angles P-C4'-P energy: -20.863
tors. eta vs tors. theta energy: -55.576
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: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -693.299559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.299559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.299559 (E_RNA)
where:
Base-Base interactions energy: -480.589
where: short stacking energy: -200.952
Base-Backbone interact. energy: -0.830
local terms energy: -211.880382
where:
bonds (distance) C4'-P energy: -37.596
bonds (distance) P-C4' energy: -41.102
flat angles C4'-P-C4' energy: -38.718
flat angles P-C4'-P energy: -27.684
tors. eta vs tors. theta energy: -66.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -418.402649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.402649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.402649 (E_RNA)
where:
Base-Base interactions energy: -244.138
where: short stacking energy: -120.881
Base-Backbone interact. energy: 0.184
local terms energy: -174.448967
where:
bonds (distance) C4'-P energy: -44.404
bonds (distance) P-C4' energy: -38.053
flat angles C4'-P-C4' energy: -38.222
flat angles P-C4'-P energy: -30.552
tors. eta vs tors. theta energy: -23.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -343.673626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.673626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.673626 (E_RNA)
where:
Base-Base interactions energy: -168.505
where: short stacking energy: -91.199
Base-Backbone interact. energy: -0.845
local terms energy: -174.323992
where:
bonds (distance) C4'-P energy: -39.170
bonds (distance) P-C4' energy: -42.760
flat angles C4'-P-C4' energy: -44.583
flat angles P-C4'-P energy: -29.662
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -220.049026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.049026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.049026 (E_RNA)
where:
Base-Base interactions energy: -95.695
where: short stacking energy: -85.926
Base-Backbone interact. energy: -0.447
local terms energy: -123.907736
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -47.645
flat angles C4'-P-C4' energy: -30.151
flat angles P-C4'-P energy: -20.190
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -821.054698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.054698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.054698 (E_RNA)
where:
Base-Base interactions energy: -564.133
where: short stacking energy: -238.888
Base-Backbone interact. energy: -0.702
local terms energy: -256.220226
where:
bonds (distance) C4'-P energy: -50.713
bonds (distance) P-C4' energy: -45.444
flat angles C4'-P-C4' energy: -59.050
flat angles P-C4'-P energy: -33.724
tors. eta vs tors. theta energy: -67.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -867.924397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.924397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.924397 (E_RNA)
where:
Base-Base interactions energy: -614.189
where: short stacking energy: -233.019
Base-Backbone interact. energy: -0.727
local terms energy: -253.007915
where:
bonds (distance) C4'-P energy: -49.836
bonds (distance) P-C4' energy: -52.789
flat angles C4'-P-C4' energy: -50.255
flat angles P-C4'-P energy: -36.532
tors. eta vs tors. theta energy: -63.596
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: 10
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -837.036377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.036377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.036377 (E_RNA)
where:
Base-Base interactions energy: -581.476
where: short stacking energy: -235.573
Base-Backbone interact. energy: -1.028
local terms energy: -254.532662
where:
bonds (distance) C4'-P energy: -50.667
bonds (distance) P-C4' energy: -43.462
flat angles C4'-P-C4' energy: -59.537
flat angles P-C4'-P energy: -39.842
tors. eta vs tors. theta energy: -61.025
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: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -797.586403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.586403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.586403 (E_RNA)
where:
Base-Base interactions energy: -548.593
where: short stacking energy: -245.868
Base-Backbone interact. energy: -0.500
local terms energy: -248.493116
where:
bonds (distance) C4'-P energy: -41.496
bonds (distance) P-C4' energy: -53.740
flat angles C4'-P-C4' energy: -50.092
flat angles P-C4'-P energy: -35.695
tors. eta vs tors. theta energy: -67.470
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: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -736.339712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.339712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.339712 (E_RNA)
where:
Base-Base interactions energy: -500.748
where: short stacking energy: -234.373
Base-Backbone interact. energy: -0.109
local terms energy: -235.482040
where:
bonds (distance) C4'-P energy: -45.575
bonds (distance) P-C4' energy: -44.453
flat angles C4'-P-C4' energy: -50.087
flat angles P-C4'-P energy: -31.009
tors. eta vs tors. theta energy: -64.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -686.097438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.097438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.097438 (E_RNA)
where:
Base-Base interactions energy: -471.054
where: short stacking energy: -204.752
Base-Backbone interact. energy: -0.247
local terms energy: -214.796176
where:
bonds (distance) C4'-P energy: -31.705
bonds (distance) P-C4' energy: -46.178
flat angles C4'-P-C4' energy: -46.756
flat angles P-C4'-P energy: -35.562
tors. eta vs tors. theta energy: -54.596
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: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -668.267470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.267470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.267470 (E_RNA)
where:
Base-Base interactions energy: -448.167
where: short stacking energy: -202.720
Base-Backbone interact. energy: -2.862
local terms energy: -217.238633
where:
bonds (distance) C4'-P energy: -38.155
bonds (distance) P-C4' energy: -45.670
flat angles C4'-P-C4' energy: -51.336
flat angles P-C4'-P energy: -30.305
tors. eta vs tors. theta energy: -51.771
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: 3
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -431.564223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.564223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.564223 (E_RNA)
where:
Base-Base interactions energy: -241.973
where: short stacking energy: -123.470
Base-Backbone interact. energy: -0.979
local terms energy: -188.612272
where:
bonds (distance) C4'-P energy: -39.006
bonds (distance) P-C4' energy: -35.922
flat angles C4'-P-C4' energy: -53.123
flat angles P-C4'-P energy: -31.636
tors. eta vs tors. theta energy: -28.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -341.404189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.404189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.404189 (E_RNA)
where:
Base-Base interactions energy: -174.824
where: short stacking energy: -101.214
Base-Backbone interact. energy: 4.384
local terms energy: -170.964132
where:
bonds (distance) C4'-P energy: -42.922
bonds (distance) P-C4' energy: -48.395
flat angles C4'-P-C4' energy: -41.660
flat angles P-C4'-P energy: -24.531
tors. eta vs tors. theta energy: -13.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -211.047582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.047582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.047582 (E_RNA)
where:
Base-Base interactions energy: -93.460
where: short stacking energy: -69.843
Base-Backbone interact. energy: -0.849
local terms energy: -116.738892
where:
bonds (distance) C4'-P energy: -40.283
bonds (distance) P-C4' energy: -30.898
flat angles C4'-P-C4' energy: -31.506
flat angles P-C4'-P energy: -23.339
tors. eta vs tors. theta energy: 9.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -846.803815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.803815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.803815 (E_RNA)
where:
Base-Base interactions energy: -588.431
where: short stacking energy: -236.333
Base-Backbone interact. energy: -2.307
local terms energy: -256.065741
where:
bonds (distance) C4'-P energy: -46.589
bonds (distance) P-C4' energy: -50.172
flat angles C4'-P-C4' energy: -52.793
flat angles P-C4'-P energy: -38.400
tors. eta vs tors. theta energy: -68.112
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: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -828.191767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.191767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.191767 (E_RNA)
where:
Base-Base interactions energy: -605.894
where: short stacking energy: -227.205
Base-Backbone interact. energy: -0.657
local terms energy: -221.640793
where:
bonds (distance) C4'-P energy: -42.706
bonds (distance) P-C4' energy: -47.137
flat angles C4'-P-C4' energy: -48.473
flat angles P-C4'-P energy: -32.414
tors. eta vs tors. theta energy: -50.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -814.630692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.630692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.630692 (E_RNA)
where:
Base-Base interactions energy: -566.149
where: short stacking energy: -253.127
Base-Backbone interact. energy: 0.343
local terms energy: -248.824037
where:
bonds (distance) C4'-P energy: -43.312
bonds (distance) P-C4' energy: -44.198
flat angles C4'-P-C4' energy: -50.645
flat angles P-C4'-P energy: -37.371
tors. eta vs tors. theta energy: -73.298
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: 444
Temperature: 1.050000
Total energy: -803.314025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.314025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.314025 (E_RNA)
where:
Base-Base interactions energy: -553.206
where: short stacking energy: -241.511
Base-Backbone interact. energy: -3.035
local terms energy: -247.072749
where:
bonds (distance) C4'-P energy: -46.658
bonds (distance) P-C4' energy: -45.218
flat angles C4'-P-C4' energy: -55.846
flat angles P-C4'-P energy: -34.372
tors. eta vs tors. theta energy: -64.978
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: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -770.492368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.492368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.492368 (E_RNA)
where:
Base-Base interactions energy: -527.089
where: short stacking energy: -242.641
Base-Backbone interact. energy: -0.771
local terms energy: -242.632384
where:
bonds (distance) C4'-P energy: -44.333
bonds (distance) P-C4' energy: -41.715
flat angles C4'-P-C4' energy: -55.054
flat angles P-C4'-P energy: -33.441
tors. eta vs tors. theta energy: -68.089
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: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -710.852527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.852527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.852527 (E_RNA)
where:
Base-Base interactions energy: -504.067
where: short stacking energy: -210.504
Base-Backbone interact. energy: -0.518
local terms energy: -206.268427
where:
bonds (distance) C4'-P energy: -37.245
bonds (distance) P-C4' energy: -45.279
flat angles C4'-P-C4' energy: -38.588
flat angles P-C4'-P energy: -29.155
tors. eta vs tors. theta energy: -56.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -650.594853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.594853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.594853 (E_RNA)
where:
Base-Base interactions energy: -430.782
where: short stacking energy: -182.173
Base-Backbone interact. energy: -0.231
local terms energy: -219.581852
where:
bonds (distance) C4'-P energy: -47.737
bonds (distance) P-C4' energy: -48.864
flat angles C4'-P-C4' energy: -50.259
flat angles P-C4'-P energy: -26.135
tors. eta vs tors. theta energy: -46.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -433.911936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.911936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.911936 (E_RNA)
where:
Base-Base interactions energy: -266.982
where: short stacking energy: -119.189
Base-Backbone interact. energy: -1.886
local terms energy: -165.044096
where:
bonds (distance) C4'-P energy: -38.320
bonds (distance) P-C4' energy: -41.670
flat angles C4'-P-C4' energy: -41.377
flat angles P-C4'-P energy: -20.926
tors. eta vs tors. theta energy: -22.750
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: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -355.922010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.922010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.922010 (E_RNA)
where:
Base-Base interactions energy: -216.933
where: short stacking energy: -130.085
Base-Backbone interact. energy: 4.279
local terms energy: -143.268424
where:
bonds (distance) C4'-P energy: -34.227
bonds (distance) P-C4' energy: -35.872
flat angles C4'-P-C4' energy: -34.862
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -230.181031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.181031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.181031 (E_RNA)
where:
Base-Base interactions energy: -108.202
where: short stacking energy: -70.229
Base-Backbone interact. energy: 4.237
local terms energy: -126.216025
where:
bonds (distance) C4'-P energy: -42.238
bonds (distance) P-C4' energy: -34.913
flat angles C4'-P-C4' energy: -35.028
flat angles P-C4'-P energy: -19.149
tors. eta vs tors. theta energy: 5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -850.562472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.562472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.562472 (E_RNA)
where:
Base-Base interactions energy: -591.373
where: short stacking energy: -245.795
Base-Backbone interact. energy: -2.351
local terms energy: -256.838946
where:
bonds (distance) C4'-P energy: -42.034
bonds (distance) P-C4' energy: -51.814
flat angles C4'-P-C4' energy: -53.189
flat angles P-C4'-P energy: -37.411
tors. eta vs tors. theta energy: -72.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -810.751983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.751983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.751983 (E_RNA)
where:
Base-Base interactions energy: -551.942
where: short stacking energy: -231.658
Base-Backbone interact. energy: 1.171
local terms energy: -259.981204
where:
bonds (distance) C4'-P energy: -48.224
bonds (distance) P-C4' energy: -47.262
flat angles C4'-P-C4' energy: -56.396
flat angles P-C4'-P energy: -44.163
tors. eta vs tors. theta energy: -63.936
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: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -811.917437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.917437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.917437 (E_RNA)
where:
Base-Base interactions energy: -577.135
where: short stacking energy: -226.879
Base-Backbone interact. energy: -0.373
local terms energy: -234.409624
where:
bonds (distance) C4'-P energy: -39.477
bonds (distance) P-C4' energy: -48.856
flat angles C4'-P-C4' energy: -50.162
flat angles P-C4'-P energy: -38.318
tors. eta vs tors. theta energy: -57.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -800.474351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.474351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.474351 (E_RNA)
where:
Base-Base interactions energy: -567.783
where: short stacking energy: -244.197
Base-Backbone interact. energy: -4.709
local terms energy: -227.982853
where:
bonds (distance) C4'-P energy: -34.984
bonds (distance) P-C4' energy: -50.278
flat angles C4'-P-C4' energy: -45.397
flat angles P-C4'-P energy: -32.523
tors. eta vs tors. theta energy: -64.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -787.861941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.861941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.861941 (E_RNA)
where:
Base-Base interactions energy: -529.678
where: short stacking energy: -231.058
Base-Backbone interact. energy: -0.629
local terms energy: -257.555842
where:
bonds (distance) C4'-P energy: -49.529
bonds (distance) P-C4' energy: -46.389
flat angles C4'-P-C4' energy: -51.438
flat angles P-C4'-P energy: -38.798
tors. eta vs tors. theta energy: -71.401
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: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -673.580173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.580173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.580173 (E_RNA)
where:
Base-Base interactions energy: -461.943
where: short stacking energy: -194.912
Base-Backbone interact. energy: -0.240
local terms energy: -211.396739
where:
bonds (distance) C4'-P energy: -39.249
bonds (distance) P-C4' energy: -43.562
flat angles C4'-P-C4' energy: -53.647
flat angles P-C4'-P energy: -31.907
tors. eta vs tors. theta energy: -43.032
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: 7, replica: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -708.160277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.160277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.160277 (E_RNA)
where:
Base-Base interactions energy: -488.912
where: short stacking energy: -194.277
Base-Backbone interact. energy: -2.050
local terms energy: -217.198823
where:
bonds (distance) C4'-P energy: -44.051
bonds (distance) P-C4' energy: -44.685
flat angles C4'-P-C4' energy: -52.371
flat angles P-C4'-P energy: -26.669
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: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -473.329851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.329851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.329851 (E_RNA)
where:
Base-Base interactions energy: -287.145
where: short stacking energy: -142.080
Base-Backbone interact. energy: -0.844
local terms energy: -185.340887
where:
bonds (distance) C4'-P energy: -32.182
bonds (distance) P-C4' energy: -46.025
flat angles C4'-P-C4' energy: -46.762
flat angles P-C4'-P energy: -34.355
tors. eta vs tors. theta energy: -26.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -359.022498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.022498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.022498 (E_RNA)
where:
Base-Base interactions energy: -187.814
where: short stacking energy: -93.950
Base-Backbone interact. energy: 0.390
local terms energy: -171.598579
where:
bonds (distance) C4'-P energy: -41.438
bonds (distance) P-C4' energy: -42.722
flat angles C4'-P-C4' energy: -44.124
flat angles P-C4'-P energy: -25.272
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -222.370348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.370348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.370348 (E_RNA)
where:
Base-Base interactions energy: -78.628
where: short stacking energy: -71.226
Base-Backbone interact. energy: -0.619
local terms energy: -143.123152
where:
bonds (distance) C4'-P energy: -34.207
bonds (distance) P-C4' energy: -49.205
flat angles C4'-P-C4' energy: -31.168
flat angles P-C4'-P energy: -24.633
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -850.812405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.812405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.812405 (E_RNA)
where:
Base-Base interactions energy: -599.010
where: short stacking energy: -248.180
Base-Backbone interact. energy: -1.500
local terms energy: -250.303181
where:
bonds (distance) C4'-P energy: -53.493
bonds (distance) P-C4' energy: -48.670
flat angles C4'-P-C4' energy: -47.000
flat angles P-C4'-P energy: -37.116
tors. eta vs tors. theta energy: -64.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -827.101578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.101578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.101578 (E_RNA)
where:
Base-Base interactions energy: -577.340
where: short stacking energy: -242.608
Base-Backbone interact. energy: -1.258
local terms energy: -248.504423
where:
bonds (distance) C4'-P energy: -36.276
bonds (distance) P-C4' energy: -49.492
flat angles C4'-P-C4' energy: -52.184
flat angles P-C4'-P energy: -44.112
tors. eta vs tors. theta energy: -66.440
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: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -820.500413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.500413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.500413 (E_RNA)
where:
Base-Base interactions energy: -586.546
where: short stacking energy: -226.350
Base-Backbone interact. energy: 1.942
local terms energy: -235.896433
where:
bonds (distance) C4'-P energy: -39.825
bonds (distance) P-C4' energy: -49.930
flat angles C4'-P-C4' energy: -47.163
flat angles P-C4'-P energy: -36.526
tors. eta vs tors. theta energy: -62.452
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: 10
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -806.542580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.542580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.542580 (E_RNA)
where:
Base-Base interactions energy: -568.952
where: short stacking energy: -230.783
Base-Backbone interact. energy: -2.096
local terms energy: -235.495028
where:
bonds (distance) C4'-P energy: -45.127
bonds (distance) P-C4' energy: -49.190
flat angles C4'-P-C4' energy: -43.574
flat angles P-C4'-P energy: -37.738
tors. eta vs tors. theta energy: -59.865
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: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -756.571183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.571183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.571183 (E_RNA)
where:
Base-Base interactions energy: -527.445
where: short stacking energy: -229.898
Base-Backbone interact. energy: -0.453
local terms energy: -228.672609
where:
bonds (distance) C4'-P energy: -36.332
bonds (distance) P-C4' energy: -45.582
flat angles C4'-P-C4' energy: -43.184
flat angles P-C4'-P energy: -32.344
tors. eta vs tors. theta energy: -71.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -675.449630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.449630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.449630 (E_RNA)
where:
Base-Base interactions energy: -457.437
where: short stacking energy: -203.745
Base-Backbone interact. energy: -0.473
local terms energy: -217.539377
where:
bonds (distance) C4'-P energy: -35.270
bonds (distance) P-C4' energy: -50.089
flat angles C4'-P-C4' energy: -45.460
flat angles P-C4'-P energy: -32.103
tors. eta vs tors. theta energy: -54.617
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: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -692.775003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.775003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.775003 (E_RNA)
where:
Base-Base interactions energy: -484.230
where: short stacking energy: -196.779
Base-Backbone interact. energy: -0.999
local terms energy: -207.546682
where:
bonds (distance) C4'-P energy: -47.705
bonds (distance) P-C4' energy: -37.802
flat angles C4'-P-C4' energy: -44.531
flat angles P-C4'-P energy: -31.120
tors. eta vs tors. theta energy: -46.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -475.540380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.540380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.540380 (E_RNA)
where:
Base-Base interactions energy: -310.151
where: short stacking energy: -175.660
Base-Backbone interact. energy: 5.997
local terms energy: -171.386884
where:
bonds (distance) C4'-P energy: -44.000
bonds (distance) P-C4' energy: -30.540
flat angles C4'-P-C4' energy: -33.751
flat angles P-C4'-P energy: -29.077
tors. eta vs tors. theta energy: -34.020
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: 9, replica: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -353.452930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.452930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.452930 (E_RNA)
where:
Base-Base interactions energy: -196.409
where: short stacking energy: -115.977
Base-Backbone interact. energy: 0.303
local terms energy: -157.347397
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -42.472
flat angles C4'-P-C4' energy: -44.688
flat angles P-C4'-P energy: -25.144
tors. eta vs tors. theta energy: -26.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -247.369043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.369043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.369043 (E_RNA)
where:
Base-Base interactions energy: -99.415
where: short stacking energy: -74.783
Base-Backbone interact. energy: -0.756
local terms energy: -147.198599
where:
bonds (distance) C4'-P energy: -43.596
bonds (distance) P-C4' energy: -45.720
flat angles C4'-P-C4' energy: -37.972
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -840.662369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.662369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.662369 (E_RNA)
where:
Base-Base interactions energy: -576.083
where: short stacking energy: -243.475
Base-Backbone interact. energy: -1.801
local terms energy: -262.778022
where:
bonds (distance) C4'-P energy: -54.745
bonds (distance) P-C4' energy: -46.866
flat angles C4'-P-C4' energy: -57.707
flat angles P-C4'-P energy: -37.548
tors. eta vs tors. theta energy: -65.912
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: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -827.767619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.767619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.767619 (E_RNA)
where:
Base-Base interactions energy: -591.251
where: short stacking energy: -235.718
Base-Backbone interact. energy: -1.796
local terms energy: -234.721094
where:
bonds (distance) C4'-P energy: -50.125
bonds (distance) P-C4' energy: -45.793
flat angles C4'-P-C4' energy: -52.190
flat angles P-C4'-P energy: -37.837
tors. eta vs tors. theta energy: -48.775
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: 447
Temperature: 1.000000
Total energy: -808.128257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.128257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.128257 (E_RNA)
where:
Base-Base interactions energy: -562.623
where: short stacking energy: -244.057
Base-Backbone interact. energy: -0.178
local terms energy: -245.327374
where:
bonds (distance) C4'-P energy: -44.432
bonds (distance) P-C4' energy: -49.091
flat angles C4'-P-C4' energy: -49.208
flat angles P-C4'-P energy: -38.717
tors. eta vs tors. theta energy: -63.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -794.265541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.265541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.265541 (E_RNA)
where:
Base-Base interactions energy: -554.071
where: short stacking energy: -226.920
Base-Backbone interact. energy: -0.818
local terms energy: -239.375984
where:
bonds (distance) C4'-P energy: -44.187
bonds (distance) P-C4' energy: -48.353
flat angles C4'-P-C4' energy: -51.383
flat angles P-C4'-P energy: -39.204
tors. eta vs tors. theta energy: -56.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -750.924491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.924491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.924491 (E_RNA)
where:
Base-Base interactions energy: -519.930
where: short stacking energy: -247.518
Base-Backbone interact. energy: 1.957
local terms energy: -232.950844
where:
bonds (distance) C4'-P energy: -40.305
bonds (distance) P-C4' energy: -39.700
flat angles C4'-P-C4' energy: -54.820
flat angles P-C4'-P energy: -31.031
tors. eta vs tors. theta energy: -67.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -731.140204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.140204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.140204 (E_RNA)
where:
Base-Base interactions energy: -497.271
where: short stacking energy: -218.095
Base-Backbone interact. energy: -1.286
local terms energy: -232.583869
where:
bonds (distance) C4'-P energy: -43.446
bonds (distance) P-C4' energy: -45.231
flat angles C4'-P-C4' energy: -49.550
flat angles P-C4'-P energy: -32.221
tors. eta vs tors. theta energy: -62.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -657.648260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.648260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.648260 (E_RNA)
where:
Base-Base interactions energy: -449.794
where: short stacking energy: -185.327
Base-Backbone interact. energy: -1.984
local terms energy: -205.870659
where:
bonds (distance) C4'-P energy: -43.680
bonds (distance) P-C4' energy: -48.468
flat angles C4'-P-C4' energy: -38.376
flat angles P-C4'-P energy: -32.521
tors. eta vs tors. theta energy: -42.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -474.776406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.776406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.776406 (E_RNA)
where:
Base-Base interactions energy: -287.915
where: short stacking energy: -142.251
Base-Backbone interact. energy: -0.647
local terms energy: -186.214608
where:
bonds (distance) C4'-P energy: -45.464
bonds (distance) P-C4' energy: -39.323
flat angles C4'-P-C4' energy: -40.897
flat angles P-C4'-P energy: -31.436
tors. eta vs tors. theta energy: -29.095
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: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -355.285147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.285147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.285147 (E_RNA)
where:
Base-Base interactions energy: -192.532
where: short stacking energy: -110.749
Base-Backbone interact. energy: 0.270
local terms energy: -163.024063
where:
bonds (distance) C4'-P energy: -45.776
bonds (distance) P-C4' energy: -38.929
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -25.319
tors. eta vs tors. theta energy: -16.352
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: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -232.670262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.670262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.670262 (E_RNA)
where:
Base-Base interactions energy: -74.509
where: short stacking energy: -72.432
Base-Backbone interact. energy: 1.535
local terms energy: -159.696271
where:
bonds (distance) C4'-P energy: -42.109
bonds (distance) P-C4' energy: -46.044
flat angles C4'-P-C4' energy: -41.748
flat angles P-C4'-P energy: -29.905
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: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -843.847882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.847882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.847882 (E_RNA)
where:
Base-Base interactions energy: -611.707
where: short stacking energy: -240.891
Base-Backbone interact. energy: -1.342
local terms energy: -230.798714
where:
bonds (distance) C4'-P energy: -51.410
bonds (distance) P-C4' energy: -41.046
flat angles C4'-P-C4' energy: -47.061
flat angles P-C4'-P energy: -33.942
tors. eta vs tors. theta energy: -57.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -815.771137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.771137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.771137 (E_RNA)
where:
Base-Base interactions energy: -577.111
where: short stacking energy: -241.834
Base-Backbone interact. energy: -1.698
local terms energy: -236.962145
where:
bonds (distance) C4'-P energy: -44.350
bonds (distance) P-C4' energy: -39.314
flat angles C4'-P-C4' energy: -49.209
flat angles P-C4'-P energy: -35.930
tors. eta vs tors. theta energy: -68.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -808.573420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.573420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.573420 (E_RNA)
where:
Base-Base interactions energy: -569.101
where: short stacking energy: -235.992
Base-Backbone interact. energy: 1.280
local terms energy: -240.751662
where:
bonds (distance) C4'-P energy: -47.149
bonds (distance) P-C4' energy: -45.013
flat angles C4'-P-C4' energy: -47.041
flat angles P-C4'-P energy: -34.346
tors. eta vs tors. theta energy: -67.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -777.189080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.189080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.189080 (E_RNA)
where:
Base-Base interactions energy: -544.583
where: short stacking energy: -227.908
Base-Backbone interact. energy: 0.345
local terms energy: -232.951193
where:
bonds (distance) C4'-P energy: -42.860
bonds (distance) P-C4' energy: -43.225
flat angles C4'-P-C4' energy: -45.814
flat angles P-C4'-P energy: -39.675
tors. eta vs tors. theta energy: -61.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -766.857164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.857164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.857164 (E_RNA)
where:
Base-Base interactions energy: -531.031
where: short stacking energy: -234.345
Base-Backbone interact. energy: -0.124
local terms energy: -235.702348
where:
bonds (distance) C4'-P energy: -36.957
bonds (distance) P-C4' energy: -42.448
flat angles C4'-P-C4' energy: -52.518
flat angles P-C4'-P energy: -32.126
tors. eta vs tors. theta energy: -71.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -726.792349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.792349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.792349 (E_RNA)
where:
Base-Base interactions energy: -488.289
where: short stacking energy: -216.882
Base-Backbone interact. energy: 0.118
local terms energy: -238.621688
where:
bonds (distance) C4'-P energy: -43.884
bonds (distance) P-C4' energy: -40.140
flat angles C4'-P-C4' energy: -55.872
flat angles P-C4'-P energy: -34.757
tors. eta vs tors. theta energy: -63.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -655.117799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.117799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.117799 (E_RNA)
where:
Base-Base interactions energy: -443.267
where: short stacking energy: -203.956
Base-Backbone interact. energy: -2.319
local terms energy: -209.532382
where:
bonds (distance) C4'-P energy: -41.336
bonds (distance) P-C4' energy: -47.401
flat angles C4'-P-C4' energy: -51.173
flat angles P-C4'-P energy: -24.257
tors. eta vs tors. theta energy: -45.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -510.639063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.639063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.639063 (E_RNA)
where:
Base-Base interactions energy: -304.137
where: short stacking energy: -132.286
Base-Backbone interact. energy: 2.318
local terms energy: -208.819621
where:
bonds (distance) C4'-P energy: -41.720
bonds (distance) P-C4' energy: -47.642
flat angles C4'-P-C4' energy: -47.995
flat angles P-C4'-P energy: -41.419
tors. eta vs tors. theta energy: -30.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -379.023033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.023033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.023033 (E_RNA)
where:
Base-Base interactions energy: -217.092
where: short stacking energy: -105.421
Base-Backbone interact. energy: -1.324
local terms energy: -160.606447
where:
bonds (distance) C4'-P energy: -35.331
bonds (distance) P-C4' energy: -36.478
flat angles C4'-P-C4' energy: -45.929
flat angles P-C4'-P energy: -20.879
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -214.249006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.249006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.249006 (E_RNA)
where:
Base-Base interactions energy: -77.940
where: short stacking energy: -79.040
Base-Backbone interact. energy: 1.526
local terms energy: -137.835908
where:
bonds (distance) C4'-P energy: -29.430
bonds (distance) P-C4' energy: -47.298
flat angles C4'-P-C4' energy: -40.323
flat angles P-C4'-P energy: -25.371
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: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -866.907045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.907045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.907045 (E_RNA)
where:
Base-Base interactions energy: -628.568
where: short stacking energy: -238.066
Base-Backbone interact. energy: -1.184
local terms energy: -237.154877
where:
bonds (distance) C4'-P energy: -46.479
bonds (distance) P-C4' energy: -43.698
flat angles C4'-P-C4' energy: -51.958
flat angles P-C4'-P energy: -33.633
tors. eta vs tors. theta energy: -61.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -851.787767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.787767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.787767 (E_RNA)
where:
Base-Base interactions energy: -602.944
where: short stacking energy: -258.143
Base-Backbone interact. energy: -2.299
local terms energy: -246.544022
where:
bonds (distance) C4'-P energy: -47.783
bonds (distance) P-C4' energy: -41.106
flat angles C4'-P-C4' energy: -54.701
flat angles P-C4'-P energy: -35.792
tors. eta vs tors. theta energy: -67.162
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: 6
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -795.550283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.550283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.550283 (E_RNA)
where:
Base-Base interactions energy: -549.930
where: short stacking energy: -218.687
Base-Backbone interact. energy: -2.033
local terms energy: -243.587453
where:
bonds (distance) C4'-P energy: -48.577
bonds (distance) P-C4' energy: -47.081
flat angles C4'-P-C4' energy: -55.584
flat angles P-C4'-P energy: -31.954
tors. eta vs tors. theta energy: -60.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -810.066915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.066915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.066915 (E_RNA)
where:
Base-Base interactions energy: -561.087
where: short stacking energy: -241.756
Base-Backbone interact. energy: -0.558
local terms energy: -248.421302
where:
bonds (distance) C4'-P energy: -42.475
bonds (distance) P-C4' energy: -48.907
flat angles C4'-P-C4' energy: -55.622
flat angles P-C4'-P energy: -33.211
tors. eta vs tors. theta energy: -68.207
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: 5, replica: 5
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -729.639143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.639143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.639143 (E_RNA)
where:
Base-Base interactions energy: -500.498
where: short stacking energy: -201.507
Base-Backbone interact. energy: -0.610
local terms energy: -228.530496
where:
bonds (distance) C4'-P energy: -43.213
bonds (distance) P-C4' energy: -36.128
flat angles C4'-P-C4' energy: -54.426
flat angles P-C4'-P energy: -33.149
tors. eta vs tors. theta energy: -61.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -734.715662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.715662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.715662 (E_RNA)
where:
Base-Base interactions energy: -515.648
where: short stacking energy: -215.308
Base-Backbone interact. energy: 0.438
local terms energy: -219.505415
where:
bonds (distance) C4'-P energy: -39.848
bonds (distance) P-C4' energy: -43.192
flat angles C4'-P-C4' energy: -47.863
flat angles P-C4'-P energy: -30.759
tors. eta vs tors. theta energy: -57.844
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: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -652.576599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.576599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.576599 (E_RNA)
where:
Base-Base interactions energy: -435.607
where: short stacking energy: -184.284
Base-Backbone interact. energy: -0.322
local terms energy: -216.648063
where:
bonds (distance) C4'-P energy: -38.394
bonds (distance) P-C4' energy: -43.091
flat angles C4'-P-C4' energy: -48.863
flat angles P-C4'-P energy: -32.440
tors. eta vs tors. theta energy: -53.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -521.399317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.399317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.399317 (E_RNA)
where:
Base-Base interactions energy: -346.591
where: short stacking energy: -142.854
Base-Backbone interact. energy: 0.485
local terms energy: -175.293443
where:
bonds (distance) C4'-P energy: -39.960
bonds (distance) P-C4' energy: -35.955
flat angles C4'-P-C4' energy: -50.835
flat angles P-C4'-P energy: -23.560
tors. eta vs tors. theta energy: -24.984
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: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -339.177474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.177474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.177474 (E_RNA)
where:
Base-Base interactions energy: -204.278
where: short stacking energy: -96.866
Base-Backbone interact. energy: 3.684
local terms energy: -138.582650
where:
bonds (distance) C4'-P energy: -32.439
bonds (distance) P-C4' energy: -45.405
flat angles C4'-P-C4' energy: -31.587
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -12.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -204.343104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.343104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.343104 (E_RNA)
where:
Base-Base interactions energy: -62.192
where: short stacking energy: -54.773
Base-Backbone interact. energy: 1.270
local terms energy: -143.420396
where:
bonds (distance) C4'-P energy: -40.451
bonds (distance) P-C4' energy: -41.716
flat angles C4'-P-C4' energy: -37.614
flat angles P-C4'-P energy: -28.440
tors. eta vs tors. theta energy: 4.801
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: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -853.494743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.494743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.494743 (E_RNA)
where:
Base-Base interactions energy: -605.356
where: short stacking energy: -224.743
Base-Backbone interact. energy: -0.569
local terms energy: -247.569565
where:
bonds (distance) C4'-P energy: -48.177
bonds (distance) P-C4' energy: -52.317
flat angles C4'-P-C4' energy: -55.946
flat angles P-C4'-P energy: -37.997
tors. eta vs tors. theta energy: -53.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -836.732396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.732396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.732396 (E_RNA)
where:
Base-Base interactions energy: -584.683
where: short stacking energy: -248.134
Base-Backbone interact. energy: 0.938
local terms energy: -252.986630
where:
bonds (distance) C4'-P energy: -41.709
bonds (distance) P-C4' energy: -52.511
flat angles C4'-P-C4' energy: -49.016
flat angles P-C4'-P energy: -41.830
tors. eta vs tors. theta energy: -67.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -812.214512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.214512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.214512 (E_RNA)
where:
Base-Base interactions energy: -563.721
where: short stacking energy: -228.564
Base-Backbone interact. energy: -2.378
local terms energy: -246.115163
where:
bonds (distance) C4'-P energy: -51.699
bonds (distance) P-C4' energy: -39.496
flat angles C4'-P-C4' energy: -54.556
flat angles P-C4'-P energy: -36.950
tors. eta vs tors. theta energy: -63.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -790.928265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.928265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.928265 (E_RNA)
where:
Base-Base interactions energy: -541.204
where: short stacking energy: -240.019
Base-Backbone interact. energy: -2.279
local terms energy: -247.445080
where:
bonds (distance) C4'-P energy: -50.362
bonds (distance) P-C4' energy: -48.300
flat angles C4'-P-C4' energy: -52.017
flat angles P-C4'-P energy: -32.115
tors. eta vs tors. theta energy: -64.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -733.567198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.567198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.567198 (E_RNA)
where:
Base-Base interactions energy: -509.886
where: short stacking energy: -214.387
Base-Backbone interact. energy: -2.396
local terms energy: -221.285328
where:
bonds (distance) C4'-P energy: -41.791
bonds (distance) P-C4' energy: -46.268
flat angles C4'-P-C4' energy: -47.784
flat angles P-C4'-P energy: -27.253
tors. eta vs tors. theta energy: -58.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -740.197839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.197839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.197839 (E_RNA)
where:
Base-Base interactions energy: -497.056
where: short stacking energy: -223.601
Base-Backbone interact. energy: -2.001
local terms energy: -241.140134
where:
bonds (distance) C4'-P energy: -42.077
bonds (distance) P-C4' energy: -39.929
flat angles C4'-P-C4' energy: -45.777
flat angles P-C4'-P energy: -41.942
tors. eta vs tors. theta energy: -71.416
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: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -671.651648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.651648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.651648 (E_RNA)
where:
Base-Base interactions energy: -451.293
where: short stacking energy: -209.482
Base-Backbone interact. energy: 2.390
local terms energy: -222.748495
where:
bonds (distance) C4'-P energy: -44.084
bonds (distance) P-C4' energy: -37.087
flat angles C4'-P-C4' energy: -48.719
flat angles P-C4'-P energy: -40.804
tors. eta vs tors. theta energy: -52.055
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: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -613.148528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.148528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.148528 (E_RNA)
where:
Base-Base interactions energy: -412.220
where: short stacking energy: -182.886
Base-Backbone interact. energy: -0.977
local terms energy: -199.951508
where:
bonds (distance) C4'-P energy: -27.046
bonds (distance) P-C4' energy: -43.957
flat angles C4'-P-C4' energy: -50.265
flat angles P-C4'-P energy: -33.795
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: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -351.132431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.132431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.132431 (E_RNA)
where:
Base-Base interactions energy: -189.159
where: short stacking energy: -108.386
Base-Backbone interact. energy: -0.693
local terms energy: -161.280962
where:
bonds (distance) C4'-P energy: -40.474
bonds (distance) P-C4' energy: -47.553
flat angles C4'-P-C4' energy: -33.143
flat angles P-C4'-P energy: -21.463
tors. eta vs tors. theta energy: -18.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -221.792842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.792842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.792842 (E_RNA)
where:
Base-Base interactions energy: -84.278
where: short stacking energy: -69.207
Base-Backbone interact. energy: 3.414
local terms energy: -140.929290
where:
bonds (distance) C4'-P energy: -43.236
bonds (distance) P-C4' energy: -36.364
flat angles C4'-P-C4' energy: -40.163
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -868.043809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.043809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.043809 (E_RNA)
where:
Base-Base interactions energy: -619.933
where: short stacking energy: -239.814
Base-Backbone interact. energy: -1.586
local terms energy: -246.524821
where:
bonds (distance) C4'-P energy: -42.888
bonds (distance) P-C4' energy: -56.394
flat angles C4'-P-C4' energy: -52.024
flat angles P-C4'-P energy: -31.442
tors. eta vs tors. theta energy: -63.776
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: 451
Temperature: 0.950000
Total energy: -826.027930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.027930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.027930 (E_RNA)
where:
Base-Base interactions energy: -563.375
where: short stacking energy: -252.557
Base-Backbone interact. energy: -1.152
local terms energy: -261.500439
where:
bonds (distance) C4'-P energy: -43.563
bonds (distance) P-C4' energy: -56.040
flat angles C4'-P-C4' energy: -54.790
flat angles P-C4'-P energy: -32.856
tors. eta vs tors. theta energy: -74.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -819.759859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.759859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.759859 (E_RNA)
where:
Base-Base interactions energy: -569.557
where: short stacking energy: -243.697
Base-Backbone interact. energy: 0.115
local terms energy: -250.317354
where:
bonds (distance) C4'-P energy: -44.945
bonds (distance) P-C4' energy: -55.411
flat angles C4'-P-C4' energy: -47.486
flat angles P-C4'-P energy: -41.121
tors. eta vs tors. theta energy: -61.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -742.149018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.149018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.149018 (E_RNA)
where:
Base-Base interactions energy: -508.238
where: short stacking energy: -201.112
Base-Backbone interact. energy: -2.375
local terms energy: -231.536026
where:
bonds (distance) C4'-P energy: -47.209
bonds (distance) P-C4' energy: -41.588
flat angles C4'-P-C4' energy: -50.795
flat angles P-C4'-P energy: -36.164
tors. eta vs tors. theta energy: -55.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -756.217422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.217422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.217422 (E_RNA)
where:
Base-Base interactions energy: -525.961
where: short stacking energy: -214.202
Base-Backbone interact. energy: -1.764
local terms energy: -228.491995
where:
bonds (distance) C4'-P energy: -48.451
bonds (distance) P-C4' energy: -45.378
flat angles C4'-P-C4' energy: -46.783
flat angles P-C4'-P energy: -22.680
tors. eta vs tors. theta energy: -65.199
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: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -740.001987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.001987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.001987 (E_RNA)
where:
Base-Base interactions energy: -517.488
where: short stacking energy: -230.419
Base-Backbone interact. energy: -1.042
local terms energy: -221.472194
where:
bonds (distance) C4'-P energy: -40.379
bonds (distance) P-C4' energy: -41.109
flat angles C4'-P-C4' energy: -41.483
flat angles P-C4'-P energy: -30.521
tors. eta vs tors. theta energy: -67.980
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: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -698.231868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.231868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.231868 (E_RNA)
where:
Base-Base interactions energy: -481.037
where: short stacking energy: -220.580
Base-Backbone interact. energy: -2.065
local terms energy: -215.129757
where:
bonds (distance) C4'-P energy: -42.643
bonds (distance) P-C4' energy: -43.492
flat angles C4'-P-C4' energy: -40.925
flat angles P-C4'-P energy: -30.676
tors. eta vs tors. theta energy: -57.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -626.928249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.928249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.928249 (E_RNA)
where:
Base-Base interactions energy: -423.327
where: short stacking energy: -181.238
Base-Backbone interact. energy: -0.860
local terms energy: -202.741826
where:
bonds (distance) C4'-P energy: -45.761
bonds (distance) P-C4' energy: -41.033
flat angles C4'-P-C4' energy: -39.701
flat angles P-C4'-P energy: -23.937
tors. eta vs tors. theta energy: -52.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -367.045881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.045881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.045881 (E_RNA)
where:
Base-Base interactions energy: -219.026
where: short stacking energy: -119.529
Base-Backbone interact. energy: -1.174
local terms energy: -146.845171
where:
bonds (distance) C4'-P energy: -30.054
bonds (distance) P-C4' energy: -45.788
flat angles C4'-P-C4' energy: -44.295
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -13.937
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: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -213.277233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.277233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.277233 (E_RNA)
where:
Base-Base interactions energy: -73.526
where: short stacking energy: -73.037
Base-Backbone interact. energy: 0.277
local terms energy: -140.028166
where:
bonds (distance) C4'-P energy: -44.619
bonds (distance) P-C4' energy: -45.411
flat angles C4'-P-C4' energy: -30.126
flat angles P-C4'-P energy: -22.835
tors. eta vs tors. theta energy: 2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -842.492630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.492630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.492630 (E_RNA)
where:
Base-Base interactions energy: -608.810
where: short stacking energy: -238.888
Base-Backbone interact. energy: -1.619
local terms energy: -232.063406
where:
bonds (distance) C4'-P energy: -36.841
bonds (distance) P-C4' energy: -49.429
flat angles C4'-P-C4' energy: -54.875
flat angles P-C4'-P energy: -37.656
tors. eta vs tors. theta energy: -53.263
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: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -830.531457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.531457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.531457 (E_RNA)
where:
Base-Base interactions energy: -567.893
where: short stacking energy: -250.305
Base-Backbone interact. energy: -1.620
local terms energy: -261.018847
where:
bonds (distance) C4'-P energy: -51.758
bonds (distance) P-C4' energy: -45.946
flat angles C4'-P-C4' energy: -54.352
flat angles P-C4'-P energy: -38.636
tors. eta vs tors. theta energy: -70.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -814.026478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.026478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.026478 (E_RNA)
where:
Base-Base interactions energy: -583.030
where: short stacking energy: -246.173
Base-Backbone interact. energy: -0.750
local terms energy: -230.246407
where:
bonds (distance) C4'-P energy: -43.440
bonds (distance) P-C4' energy: -39.749
flat angles C4'-P-C4' energy: -47.719
flat angles P-C4'-P energy: -39.483
tors. eta vs tors. theta energy: -59.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -779.076891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.076891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.076891 (E_RNA)
where:
Base-Base interactions energy: -548.573
where: short stacking energy: -224.876
Base-Backbone interact. energy: -0.664
local terms energy: -229.840371
where:
bonds (distance) C4'-P energy: -36.899
bonds (distance) P-C4' energy: -45.309
flat angles C4'-P-C4' energy: -51.145
flat angles P-C4'-P energy: -33.561
tors. eta vs tors. theta energy: -62.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -775.071701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.071701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.071701 (E_RNA)
where:
Base-Base interactions energy: -538.745
where: short stacking energy: -225.325
Base-Backbone interact. energy: 2.595
local terms energy: -238.921558
where:
bonds (distance) C4'-P energy: -51.621
bonds (distance) P-C4' energy: -52.627
flat angles C4'-P-C4' energy: -48.804
flat angles P-C4'-P energy: -26.167
tors. eta vs tors. theta energy: -59.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -710.490068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.490068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.490068 (E_RNA)
where:
Base-Base interactions energy: -481.636
where: short stacking energy: -225.092
Base-Backbone interact. energy: -0.748
local terms energy: -228.106760
where:
bonds (distance) C4'-P energy: -48.537
bonds (distance) P-C4' energy: -41.660
flat angles C4'-P-C4' energy: -43.957
flat angles P-C4'-P energy: -31.314
tors. eta vs tors. theta energy: -62.639
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: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -659.061151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.061151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.061151 (E_RNA)
where:
Base-Base interactions energy: -445.942
where: short stacking energy: -202.817
Base-Backbone interact. energy: -0.149
local terms energy: -212.970508
where:
bonds (distance) C4'-P energy: -41.214
bonds (distance) P-C4' energy: -46.414
flat angles C4'-P-C4' energy: -48.770
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: -53.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -598.762682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.762682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.762682 (E_RNA)
where:
Base-Base interactions energy: -399.707
where: short stacking energy: -175.503
Base-Backbone interact. energy: -0.649
local terms energy: -198.406949
where:
bonds (distance) C4'-P energy: -38.709
bonds (distance) P-C4' energy: -43.055
flat angles C4'-P-C4' energy: -38.709
flat angles P-C4'-P energy: -29.624
tors. eta vs tors. theta energy: -48.310
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: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -403.331797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.331797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.331797 (E_RNA)
where:
Base-Base interactions energy: -230.002
where: short stacking energy: -113.872
Base-Backbone interact. energy: -3.001
local terms energy: -170.328198
where:
bonds (distance) C4'-P energy: -40.977
bonds (distance) P-C4' energy: -41.013
flat angles C4'-P-C4' energy: -41.633
flat angles P-C4'-P energy: -25.663
tors. eta vs tors. theta energy: -21.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -232.571524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.571524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.571524 (E_RNA)
where:
Base-Base interactions energy: -105.998
where: short stacking energy: -88.528
Base-Backbone interact. energy: 1.124
local terms energy: -127.698094
where:
bonds (distance) C4'-P energy: -33.295
bonds (distance) P-C4' energy: -36.073
flat angles C4'-P-C4' energy: -38.966
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -6.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -845.992041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.992041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.992041 (E_RNA)
where:
Base-Base interactions energy: -609.212
where: short stacking energy: -224.611
Base-Backbone interact. energy: -2.483
local terms energy: -234.297578
where:
bonds (distance) C4'-P energy: -51.065
bonds (distance) P-C4' energy: -50.012
flat angles C4'-P-C4' energy: -49.867
flat angles P-C4'-P energy: -30.397
tors. eta vs tors. theta energy: -52.957
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: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -850.732871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.732871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.732871 (E_RNA)
where:
Base-Base interactions energy: -593.180
where: short stacking energy: -259.713
Base-Backbone interact. energy: -0.193
local terms energy: -257.359636
where:
bonds (distance) C4'-P energy: -48.387
bonds (distance) P-C4' energy: -51.168
flat angles C4'-P-C4' energy: -52.566
flat angles P-C4'-P energy: -35.713
tors. eta vs tors. theta energy: -69.526
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: 6
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -808.214458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.214458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.214458 (E_RNA)
where:
Base-Base interactions energy: -558.611
where: short stacking energy: -242.452
Base-Backbone interact. energy: -2.098
local terms energy: -247.504862
where:
bonds (distance) C4'-P energy: -46.748
bonds (distance) P-C4' energy: -46.601
flat angles C4'-P-C4' energy: -50.172
flat angles P-C4'-P energy: -34.645
tors. eta vs tors. theta energy: -69.339
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: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -802.585346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.585346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.585346 (E_RNA)
where:
Base-Base interactions energy: -564.798
where: short stacking energy: -238.593
Base-Backbone interact. energy: 0.630
local terms energy: -238.417493
where:
bonds (distance) C4'-P energy: -42.735
bonds (distance) P-C4' energy: -53.511
flat angles C4'-P-C4' energy: -52.631
flat angles P-C4'-P energy: -34.669
tors. eta vs tors. theta energy: -54.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -757.204480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.204480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.204480 (E_RNA)
where:
Base-Base interactions energy: -519.616
where: short stacking energy: -223.370
Base-Backbone interact. energy: -2.688
local terms energy: -234.900143
where:
bonds (distance) C4'-P energy: -35.678
bonds (distance) P-C4' energy: -51.398
flat angles C4'-P-C4' energy: -50.827
flat angles P-C4'-P energy: -26.472
tors. eta vs tors. theta energy: -70.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -699.235982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.235982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.235982 (E_RNA)
where:
Base-Base interactions energy: -467.804
where: short stacking energy: -221.321
Base-Backbone interact. energy: -1.695
local terms energy: -229.736520
where:
bonds (distance) C4'-P energy: -42.399
bonds (distance) P-C4' energy: -45.099
flat angles C4'-P-C4' energy: -49.449
flat angles P-C4'-P energy: -39.102
tors. eta vs tors. theta energy: -53.688
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: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -686.155527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.155527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.155527 (E_RNA)
where:
Base-Base interactions energy: -460.138
where: short stacking energy: -200.840
Base-Backbone interact. energy: -0.117
local terms energy: -225.900750
where:
bonds (distance) C4'-P energy: -40.600
bonds (distance) P-C4' energy: -45.639
flat angles C4'-P-C4' energy: -47.885
flat angles P-C4'-P energy: -38.590
tors. eta vs tors. theta energy: -53.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -614.402714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.402714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.402714 (E_RNA)
where:
Base-Base interactions energy: -405.838
where: short stacking energy: -170.728
Base-Backbone interact. energy: -2.028
local terms energy: -206.536824
where:
bonds (distance) C4'-P energy: -32.836
bonds (distance) P-C4' energy: -47.313
flat angles C4'-P-C4' energy: -49.866
flat angles P-C4'-P energy: -30.722
tors. eta vs tors. theta energy: -45.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -375.358854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.358854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.358854 (E_RNA)
where:
Base-Base interactions energy: -221.571
where: short stacking energy: -111.427
Base-Backbone interact. energy: 0.174
local terms energy: -153.962286
where:
bonds (distance) C4'-P energy: -43.779
bonds (distance) P-C4' energy: -43.127
flat angles C4'-P-C4' energy: -37.106
flat angles P-C4'-P energy: -25.320
tors. eta vs tors. theta energy: -4.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -216.472093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.472093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.472093 (E_RNA)
where:
Base-Base interactions energy: -80.271
where: short stacking energy: -59.760
Base-Backbone interact. energy: 0.164
local terms energy: -136.365222
where:
bonds (distance) C4'-P energy: -35.529
bonds (distance) P-C4' energy: -46.270
flat angles C4'-P-C4' energy: -43.920
flat angles P-C4'-P energy: -3.410
tors. eta vs tors. theta energy: -7.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -858.359702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.359702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.359702 (E_RNA)
where:
Base-Base interactions energy: -630.446
where: short stacking energy: -226.833
Base-Backbone interact. energy: -1.401
local terms energy: -226.512445
where:
bonds (distance) C4'-P energy: -40.664
bonds (distance) P-C4' energy: -51.910
flat angles C4'-P-C4' energy: -43.164
flat angles P-C4'-P energy: -37.531
tors. eta vs tors. theta energy: -53.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -850.581466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.581466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.581466 (E_RNA)
where:
Base-Base interactions energy: -591.174
where: short stacking energy: -261.054
Base-Backbone interact. energy: -0.920
local terms energy: -258.486798
where:
bonds (distance) C4'-P energy: -52.477
bonds (distance) P-C4' energy: -48.273
flat angles C4'-P-C4' energy: -53.273
flat angles P-C4'-P energy: -37.274
tors. eta vs tors. theta energy: -67.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -812.376033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.376033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.376033 (E_RNA)
where:
Base-Base interactions energy: -573.804
where: short stacking energy: -234.917
Base-Backbone interact. energy: -0.303
local terms energy: -238.269214
where:
bonds (distance) C4'-P energy: -46.407
bonds (distance) P-C4' energy: -55.452
flat angles C4'-P-C4' energy: -48.296
flat angles P-C4'-P energy: -26.560
tors. eta vs tors. theta energy: -61.553
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: 6
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -801.075472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.075472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.075472 (E_RNA)
where:
Base-Base interactions energy: -547.367
where: short stacking energy: -240.191
Base-Backbone interact. energy: -0.333
local terms energy: -253.376209
where:
bonds (distance) C4'-P energy: -42.971
bonds (distance) P-C4' energy: -46.811
flat angles C4'-P-C4' energy: -48.020
flat angles P-C4'-P energy: -36.944
tors. eta vs tors. theta energy: -78.630
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: 5, replica: 5
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -747.932512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.932512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.932512 (E_RNA)
where:
Base-Base interactions energy: -516.411
where: short stacking energy: -208.073
Base-Backbone interact. energy: -1.137
local terms energy: -230.384257
where:
bonds (distance) C4'-P energy: -40.103
bonds (distance) P-C4' energy: -45.958
flat angles C4'-P-C4' energy: -55.006
flat angles P-C4'-P energy: -26.327
tors. eta vs tors. theta energy: -62.990
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: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -711.432167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.432167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.432167 (E_RNA)
where:
Base-Base interactions energy: -486.907
where: short stacking energy: -218.878
Base-Backbone interact. energy: 4.459
local terms energy: -228.984334
where:
bonds (distance) C4'-P energy: -39.216
bonds (distance) P-C4' energy: -37.697
flat angles C4'-P-C4' energy: -50.122
flat angles P-C4'-P energy: -39.267
tors. eta vs tors. theta energy: -62.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -673.916070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.916070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.916070 (E_RNA)
where:
Base-Base interactions energy: -483.124
where: short stacking energy: -211.033
Base-Backbone interact. energy: 0.540
local terms energy: -191.332272
where:
bonds (distance) C4'-P energy: -40.997
bonds (distance) P-C4' energy: -33.947
flat angles C4'-P-C4' energy: -32.198
flat angles P-C4'-P energy: -26.841
tors. eta vs tors. theta energy: -57.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -594.908749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.908749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.908749 (E_RNA)
where:
Base-Base interactions energy: -404.027
where: short stacking energy: -179.481
Base-Backbone interact. energy: 0.192
local terms energy: -191.074004
where:
bonds (distance) C4'-P energy: -33.908
bonds (distance) P-C4' energy: -36.231
flat angles C4'-P-C4' energy: -48.209
flat angles P-C4'-P energy: -31.101
tors. eta vs tors. theta energy: -41.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -378.118400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.118400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.118400 (E_RNA)
where:
Base-Base interactions energy: -219.637
where: short stacking energy: -112.573
Base-Backbone interact. energy: 0.441
local terms energy: -158.923232
where:
bonds (distance) C4'-P energy: -41.125
bonds (distance) P-C4' energy: -44.269
flat angles C4'-P-C4' energy: -26.631
flat angles P-C4'-P energy: -22.707
tors. eta vs tors. theta energy: -24.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -222.171675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.171675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.171675 (E_RNA)
where:
Base-Base interactions energy: -80.601
where: short stacking energy: -77.685
Base-Backbone interact. energy: -2.405
local terms energy: -139.165515
where:
bonds (distance) C4'-P energy: -34.484
bonds (distance) P-C4' energy: -40.741
flat angles C4'-P-C4' energy: -45.146
flat angles P-C4'-P energy: -18.807
tors. eta vs tors. theta energy: 0.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -873.511596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.511596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.511596 (E_RNA)
where:
Base-Base interactions energy: -625.575
where: short stacking energy: -239.852
Base-Backbone interact. energy: -1.760
local terms energy: -246.177244
where:
bonds (distance) C4'-P energy: -46.619
bonds (distance) P-C4' energy: -53.915
flat angles C4'-P-C4' energy: -55.734
flat angles P-C4'-P energy: -37.844
tors. eta vs tors. theta energy: -52.065
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: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -846.895869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.895869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.895869 (E_RNA)
where:
Base-Base interactions energy: -592.929
where: short stacking energy: -256.757
Base-Backbone interact. energy: -0.558
local terms energy: -253.409471
where:
bonds (distance) C4'-P energy: -36.926
bonds (distance) P-C4' energy: -51.867
flat angles C4'-P-C4' energy: -58.897
flat angles P-C4'-P energy: -34.943
tors. eta vs tors. theta energy: -70.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -810.760233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.760233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.760233 (E_RNA)
where:
Base-Base interactions energy: -557.197
where: short stacking energy: -226.174
Base-Backbone interact. energy: -0.922
local terms energy: -252.641320
where:
bonds (distance) C4'-P energy: -51.276
bonds (distance) P-C4' energy: -50.642
flat angles C4'-P-C4' energy: -52.175
flat angles P-C4'-P energy: -39.186
tors. eta vs tors. theta energy: -59.362
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: 455
Temperature: 1.050000
Total energy: -789.187607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.187607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.187607 (E_RNA)
where:
Base-Base interactions energy: -542.756
where: short stacking energy: -226.385
Base-Backbone interact. energy: -3.034
local terms energy: -243.396811
where:
bonds (distance) C4'-P energy: -51.425
bonds (distance) P-C4' energy: -41.880
flat angles C4'-P-C4' energy: -52.824
flat angles P-C4'-P energy: -30.067
tors. eta vs tors. theta energy: -67.200
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: 5, replica: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -728.200033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.200033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.200033 (E_RNA)
where:
Base-Base interactions energy: -503.084
where: short stacking energy: -205.291
Base-Backbone interact. energy: 0.486
local terms energy: -225.601692
where:
bonds (distance) C4'-P energy: -40.939
bonds (distance) P-C4' energy: -47.549
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -30.783
tors. eta vs tors. theta energy: -57.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -698.957756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.957756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.957756 (E_RNA)
where:
Base-Base interactions energy: -465.839
where: short stacking energy: -196.988
Base-Backbone interact. energy: -0.988
local terms energy: -232.130931
where:
bonds (distance) C4'-P energy: -50.479
bonds (distance) P-C4' energy: -44.249
flat angles C4'-P-C4' energy: -42.349
flat angles P-C4'-P energy: -39.626
tors. eta vs tors. theta energy: -55.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -696.874706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.874706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.874706 (E_RNA)
where:
Base-Base interactions energy: -471.850
where: short stacking energy: -209.262
Base-Backbone interact. energy: 0.563
local terms energy: -225.587604
where:
bonds (distance) C4'-P energy: -49.228
bonds (distance) P-C4' energy: -39.145
flat angles C4'-P-C4' energy: -49.873
flat angles P-C4'-P energy: -28.701
tors. eta vs tors. theta energy: -58.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -593.584775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.584775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.584775 (E_RNA)
where:
Base-Base interactions energy: -388.214
where: short stacking energy: -163.490
Base-Backbone interact. energy: -0.670
local terms energy: -204.700673
where:
bonds (distance) C4'-P energy: -41.367
bonds (distance) P-C4' energy: -49.197
flat angles C4'-P-C4' energy: -41.316
flat angles P-C4'-P energy: -32.151
tors. eta vs tors. theta energy: -40.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -346.679893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.679893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.679893 (E_RNA)
where:
Base-Base interactions energy: -197.988
where: short stacking energy: -115.434
Base-Backbone interact. energy: 0.907
local terms energy: -149.598272
where:
bonds (distance) C4'-P energy: -32.620
bonds (distance) P-C4' energy: -44.738
flat angles C4'-P-C4' energy: -34.102
flat angles P-C4'-P energy: -27.781
tors. eta vs tors. theta energy: -10.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -233.619927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.619927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.619927 (E_RNA)
where:
Base-Base interactions energy: -77.234
where: short stacking energy: -77.234
Base-Backbone interact. energy: 3.411
local terms energy: -159.796986
where:
bonds (distance) C4'-P energy: -37.232
bonds (distance) P-C4' energy: -42.036
flat angles C4'-P-C4' energy: -45.221
flat angles P-C4'-P energy: -34.211
tors. eta vs tors. theta energy: -1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -847.754585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.754585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.754585 (E_RNA)
where:
Base-Base interactions energy: -584.305
where: short stacking energy: -263.262
Base-Backbone interact. energy: -1.027
local terms energy: -262.422781
where:
bonds (distance) C4'-P energy: -44.508
bonds (distance) P-C4' energy: -51.218
flat angles C4'-P-C4' energy: -60.401
flat angles P-C4'-P energy: -33.324
tors. eta vs tors. theta energy: -72.972
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: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -841.034308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.034308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.034308 (E_RNA)
where:
Base-Base interactions energy: -598.210
where: short stacking energy: -225.279
Base-Backbone interact. energy: -1.649
local terms energy: -241.175238
where:
bonds (distance) C4'-P energy: -46.340
bonds (distance) P-C4' energy: -49.930
flat angles C4'-P-C4' energy: -51.640
flat angles P-C4'-P energy: -42.169
tors. eta vs tors. theta energy: -51.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -810.227962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.227962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.227962 (E_RNA)
where:
Base-Base interactions energy: -559.382
where: short stacking energy: -246.129
Base-Backbone interact. energy: -1.616
local terms energy: -249.230177
where:
bonds (distance) C4'-P energy: -45.123
bonds (distance) P-C4' energy: -42.274
flat angles C4'-P-C4' energy: -54.387
flat angles P-C4'-P energy: -33.776
tors. eta vs tors. theta energy: -73.671
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: 10
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -768.649548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.649548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.649548 (E_RNA)
where:
Base-Base interactions energy: -535.406
where: short stacking energy: -237.788
Base-Backbone interact. energy: -2.074
local terms energy: -231.169672
where:
bonds (distance) C4'-P energy: -40.226
bonds (distance) P-C4' energy: -40.313
flat angles C4'-P-C4' energy: -55.630
flat angles P-C4'-P energy: -32.118
tors. eta vs tors. theta energy: -62.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -704.602802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.602802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.602802 (E_RNA)
where:
Base-Base interactions energy: -485.441
where: short stacking energy: -212.924
Base-Backbone interact. energy: -1.129
local terms energy: -218.033026
where:
bonds (distance) C4'-P energy: -39.135
bonds (distance) P-C4' energy: -50.795
flat angles C4'-P-C4' energy: -41.821
flat angles P-C4'-P energy: -31.670
tors. eta vs tors. theta energy: -54.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -701.187443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.187443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.187443 (E_RNA)
where:
Base-Base interactions energy: -484.933
where: short stacking energy: -216.371
Base-Backbone interact. energy: 1.684
local terms energy: -217.938480
where:
bonds (distance) C4'-P energy: -45.199
bonds (distance) P-C4' energy: -45.924
flat angles C4'-P-C4' energy: -39.525
flat angles P-C4'-P energy: -27.895
tors. eta vs tors. theta energy: -59.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -710.368256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.368256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.368256 (E_RNA)
where:
Base-Base interactions energy: -483.936
where: short stacking energy: -235.653
Base-Backbone interact. energy: -0.103
local terms energy: -226.329210
where:
bonds (distance) C4'-P energy: -37.863
bonds (distance) P-C4' energy: -48.573
flat angles C4'-P-C4' energy: -47.925
flat angles P-C4'-P energy: -28.600
tors. eta vs tors. theta energy: -63.369
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: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -550.005307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.005307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.005307 (E_RNA)
where:
Base-Base interactions energy: -359.450
where: short stacking energy: -147.634
Base-Backbone interact. energy: -0.436
local terms energy: -190.119371
where:
bonds (distance) C4'-P energy: -43.792
bonds (distance) P-C4' energy: -43.759
flat angles C4'-P-C4' energy: -42.173
flat angles P-C4'-P energy: -30.935
tors. eta vs tors. theta energy: -29.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -360.774043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.774043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.774043 (E_RNA)
where:
Base-Base interactions energy: -205.224
where: short stacking energy: -95.953
Base-Backbone interact. energy: -0.694
local terms energy: -154.855388
where:
bonds (distance) C4'-P energy: -43.354
bonds (distance) P-C4' energy: -37.594
flat angles C4'-P-C4' energy: -42.345
flat angles P-C4'-P energy: -19.709
tors. eta vs tors. theta energy: -11.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -206.540824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.540824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.540824 (E_RNA)
where:
Base-Base interactions energy: -82.862
where: short stacking energy: -50.347
Base-Backbone interact. energy: -0.222
local terms energy: -123.456793
where:
bonds (distance) C4'-P energy: -35.544
bonds (distance) P-C4' energy: -44.340
flat angles C4'-P-C4' energy: -25.754
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: 4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -876.182661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.182661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.182661 (E_RNA)
where:
Base-Base interactions energy: -600.155
where: short stacking energy: -267.316
Base-Backbone interact. energy: 2.046
local terms energy: -278.074105
where:
bonds (distance) C4'-P energy: -49.859
bonds (distance) P-C4' energy: -55.771
flat angles C4'-P-C4' energy: -56.552
flat angles P-C4'-P energy: -41.524
tors. eta vs tors. theta energy: -74.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -846.272355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.272355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.272355 (E_RNA)
where:
Base-Base interactions energy: -572.854
where: short stacking energy: -258.912
Base-Backbone interact. energy: -0.092
local terms energy: -273.326708
where:
bonds (distance) C4'-P energy: -48.075
bonds (distance) P-C4' energy: -50.870
flat angles C4'-P-C4' energy: -56.367
flat angles P-C4'-P energy: -42.080
tors. eta vs tors. theta energy: -75.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -835.886528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.886528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.886528 (E_RNA)
where:
Base-Base interactions energy: -612.842
where: short stacking energy: -231.456
Base-Backbone interact. energy: -1.606
local terms energy: -221.438222
where:
bonds (distance) C4'-P energy: -41.754
bonds (distance) P-C4' energy: -53.231
flat angles C4'-P-C4' energy: -45.821
flat angles P-C4'-P energy: -31.127
tors. eta vs tors. theta energy: -49.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -789.958217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.958217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.958217 (E_RNA)
where:
Base-Base interactions energy: -547.206
where: short stacking energy: -232.216
Base-Backbone interact. energy: 1.988
local terms energy: -244.740031
where:
bonds (distance) C4'-P energy: -44.826
bonds (distance) P-C4' energy: -56.676
flat angles C4'-P-C4' energy: -49.600
flat angles P-C4'-P energy: -32.396
tors. eta vs tors. theta energy: -61.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -699.969674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.969674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.969674 (E_RNA)
where:
Base-Base interactions energy: -478.812
where: short stacking energy: -200.425
Base-Backbone interact. energy: 0.540
local terms energy: -221.697675
where:
bonds (distance) C4'-P energy: -37.721
bonds (distance) P-C4' energy: -50.550
flat angles C4'-P-C4' energy: -45.682
flat angles P-C4'-P energy: -37.312
tors. eta vs tors. theta energy: -50.432
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: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -697.962031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.962031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.962031 (E_RNA)
where:
Base-Base interactions energy: -463.522
where: short stacking energy: -204.630
Base-Backbone interact. energy: -1.535
local terms energy: -232.905485
where:
bonds (distance) C4'-P energy: -47.094
bonds (distance) P-C4' energy: -47.267
flat angles C4'-P-C4' energy: -38.995
flat angles P-C4'-P energy: -36.183
tors. eta vs tors. theta energy: -63.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -708.669617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.669617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.669617 (E_RNA)
where:
Base-Base interactions energy: -494.296
where: short stacking energy: -218.488
Base-Backbone interact. energy: -0.317
local terms energy: -214.056798
where:
bonds (distance) C4'-P energy: -37.147
bonds (distance) P-C4' energy: -42.391
flat angles C4'-P-C4' energy: -47.343
flat angles P-C4'-P energy: -26.839
tors. eta vs tors. theta energy: -60.338
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: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -530.768528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.768528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.768528 (E_RNA)
where:
Base-Base interactions energy: -343.798
where: short stacking energy: -149.987
Base-Backbone interact. energy: -0.128
local terms energy: -186.842560
where:
bonds (distance) C4'-P energy: -38.403
bonds (distance) P-C4' energy: -41.081
flat angles C4'-P-C4' energy: -50.541
flat angles P-C4'-P energy: -30.497
tors. eta vs tors. theta energy: -26.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -386.183617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.183617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.183617 (E_RNA)
where:
Base-Base interactions energy: -238.098
where: short stacking energy: -127.881
Base-Backbone interact. energy: 0.218
local terms energy: -148.304211
where:
bonds (distance) C4'-P energy: -29.852
bonds (distance) P-C4' energy: -36.046
flat angles C4'-P-C4' energy: -46.291
flat angles P-C4'-P energy: -15.230
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: 10, replica: 7
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -201.274068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.274068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.274068 (E_RNA)
where:
Base-Base interactions energy: -73.121
where: short stacking energy: -43.933
Base-Backbone interact. energy: 2.048
local terms energy: -130.201264
where:
bonds (distance) C4'-P energy: -40.574
bonds (distance) P-C4' energy: -45.167
flat angles C4'-P-C4' energy: -27.918
flat angles P-C4'-P energy: -29.269
tors. eta vs tors. theta energy: 12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -849.953042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.953042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.953042 (E_RNA)
where:
Base-Base interactions energy: -586.206
where: short stacking energy: -262.007
Base-Backbone interact. energy: -2.417
local terms energy: -261.330225
where:
bonds (distance) C4'-P energy: -44.367
bonds (distance) P-C4' energy: -51.382
flat angles C4'-P-C4' energy: -50.246
flat angles P-C4'-P energy: -41.441
tors. eta vs tors. theta energy: -73.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -848.495610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.495610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.495610 (E_RNA)
where:
Base-Base interactions energy: -589.865
where: short stacking energy: -260.120
Base-Backbone interact. energy: 1.143
local terms energy: -259.773729
where:
bonds (distance) C4'-P energy: -49.803
bonds (distance) P-C4' energy: -44.739
flat angles C4'-P-C4' energy: -53.594
flat angles P-C4'-P energy: -36.911
tors. eta vs tors. theta energy: -74.727
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: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -834.119246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.119246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.119246 (E_RNA)
where:
Base-Base interactions energy: -593.115
where: short stacking energy: -242.023
Base-Backbone interact. energy: 4.110
local terms energy: -245.114380
where:
bonds (distance) C4'-P energy: -53.430
bonds (distance) P-C4' energy: -48.243
flat angles C4'-P-C4' energy: -50.284
flat angles P-C4'-P energy: -32.934
tors. eta vs tors. theta energy: -60.223
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: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -795.037087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.037087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.037087 (E_RNA)
where:
Base-Base interactions energy: -542.885
where: short stacking energy: -228.762
Base-Backbone interact. energy: -0.975
local terms energy: -251.176808
where:
bonds (distance) C4'-P energy: -53.148
bonds (distance) P-C4' energy: -47.137
flat angles C4'-P-C4' energy: -48.328
flat angles P-C4'-P energy: -40.345
tors. eta vs tors. theta energy: -62.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -733.993010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.993010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.993010 (E_RNA)
where:
Base-Base interactions energy: -516.934
where: short stacking energy: -220.153
Base-Backbone interact. energy: -0.960
local terms energy: -216.099731
where:
bonds (distance) C4'-P energy: -38.233
bonds (distance) P-C4' energy: -31.057
flat angles C4'-P-C4' energy: -50.680
flat angles P-C4'-P energy: -33.283
tors. eta vs tors. theta energy: -62.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -713.729543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.729543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.729543 (E_RNA)
where:
Base-Base interactions energy: -485.272
where: short stacking energy: -205.238
Base-Backbone interact. energy: -0.947
local terms energy: -227.510758
where:
bonds (distance) C4'-P energy: -35.734
bonds (distance) P-C4' energy: -45.587
flat angles C4'-P-C4' energy: -52.367
flat angles P-C4'-P energy: -36.545
tors. eta vs tors. theta energy: -57.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -694.018267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.018267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.018267 (E_RNA)
where:
Base-Base interactions energy: -480.958
where: short stacking energy: -210.876
Base-Backbone interact. energy: -0.841
local terms energy: -212.218509
where:
bonds (distance) C4'-P energy: -41.292
bonds (distance) P-C4' energy: -41.947
flat angles C4'-P-C4' energy: -43.005
flat angles P-C4'-P energy: -22.088
tors. eta vs tors. theta energy: -63.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -597.908402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.908402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.908402 (E_RNA)
where:
Base-Base interactions energy: -412.878
where: short stacking energy: -159.113
Base-Backbone interact. energy: -1.843
local terms energy: -183.186899
where:
bonds (distance) C4'-P energy: -45.343
bonds (distance) P-C4' energy: -41.354
flat angles C4'-P-C4' energy: -37.567
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -40.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -358.899272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.899272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.899272 (E_RNA)
where:
Base-Base interactions energy: -208.836
where: short stacking energy: -121.381
Base-Backbone interact. energy: -1.374
local terms energy: -148.688919
where:
bonds (distance) C4'-P energy: -45.008
bonds (distance) P-C4' energy: -39.774
flat angles C4'-P-C4' energy: -36.110
flat angles P-C4'-P energy: -19.659
tors. eta vs tors. theta energy: -8.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -239.866358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.866358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.866358 (E_RNA)
where:
Base-Base interactions energy: -97.262
where: short stacking energy: -75.129
Base-Backbone interact. energy: 5.317
local terms energy: -147.921344
where:
bonds (distance) C4'-P energy: -44.229
bonds (distance) P-C4' energy: -43.741
flat angles C4'-P-C4' energy: -37.983
flat angles P-C4'-P energy: -22.146
tors. eta vs tors. theta energy: 0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -841.144614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.144614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.144614 (E_RNA)
where:
Base-Base interactions energy: -569.032
where: short stacking energy: -255.173
Base-Backbone interact. energy: -3.084
local terms energy: -269.027834
where:
bonds (distance) C4'-P energy: -47.487
bonds (distance) P-C4' energy: -50.685
flat angles C4'-P-C4' energy: -50.904
flat angles P-C4'-P energy: -39.747
tors. eta vs tors. theta energy: -80.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -843.036726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.036726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.036726 (E_RNA)
where:
Base-Base interactions energy: -590.769
where: short stacking energy: -230.156
Base-Backbone interact. energy: -0.485
local terms energy: -251.782647
where:
bonds (distance) C4'-P energy: -47.621
bonds (distance) P-C4' energy: -50.385
flat angles C4'-P-C4' energy: -57.413
flat angles P-C4'-P energy: -38.918
tors. eta vs tors. theta energy: -57.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -828.561234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.561234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.561234 (E_RNA)
where:
Base-Base interactions energy: -566.990
where: short stacking energy: -250.468
Base-Backbone interact. energy: -0.549
local terms energy: -261.021662
where:
bonds (distance) C4'-P energy: -47.741
bonds (distance) P-C4' energy: -47.740
flat angles C4'-P-C4' energy: -56.827
flat angles P-C4'-P energy: -38.018
tors. eta vs tors. theta energy: -70.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -804.216334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.216334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.216334 (E_RNA)
where:
Base-Base interactions energy: -580.046
where: short stacking energy: -233.569
Base-Backbone interact. energy: -1.835
local terms energy: -222.335549
where:
bonds (distance) C4'-P energy: -29.540
bonds (distance) P-C4' energy: -43.974
flat angles C4'-P-C4' energy: -52.203
flat angles P-C4'-P energy: -37.705
tors. eta vs tors. theta energy: -58.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -754.272707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.272707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.272707 (E_RNA)
where:
Base-Base interactions energy: -516.440
where: short stacking energy: -224.016
Base-Backbone interact. energy: -2.801
local terms energy: -235.031376
where:
bonds (distance) C4'-P energy: -42.940
bonds (distance) P-C4' energy: -40.806
flat angles C4'-P-C4' energy: -51.293
flat angles P-C4'-P energy: -33.331
tors. eta vs tors. theta energy: -66.662
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: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -753.456245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.456245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.456245 (E_RNA)
where:
Base-Base interactions energy: -532.821
where: short stacking energy: -235.572
Base-Backbone interact. energy: -1.040
local terms energy: -219.595120
where:
bonds (distance) C4'-P energy: -44.614
bonds (distance) P-C4' energy: -51.694
flat angles C4'-P-C4' energy: -37.156
flat angles P-C4'-P energy: -26.936
tors. eta vs tors. theta energy: -59.195
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: 9
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -656.267474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.267474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.267474 (E_RNA)
where:
Base-Base interactions energy: -443.575
where: short stacking energy: -189.513
Base-Backbone interact. energy: -0.749
local terms energy: -211.943446
where:
bonds (distance) C4'-P energy: -36.431
bonds (distance) P-C4' energy: -37.999
flat angles C4'-P-C4' energy: -47.074
flat angles P-C4'-P energy: -35.371
tors. eta vs tors. theta energy: -55.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -564.918819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.918819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.918819 (E_RNA)
where:
Base-Base interactions energy: -392.409
where: short stacking energy: -158.754
Base-Backbone interact. energy: 0.877
local terms energy: -173.386098
where:
bonds (distance) C4'-P energy: -39.067
bonds (distance) P-C4' energy: -41.972
flat angles C4'-P-C4' energy: -46.318
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -31.365
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: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -370.379782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.379782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.379782 (E_RNA)
where:
Base-Base interactions energy: -195.337
where: short stacking energy: -117.734
Base-Backbone interact. energy: -2.354
local terms energy: -172.688751
where:
bonds (distance) C4'-P energy: -42.895
bonds (distance) P-C4' energy: -41.895
flat angles C4'-P-C4' energy: -43.374
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -22.433
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: 7
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -217.604095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.604095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.604095 (E_RNA)
where:
Base-Base interactions energy: -89.380
where: short stacking energy: -77.040
Base-Backbone interact. energy: 4.125
local terms energy: -132.348923
where:
bonds (distance) C4'-P energy: -31.085
bonds (distance) P-C4' energy: -50.116
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: 2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -844.254382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.254382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.254382 (E_RNA)
where:
Base-Base interactions energy: -598.515
where: short stacking energy: -234.316
Base-Backbone interact. energy: 2.230
local terms energy: -247.968807
where:
bonds (distance) C4'-P energy: -43.548
bonds (distance) P-C4' energy: -52.860
flat angles C4'-P-C4' energy: -52.230
flat angles P-C4'-P energy: -36.186
tors. eta vs tors. theta energy: -63.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -834.060796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.060796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.060796 (E_RNA)
where:
Base-Base interactions energy: -568.197
where: short stacking energy: -250.089
Base-Backbone interact. energy: -0.968
local terms energy: -264.895792
where:
bonds (distance) C4'-P energy: -42.978
bonds (distance) P-C4' energy: -49.829
flat angles C4'-P-C4' energy: -60.396
flat angles P-C4'-P energy: -40.326
tors. eta vs tors. theta energy: -71.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -824.651841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.651841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.651841 (E_RNA)
where:
Base-Base interactions energy: -566.690
where: short stacking energy: -256.008
Base-Backbone interact. energy: -0.355
local terms energy: -257.607483
where:
bonds (distance) C4'-P energy: -52.494
bonds (distance) P-C4' energy: -42.479
flat angles C4'-P-C4' energy: -56.741
flat angles P-C4'-P energy: -32.229
tors. eta vs tors. theta energy: -73.665
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: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -798.580409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.580409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.580409 (E_RNA)
where:
Base-Base interactions energy: -567.884
where: short stacking energy: -229.081
Base-Backbone interact. energy: -0.061
local terms energy: -230.635635
where:
bonds (distance) C4'-P energy: -43.341
bonds (distance) P-C4' energy: -43.519
flat angles C4'-P-C4' energy: -50.878
flat angles P-C4'-P energy: -25.701
tors. eta vs tors. theta energy: -67.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -770.679752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.679752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.679752 (E_RNA)
where:
Base-Base interactions energy: -531.610
where: short stacking energy: -243.705
Base-Backbone interact. energy: 0.463
local terms energy: -239.532144
where:
bonds (distance) C4'-P energy: -43.529
bonds (distance) P-C4' energy: -49.543
flat angles C4'-P-C4' energy: -50.794
flat angles P-C4'-P energy: -30.678
tors. eta vs tors. theta energy: -64.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -719.064086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.064086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.064086 (E_RNA)
where:
Base-Base interactions energy: -492.483
where: short stacking energy: -209.253
Base-Backbone interact. energy: -0.634
local terms energy: -225.946531
where:
bonds (distance) C4'-P energy: -46.245
bonds (distance) P-C4' energy: -39.261
flat angles C4'-P-C4' energy: -43.910
flat angles P-C4'-P energy: -37.414
tors. eta vs tors. theta energy: -59.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -668.462586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.462586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.462586 (E_RNA)
where:
Base-Base interactions energy: -458.573
where: short stacking energy: -196.504
Base-Backbone interact. energy: -1.512
local terms energy: -208.377145
where:
bonds (distance) C4'-P energy: -41.053
bonds (distance) P-C4' energy: -41.424
flat angles C4'-P-C4' energy: -46.922
flat angles P-C4'-P energy: -29.782
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: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -565.434303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.434303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.434303 (E_RNA)
where:
Base-Base interactions energy: -381.909
where: short stacking energy: -186.025
Base-Backbone interact. energy: 0.434
local terms energy: -183.959650
where:
bonds (distance) C4'-P energy: -28.773
bonds (distance) P-C4' energy: -36.329
flat angles C4'-P-C4' energy: -55.397
flat angles P-C4'-P energy: -24.626
tors. eta vs tors. theta energy: -38.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -345.997639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.997639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.997639 (E_RNA)
where:
Base-Base interactions energy: -191.373
where: short stacking energy: -102.363
Base-Backbone interact. energy: 3.072
local terms energy: -157.696259
where:
bonds (distance) C4'-P energy: -31.172
bonds (distance) P-C4' energy: -53.205
flat angles C4'-P-C4' energy: -39.523
flat angles P-C4'-P energy: -23.503
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -218.603520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.603520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.603520 (E_RNA)
where:
Base-Base interactions energy: -97.900
where: short stacking energy: -58.308
Base-Backbone interact. energy: -0.297
local terms energy: -120.406418
where:
bonds (distance) C4'-P energy: -27.022
bonds (distance) P-C4' energy: -48.878
flat angles C4'-P-C4' energy: -35.249
flat angles P-C4'-P energy: -25.570
tors. eta vs tors. theta energy: 16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -837.637730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.637730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.637730 (E_RNA)
where:
Base-Base interactions energy: -595.640
where: short stacking energy: -231.153
Base-Backbone interact. energy: -1.958
local terms energy: -240.040020
where:
bonds (distance) C4'-P energy: -44.560
bonds (distance) P-C4' energy: -43.427
flat angles C4'-P-C4' energy: -53.691
flat angles P-C4'-P energy: -34.864
tors. eta vs tors. theta energy: -63.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -835.123860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.123860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.123860 (E_RNA)
where:
Base-Base interactions energy: -582.248
where: short stacking energy: -251.100
Base-Backbone interact. energy: -0.769
local terms energy: -252.107835
where:
bonds (distance) C4'-P energy: -46.611
bonds (distance) P-C4' energy: -40.697
flat angles C4'-P-C4' energy: -54.106
flat angles P-C4'-P energy: -43.515
tors. eta vs tors. theta energy: -67.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -840.957800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.957800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.957800 (E_RNA)
where:
Base-Base interactions energy: -591.690
where: short stacking energy: -256.934
Base-Backbone interact. energy: -2.907
local terms energy: -246.361333
where:
bonds (distance) C4'-P energy: -40.489
bonds (distance) P-C4' energy: -47.096
flat angles C4'-P-C4' energy: -55.028
flat angles P-C4'-P energy: -30.695
tors. eta vs tors. theta energy: -73.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -828.993665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.993665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.993665 (E_RNA)
where:
Base-Base interactions energy: -581.982
where: short stacking energy: -230.477
Base-Backbone interact. energy: -1.209
local terms energy: -245.803056
where:
bonds (distance) C4'-P energy: -42.110
bonds (distance) P-C4' energy: -50.647
flat angles C4'-P-C4' energy: -51.681
flat angles P-C4'-P energy: -36.645
tors. eta vs tors. theta energy: -64.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -732.168993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.168993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.168993 (E_RNA)
where:
Base-Base interactions energy: -508.738
where: short stacking energy: -214.582
Base-Backbone interact. energy: -1.951
local terms energy: -221.480222
where:
bonds (distance) C4'-P energy: -37.360
bonds (distance) P-C4' energy: -41.741
flat angles C4'-P-C4' energy: -55.143
flat angles P-C4'-P energy: -24.816
tors. eta vs tors. theta energy: -62.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -670.524696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.524696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.524696 (E_RNA)
where:
Base-Base interactions energy: -458.791
where: short stacking energy: -199.547
Base-Backbone interact. energy: 0.084
local terms energy: -211.817079
where:
bonds (distance) C4'-P energy: -49.514
bonds (distance) P-C4' energy: -39.181
flat angles C4'-P-C4' energy: -44.028
flat angles P-C4'-P energy: -28.032
tors. eta vs tors. theta energy: -51.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -683.807728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.807728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.807728 (E_RNA)
where:
Base-Base interactions energy: -470.526
where: short stacking energy: -206.864
Base-Backbone interact. energy: -0.829
local terms energy: -212.452901
where:
bonds (distance) C4'-P energy: -37.129
bonds (distance) P-C4' energy: -44.844
flat angles C4'-P-C4' energy: -45.924
flat angles P-C4'-P energy: -31.288
tors. eta vs tors. theta energy: -53.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -589.011032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.011032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.011032 (E_RNA)
where:
Base-Base interactions energy: -392.340
where: short stacking energy: -159.393
Base-Backbone interact. energy: 0.407
local terms energy: -197.077902
where:
bonds (distance) C4'-P energy: -38.598
bonds (distance) P-C4' energy: -38.381
flat angles C4'-P-C4' energy: -44.157
flat angles P-C4'-P energy: -37.416
tors. eta vs tors. theta energy: -38.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -356.501544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.501544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.501544 (E_RNA)
where:
Base-Base interactions energy: -189.837
where: short stacking energy: -110.425
Base-Backbone interact. energy: 0.757
local terms energy: -167.421397
where:
bonds (distance) C4'-P energy: -44.910
bonds (distance) P-C4' energy: -36.966
flat angles C4'-P-C4' energy: -33.663
flat angles P-C4'-P energy: -30.857
tors. eta vs tors. theta energy: -21.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -201.596212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.596212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.596212 (E_RNA)
where:
Base-Base interactions energy: -61.013
where: short stacking energy: -48.045
Base-Backbone interact. energy: -0.829
local terms energy: -139.754182
where:
bonds (distance) C4'-P energy: -48.210
bonds (distance) P-C4' energy: -42.938
flat angles C4'-P-C4' energy: -34.912
flat angles P-C4'-P energy: -22.510
tors. eta vs tors. theta energy: 8.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -847.861784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.861784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.861784 (E_RNA)
where:
Base-Base interactions energy: -606.431
where: short stacking energy: -235.047
Base-Backbone interact. energy: -0.214
local terms energy: -241.216440
where:
bonds (distance) C4'-P energy: -42.863
bonds (distance) P-C4' energy: -44.427
flat angles C4'-P-C4' energy: -56.800
flat angles P-C4'-P energy: -35.772
tors. eta vs tors. theta energy: -61.354
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: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -841.231215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.231215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.231215 (E_RNA)
where:
Base-Base interactions energy: -579.425
where: short stacking energy: -259.480
Base-Backbone interact. energy: -1.252
local terms energy: -260.554244
where:
bonds (distance) C4'-P energy: -46.060
bonds (distance) P-C4' energy: -51.477
flat angles C4'-P-C4' energy: -49.857
flat angles P-C4'-P energy: -40.225
tors. eta vs tors. theta energy: -72.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -835.830129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.830129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.830129 (E_RNA)
where:
Base-Base interactions energy: -590.264
where: short stacking energy: -236.022
Base-Backbone interact. energy: -0.203
local terms energy: -245.362927
where:
bonds (distance) C4'-P energy: -48.525
bonds (distance) P-C4' energy: -44.986
flat angles C4'-P-C4' energy: -55.188
flat angles P-C4'-P energy: -35.678
tors. eta vs tors. theta energy: -60.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -804.450968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.450968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.450968 (E_RNA)
where:
Base-Base interactions energy: -544.798
where: short stacking energy: -226.938
Base-Backbone interact. energy: -0.870
local terms energy: -258.782584
where:
bonds (distance) C4'-P energy: -51.449
bonds (distance) P-C4' energy: -48.633
flat angles C4'-P-C4' energy: -50.277
flat angles P-C4'-P energy: -37.578
tors. eta vs tors. theta energy: -70.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -752.926287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.926287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.926287 (E_RNA)
where:
Base-Base interactions energy: -529.644
where: short stacking energy: -246.228
Base-Backbone interact. energy: -0.784
local terms energy: -222.498047
where:
bonds (distance) C4'-P energy: -36.275
bonds (distance) P-C4' energy: -41.142
flat angles C4'-P-C4' energy: -50.673
flat angles P-C4'-P energy: -27.892
tors. eta vs tors. theta energy: -66.517
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: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -669.396940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.396940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.396940 (E_RNA)
where:
Base-Base interactions energy: -454.398
where: short stacking energy: -194.263
Base-Backbone interact. energy: -0.075
local terms energy: -214.924556
where:
bonds (distance) C4'-P energy: -54.097
bonds (distance) P-C4' energy: -46.380
flat angles C4'-P-C4' energy: -40.706
flat angles P-C4'-P energy: -22.695
tors. eta vs tors. theta energy: -51.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -680.403291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.403291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.403291 (E_RNA)
where:
Base-Base interactions energy: -461.612
where: short stacking energy: -203.177
Base-Backbone interact. energy: -0.407
local terms energy: -218.384307
where:
bonds (distance) C4'-P energy: -37.879
bonds (distance) P-C4' energy: -41.789
flat angles C4'-P-C4' energy: -51.265
flat angles P-C4'-P energy: -32.975
tors. eta vs tors. theta energy: -54.477
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: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -558.409882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.409882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.409882 (E_RNA)
where:
Base-Base interactions energy: -375.111
where: short stacking energy: -166.241
Base-Backbone interact. energy: -1.484
local terms energy: -181.814362
where:
bonds (distance) C4'-P energy: -48.500
bonds (distance) P-C4' energy: -43.267
flat angles C4'-P-C4' energy: -36.416
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: -31.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -360.367235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.367235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.367235 (E_RNA)
where:
Base-Base interactions energy: -203.257
where: short stacking energy: -108.392
Base-Backbone interact. energy: 0.362
local terms energy: -157.471848
where:
bonds (distance) C4'-P energy: -35.742
bonds (distance) P-C4' energy: -40.909
flat angles C4'-P-C4' energy: -39.680
flat angles P-C4'-P energy: -16.872
tors. eta vs tors. theta energy: -24.270
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: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -212.852704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.852704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.852704 (E_RNA)
where:
Base-Base interactions energy: -68.424
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.540
local terms energy: -143.888340
where:
bonds (distance) C4'-P energy: -40.785
bonds (distance) P-C4' energy: -51.483
flat angles C4'-P-C4' energy: -34.536
flat angles P-C4'-P energy: -24.846
tors. eta vs tors. theta energy: 7.762
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: 1, replica: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -848.969125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.969125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.969125 (E_RNA)
where:
Base-Base interactions energy: -612.309
where: short stacking energy: -241.577
Base-Backbone interact. energy: -2.134
local terms energy: -234.525991
where:
bonds (distance) C4'-P energy: -48.653
bonds (distance) P-C4' energy: -39.387
flat angles C4'-P-C4' energy: -54.769
flat angles P-C4'-P energy: -34.118
tors. eta vs tors. theta energy: -57.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -855.665206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.665206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.665206 (E_RNA)
where:
Base-Base interactions energy: -612.719
where: short stacking energy: -243.901
Base-Backbone interact. energy: -1.414
local terms energy: -241.532867
where:
bonds (distance) C4'-P energy: -46.143
bonds (distance) P-C4' energy: -45.277
flat angles C4'-P-C4' energy: -50.669
flat angles P-C4'-P energy: -35.135
tors. eta vs tors. theta energy: -64.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -819.317707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.317707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.317707 (E_RNA)
where:
Base-Base interactions energy: -550.968
where: short stacking energy: -235.310
Base-Backbone interact. energy: -3.792
local terms energy: -264.557749
where:
bonds (distance) C4'-P energy: -51.369
bonds (distance) P-C4' energy: -47.545
flat angles C4'-P-C4' energy: -54.641
flat angles P-C4'-P energy: -38.715
tors. eta vs tors. theta energy: -72.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -785.661004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.661004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.661004 (E_RNA)
where:
Base-Base interactions energy: -525.136
where: short stacking energy: -239.819
Base-Backbone interact. energy: -0.180
local terms energy: -260.344190
where:
bonds (distance) C4'-P energy: -48.116
bonds (distance) P-C4' energy: -50.218
flat angles C4'-P-C4' energy: -57.909
flat angles P-C4'-P energy: -35.078
tors. eta vs tors. theta energy: -69.023
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: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -753.701069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.701069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.701069 (E_RNA)
where:
Base-Base interactions energy: -511.603
where: short stacking energy: -227.870
Base-Backbone interact. energy: 0.298
local terms energy: -242.396090
where:
bonds (distance) C4'-P energy: -51.720
bonds (distance) P-C4' energy: -45.434
flat angles C4'-P-C4' energy: -40.925
flat angles P-C4'-P energy: -32.621
tors. eta vs tors. theta energy: -71.697
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: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -684.476706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.476706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.476706 (E_RNA)
where:
Base-Base interactions energy: -480.141
where: short stacking energy: -200.935
Base-Backbone interact. energy: 1.355
local terms energy: -205.690530
where:
bonds (distance) C4'-P energy: -38.529
bonds (distance) P-C4' energy: -44.903
flat angles C4'-P-C4' energy: -47.927
flat angles P-C4'-P energy: -25.362
tors. eta vs tors. theta energy: -48.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -662.767607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.767607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.767607 (E_RNA)
where:
Base-Base interactions energy: -454.380
where: short stacking energy: -192.310
Base-Backbone interact. energy: -2.457
local terms energy: -205.930311
where:
bonds (distance) C4'-P energy: -30.904
bonds (distance) P-C4' energy: -40.985
flat angles C4'-P-C4' energy: -49.341
flat angles P-C4'-P energy: -31.988
tors. eta vs tors. theta energy: -52.713
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: 8, replica: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -515.112842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.112842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.112842 (E_RNA)
where:
Base-Base interactions energy: -331.828
where: short stacking energy: -137.411
Base-Backbone interact. energy: -1.314
local terms energy: -181.970341
where:
bonds (distance) C4'-P energy: -38.049
bonds (distance) P-C4' energy: -46.107
flat angles C4'-P-C4' energy: -48.839
flat angles P-C4'-P energy: -27.424
tors. eta vs tors. theta energy: -21.552
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: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -323.601942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.601942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.601942 (E_RNA)
where:
Base-Base interactions energy: -178.035
where: short stacking energy: -101.531
Base-Backbone interact. energy: 0.668
local terms energy: -146.235404
where:
bonds (distance) C4'-P energy: -40.269
bonds (distance) P-C4' energy: -31.961
flat angles C4'-P-C4' energy: -40.983
flat angles P-C4'-P energy: -25.056
tors. eta vs tors. theta energy: -7.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -221.860601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.860601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.860601 (E_RNA)
where:
Base-Base interactions energy: -90.873
where: short stacking energy: -70.035
Base-Backbone interact. energy: 0.054
local terms energy: -131.042425
where:
bonds (distance) C4'-P energy: -33.900
bonds (distance) P-C4' energy: -46.659
flat angles C4'-P-C4' energy: -41.701
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: 5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -863.096976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.096976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.096976 (E_RNA)
where:
Base-Base interactions energy: -618.472
where: short stacking energy: -229.188
Base-Backbone interact. energy: -1.940
local terms energy: -242.684718
where:
bonds (distance) C4'-P energy: -45.618
bonds (distance) P-C4' energy: -52.096
flat angles C4'-P-C4' energy: -56.339
flat angles P-C4'-P energy: -32.340
tors. eta vs tors. theta energy: -56.291
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: 2, replica: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -846.558738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.558738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.558738 (E_RNA)
where:
Base-Base interactions energy: -590.641
where: short stacking energy: -235.336
Base-Backbone interact. energy: 0.161
local terms energy: -256.078663
where:
bonds (distance) C4'-P energy: -42.535
bonds (distance) P-C4' energy: -55.977
flat angles C4'-P-C4' energy: -56.529
flat angles P-C4'-P energy: -35.534
tors. eta vs tors. theta energy: -65.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -805.523516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.523516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.523516 (E_RNA)
where:
Base-Base interactions energy: -546.323
where: short stacking energy: -250.825
Base-Backbone interact. energy: -1.179
local terms energy: -258.021784
where:
bonds (distance) C4'-P energy: -47.132
bonds (distance) P-C4' energy: -56.099
flat angles C4'-P-C4' energy: -51.012
flat angles P-C4'-P energy: -35.505
tors. eta vs tors. theta energy: -68.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -797.145161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.145161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.145161 (E_RNA)
where:
Base-Base interactions energy: -542.022
where: short stacking energy: -245.787
Base-Backbone interact. energy: -1.128
local terms energy: -253.994890
where:
bonds (distance) C4'-P energy: -46.614
bonds (distance) P-C4' energy: -42.530
flat angles C4'-P-C4' energy: -61.861
flat angles P-C4'-P energy: -32.763
tors. eta vs tors. theta energy: -70.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -772.151663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.151663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.151663 (E_RNA)
where:
Base-Base interactions energy: -533.288
where: short stacking energy: -228.870
Base-Backbone interact. energy: 2.401
local terms energy: -241.264538
where:
bonds (distance) C4'-P energy: -45.600
bonds (distance) P-C4' energy: -49.195
flat angles C4'-P-C4' energy: -47.969
flat angles P-C4'-P energy: -34.806
tors. eta vs tors. theta energy: -63.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -680.308917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.308917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.308917 (E_RNA)
where:
Base-Base interactions energy: -468.362
where: short stacking energy: -194.203
Base-Backbone interact. energy: -0.461
local terms energy: -211.485699
where:
bonds (distance) C4'-P energy: -31.524
bonds (distance) P-C4' energy: -47.943
flat angles C4'-P-C4' energy: -53.184
flat angles P-C4'-P energy: -22.768
tors. eta vs tors. theta energy: -56.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -659.317122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.317122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.317122 (E_RNA)
where:
Base-Base interactions energy: -470.614
where: short stacking energy: -208.553
Base-Backbone interact. energy: -0.023
local terms energy: -188.680576
where:
bonds (distance) C4'-P energy: -30.135
bonds (distance) P-C4' energy: -36.826
flat angles C4'-P-C4' energy: -44.282
flat angles P-C4'-P energy: -27.602
tors. eta vs tors. theta energy: -49.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -501.687196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.687196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.687196 (E_RNA)
where:
Base-Base interactions energy: -343.024
where: short stacking energy: -159.163
Base-Backbone interact. energy: 6.536
local terms energy: -165.199250
where:
bonds (distance) C4'-P energy: -34.159
bonds (distance) P-C4' energy: -45.157
flat angles C4'-P-C4' energy: -33.806
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: -32.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -335.806821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.806821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.806821 (E_RNA)
where:
Base-Base interactions energy: -177.730
where: short stacking energy: -94.409
Base-Backbone interact. energy: -0.906
local terms energy: -157.170630
where:
bonds (distance) C4'-P energy: -38.146
bonds (distance) P-C4' energy: -55.873
flat angles C4'-P-C4' energy: -45.273
flat angles P-C4'-P energy: -19.731
tors. eta vs tors. theta energy: 1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -224.680491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.680491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.680491 (E_RNA)
where:
Base-Base interactions energy: -111.309
where: short stacking energy: -82.289
Base-Backbone interact. energy: 1.074
local terms energy: -114.445364
where:
bonds (distance) C4'-P energy: -36.678
bonds (distance) P-C4' energy: -35.979
flat angles C4'-P-C4' energy: -36.180
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: 8.538
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: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -860.769638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.769638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.769638 (E_RNA)
where:
Base-Base interactions energy: -622.495
where: short stacking energy: -238.410
Base-Backbone interact. energy: -2.845
local terms energy: -235.429636
where:
bonds (distance) C4'-P energy: -48.366
bonds (distance) P-C4' energy: -44.611
flat angles C4'-P-C4' energy: -54.203
flat angles P-C4'-P energy: -32.885
tors. eta vs tors. theta energy: -55.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -860.428208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.428208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.428208 (E_RNA)
where:
Base-Base interactions energy: -625.765
where: short stacking energy: -247.184
Base-Backbone interact. energy: 1.156
local terms energy: -235.819433
where:
bonds (distance) C4'-P energy: -46.338
bonds (distance) P-C4' energy: -36.069
flat angles C4'-P-C4' energy: -54.318
flat angles P-C4'-P energy: -34.204
tors. eta vs tors. theta energy: -64.890
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: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -818.319478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.319478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.319478 (E_RNA)
where:
Base-Base interactions energy: -569.183
where: short stacking energy: -255.986
Base-Backbone interact. energy: -0.470
local terms energy: -248.666403
where:
bonds (distance) C4'-P energy: -45.693
bonds (distance) P-C4' energy: -49.228
flat angles C4'-P-C4' energy: -45.206
flat angles P-C4'-P energy: -32.856
tors. eta vs tors. theta energy: -75.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -766.678644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.678644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.678644 (E_RNA)
where:
Base-Base interactions energy: -518.260
where: short stacking energy: -227.742
Base-Backbone interact. energy: -0.433
local terms energy: -247.986390
where:
bonds (distance) C4'-P energy: -45.544
bonds (distance) P-C4' energy: -52.574
flat angles C4'-P-C4' energy: -55.686
flat angles P-C4'-P energy: -25.819
tors. eta vs tors. theta energy: -68.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -754.576590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.576590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.576590 (E_RNA)
where:
Base-Base interactions energy: -524.216
where: short stacking energy: -237.736
Base-Backbone interact. energy: -1.962
local terms energy: -228.398704
where:
bonds (distance) C4'-P energy: -41.513
bonds (distance) P-C4' energy: -41.640
flat angles C4'-P-C4' energy: -45.340
flat angles P-C4'-P energy: -31.188
tors. eta vs tors. theta energy: -68.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -718.854811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.854811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.854811 (E_RNA)
where:
Base-Base interactions energy: -489.004
where: short stacking energy: -198.682
Base-Backbone interact. energy: -3.362
local terms energy: -226.489204
where:
bonds (distance) C4'-P energy: -39.475
bonds (distance) P-C4' energy: -42.929
flat angles C4'-P-C4' energy: -51.631
flat angles P-C4'-P energy: -36.171
tors. eta vs tors. theta energy: -56.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -616.716816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.716816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.716816 (E_RNA)
where:
Base-Base interactions energy: -419.075
where: short stacking energy: -187.382
Base-Backbone interact. energy: -0.109
local terms energy: -197.533280
where:
bonds (distance) C4'-P energy: -33.770
bonds (distance) P-C4' energy: -34.173
flat angles C4'-P-C4' energy: -50.586
flat angles P-C4'-P energy: -29.367
tors. eta vs tors. theta energy: -49.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -507.118858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.118858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.118858 (E_RNA)
where:
Base-Base interactions energy: -327.694
where: short stacking energy: -144.865
Base-Backbone interact. energy: -0.601
local terms energy: -178.824668
where:
bonds (distance) C4'-P energy: -41.862
bonds (distance) P-C4' energy: -42.787
flat angles C4'-P-C4' energy: -47.887
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -35.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -339.244495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.244495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.244495 (E_RNA)
where:
Base-Base interactions energy: -177.346
where: short stacking energy: -106.320
Base-Backbone interact. energy: -0.412
local terms energy: -161.486483
where:
bonds (distance) C4'-P energy: -33.393
bonds (distance) P-C4' energy: -49.066
flat angles C4'-P-C4' energy: -42.408
flat angles P-C4'-P energy: -28.114
tors. eta vs tors. theta energy: -8.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -228.052245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.052245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.052245 (E_RNA)
where:
Base-Base interactions energy: -85.164
where: short stacking energy: -76.283
Base-Backbone interact. energy: -0.625
local terms energy: -142.263339
where:
bonds (distance) C4'-P energy: -40.784
bonds (distance) P-C4' energy: -38.499
flat angles C4'-P-C4' energy: -38.653
flat angles P-C4'-P energy: -20.776
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -885.237968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.237968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.237968 (E_RNA)
where:
Base-Base interactions energy: -626.498
where: short stacking energy: -250.895
Base-Backbone interact. energy: -0.273
local terms energy: -258.466248
where:
bonds (distance) C4'-P energy: -43.479
bonds (distance) P-C4' energy: -43.524
flat angles C4'-P-C4' energy: -56.955
flat angles P-C4'-P energy: -43.358
tors. eta vs tors. theta energy: -71.149
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: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -855.321503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.321503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.321503 (E_RNA)
where:
Base-Base interactions energy: -612.650
where: short stacking energy: -238.322
Base-Backbone interact. energy: -1.532
local terms energy: -241.139179
where:
bonds (distance) C4'-P energy: -44.919
bonds (distance) P-C4' energy: -53.060
flat angles C4'-P-C4' energy: -51.586
flat angles P-C4'-P energy: -36.899
tors. eta vs tors. theta energy: -54.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -813.590385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.590385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.590385 (E_RNA)
where:
Base-Base interactions energy: -554.303
where: short stacking energy: -247.744
Base-Backbone interact. energy: -0.845
local terms energy: -258.441748
where:
bonds (distance) C4'-P energy: -46.245
bonds (distance) P-C4' energy: -51.333
flat angles C4'-P-C4' energy: -53.594
flat angles P-C4'-P energy: -37.957
tors. eta vs tors. theta energy: -69.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -780.978747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.978747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.978747 (E_RNA)
where:
Base-Base interactions energy: -527.990
where: short stacking energy: -236.095
Base-Backbone interact. energy: -0.160
local terms energy: -252.828253
where:
bonds (distance) C4'-P energy: -47.042
bonds (distance) P-C4' energy: -42.979
flat angles C4'-P-C4' energy: -53.954
flat angles P-C4'-P energy: -36.619
tors. eta vs tors. theta energy: -72.234
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: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -772.769570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.769570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.769570 (E_RNA)
where:
Base-Base interactions energy: -528.944
where: short stacking energy: -232.816
Base-Backbone interact. energy: 3.289
local terms energy: -247.114404
where:
bonds (distance) C4'-P energy: -48.091
bonds (distance) P-C4' energy: -50.623
flat angles C4'-P-C4' energy: -55.016
flat angles P-C4'-P energy: -28.711
tors. eta vs tors. theta energy: -64.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -720.337308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.337308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.337308 (E_RNA)
where:
Base-Base interactions energy: -496.384
where: short stacking energy: -203.651
Base-Backbone interact. energy: -1.833
local terms energy: -222.119582
where:
bonds (distance) C4'-P energy: -40.728
bonds (distance) P-C4' energy: -50.351
flat angles C4'-P-C4' energy: -47.162
flat angles P-C4'-P energy: -28.692
tors. eta vs tors. theta energy: -55.186
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: 7, replica: 9
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -645.921686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.921686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.921686 (E_RNA)
where:
Base-Base interactions energy: -442.528
where: short stacking energy: -189.152
Base-Backbone interact. energy: -0.779
local terms energy: -202.614612
where:
bonds (distance) C4'-P energy: -45.738
bonds (distance) P-C4' energy: -43.659
flat angles C4'-P-C4' energy: -42.283
flat angles P-C4'-P energy: -28.775
tors. eta vs tors. theta energy: -42.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -510.820050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.820050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.820050 (E_RNA)
where:
Base-Base interactions energy: -337.774
where: short stacking energy: -151.272
Base-Backbone interact. energy: 5.271
local terms energy: -178.316771
where:
bonds (distance) C4'-P energy: -42.620
bonds (distance) P-C4' energy: -46.922
flat angles C4'-P-C4' energy: -44.943
flat angles P-C4'-P energy: -19.993
tors. eta vs tors. theta energy: -23.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -344.871072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.871072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.871072 (E_RNA)
where:
Base-Base interactions energy: -181.808
where: short stacking energy: -78.490
Base-Backbone interact. energy: 1.651
local terms energy: -164.713687
where:
bonds (distance) C4'-P energy: -43.109
bonds (distance) P-C4' energy: -51.287
flat angles C4'-P-C4' energy: -44.278
flat angles P-C4'-P energy: -21.704
tors. eta vs tors. theta energy: -4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -239.064530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.064530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.064530 (E_RNA)
where:
Base-Base interactions energy: -86.707
where: short stacking energy: -74.757
Base-Backbone interact. energy: -0.083
local terms energy: -152.274156
where:
bonds (distance) C4'-P energy: -32.612
bonds (distance) P-C4' energy: -49.250
flat angles C4'-P-C4' energy: -43.270
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -884.841695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.841695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.841695 (E_RNA)
where:
Base-Base interactions energy: -628.147
where: short stacking energy: -251.145
Base-Backbone interact. energy: -1.696
local terms energy: -254.998582
where:
bonds (distance) C4'-P energy: -50.895
bonds (distance) P-C4' energy: -47.511
flat angles C4'-P-C4' energy: -56.604
flat angles P-C4'-P energy: -32.347
tors. eta vs tors. theta energy: -67.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -847.285347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.285347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.285347 (E_RNA)
where:
Base-Base interactions energy: -599.156
where: short stacking energy: -235.575
Base-Backbone interact. energy: -2.022
local terms energy: -246.107370
where:
bonds (distance) C4'-P energy: -39.839
bonds (distance) P-C4' energy: -52.586
flat angles C4'-P-C4' energy: -54.359
flat angles P-C4'-P energy: -37.305
tors. eta vs tors. theta energy: -62.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -794.682235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.682235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.682235 (E_RNA)
where:
Base-Base interactions energy: -545.284
where: short stacking energy: -243.604
Base-Backbone interact. energy: -0.150
local terms energy: -249.248004
where:
bonds (distance) C4'-P energy: -45.074
bonds (distance) P-C4' energy: -44.914
flat angles C4'-P-C4' energy: -55.609
flat angles P-C4'-P energy: -34.020
tors. eta vs tors. theta energy: -69.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -797.662512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.662512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.662512 (E_RNA)
where:
Base-Base interactions energy: -549.936
where: short stacking energy: -233.575
Base-Backbone interact. energy: -0.738
local terms energy: -246.988221
where:
bonds (distance) C4'-P energy: -42.502
bonds (distance) P-C4' energy: -40.040
flat angles C4'-P-C4' energy: -58.241
flat angles P-C4'-P energy: -34.017
tors. eta vs tors. theta energy: -72.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -758.418628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.418628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.418628 (E_RNA)
where:
Base-Base interactions energy: -513.851
where: short stacking energy: -232.731
Base-Backbone interact. energy: -0.360
local terms energy: -244.207873
where:
bonds (distance) C4'-P energy: -41.092
bonds (distance) P-C4' energy: -48.990
flat angles C4'-P-C4' energy: -48.705
flat angles P-C4'-P energy: -37.651
tors. eta vs tors. theta energy: -67.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -738.883880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.883880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.883880 (E_RNA)
where:
Base-Base interactions energy: -520.657
where: short stacking energy: -215.255
Base-Backbone interact. energy: -1.039
local terms energy: -217.187826
where:
bonds (distance) C4'-P energy: -36.865
bonds (distance) P-C4' energy: -46.753
flat angles C4'-P-C4' energy: -52.323
flat angles P-C4'-P energy: -19.224
tors. eta vs tors. theta energy: -62.022
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: 9
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -635.258310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.258310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.258310 (E_RNA)
where:
Base-Base interactions energy: -429.941
where: short stacking energy: -178.690
Base-Backbone interact. energy: -1.283
local terms energy: -204.034372
where:
bonds (distance) C4'-P energy: -46.352
bonds (distance) P-C4' energy: -43.887
flat angles C4'-P-C4' energy: -47.514
flat angles P-C4'-P energy: -23.563
tors. eta vs tors. theta energy: -42.718
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: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -568.878466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.878466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.878466 (E_RNA)
where:
Base-Base interactions energy: -382.024
where: short stacking energy: -159.884
Base-Backbone interact. energy: -2.116
local terms energy: -184.738998
where:
bonds (distance) C4'-P energy: -39.363
bonds (distance) P-C4' energy: -38.812
flat angles C4'-P-C4' energy: -37.515
flat angles P-C4'-P energy: -24.671
tors. eta vs tors. theta energy: -44.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -353.723056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.723056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.723056 (E_RNA)
where:
Base-Base interactions energy: -189.937
where: short stacking energy: -95.439
Base-Backbone interact. energy: -0.151
local terms energy: -163.634864
where:
bonds (distance) C4'-P energy: -45.217
bonds (distance) P-C4' energy: -42.091
flat angles C4'-P-C4' energy: -39.547
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -10.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -239.447497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.447497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.447497 (E_RNA)
where:
Base-Base interactions energy: -92.993
where: short stacking energy: -82.890
Base-Backbone interact. energy: 1.078
local terms energy: -147.532899
where:
bonds (distance) C4'-P energy: -27.201
bonds (distance) P-C4' energy: -41.410
flat angles C4'-P-C4' energy: -28.535
flat angles P-C4'-P energy: -35.615
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -878.510292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.510292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.510292 (E_RNA)
where:
Base-Base interactions energy: -615.590
where: short stacking energy: -242.333
Base-Backbone interact. energy: -1.702
local terms energy: -261.218569
where:
bonds (distance) C4'-P energy: -53.607
bonds (distance) P-C4' energy: -51.343
flat angles C4'-P-C4' energy: -51.048
flat angles P-C4'-P energy: -41.673
tors. eta vs tors. theta energy: -63.548
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: 4
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -845.464220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.464220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.464220 (E_RNA)
where:
Base-Base interactions energy: -598.940
where: short stacking energy: -227.732
Base-Backbone interact. energy: -5.052
local terms energy: -241.472466
where:
bonds (distance) C4'-P energy: -49.087
bonds (distance) P-C4' energy: -45.620
flat angles C4'-P-C4' energy: -51.101
flat angles P-C4'-P energy: -33.363
tors. eta vs tors. theta energy: -62.302
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: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -812.208810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.208810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.208810 (E_RNA)
where:
Base-Base interactions energy: -558.908
where: short stacking energy: -237.190
Base-Backbone interact. energy: -1.303
local terms energy: -251.997783
where:
bonds (distance) C4'-P energy: -46.387
bonds (distance) P-C4' energy: -50.164
flat angles C4'-P-C4' energy: -51.288
flat angles P-C4'-P energy: -34.384
tors. eta vs tors. theta energy: -69.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -800.609101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.609101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.609101 (E_RNA)
where:
Base-Base interactions energy: -562.652
where: short stacking energy: -240.384
Base-Backbone interact. energy: -0.522
local terms energy: -237.434448
where:
bonds (distance) C4'-P energy: -41.300
bonds (distance) P-C4' energy: -46.519
flat angles C4'-P-C4' energy: -49.092
flat angles P-C4'-P energy: -35.248
tors. eta vs tors. theta energy: -65.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -765.567608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.567608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.567608 (E_RNA)
where:
Base-Base interactions energy: -532.015
where: short stacking energy: -236.267
Base-Backbone interact. energy: -1.527
local terms energy: -232.025828
where:
bonds (distance) C4'-P energy: -37.224
bonds (distance) P-C4' energy: -49.920
flat angles C4'-P-C4' energy: -48.430
flat angles P-C4'-P energy: -29.989
tors. eta vs tors. theta energy: -66.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -730.282184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.282184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.282184 (E_RNA)
where:
Base-Base interactions energy: -513.820
where: short stacking energy: -218.979
Base-Backbone interact. energy: -1.200
local terms energy: -215.262122
where:
bonds (distance) C4'-P energy: -38.217
bonds (distance) P-C4' energy: -46.173
flat angles C4'-P-C4' energy: -42.253
flat angles P-C4'-P energy: -30.108
tors. eta vs tors. theta energy: -58.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -607.204085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.204085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.204085 (E_RNA)
where:
Base-Base interactions energy: -390.232
where: short stacking energy: -173.731
Base-Backbone interact. energy: -0.627
local terms energy: -216.344647
where:
bonds (distance) C4'-P energy: -42.097
bonds (distance) P-C4' energy: -37.777
flat angles C4'-P-C4' energy: -51.291
flat angles P-C4'-P energy: -33.087
tors. eta vs tors. theta energy: -52.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -562.403387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.403387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.403387 (E_RNA)
where:
Base-Base interactions energy: -360.807
where: short stacking energy: -163.509
Base-Backbone interact. energy: 0.014
local terms energy: -201.610184
where:
bonds (distance) C4'-P energy: -49.284
bonds (distance) P-C4' energy: -48.129
flat angles C4'-P-C4' energy: -51.977
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -29.262
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: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -359.216426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.216426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.216426 (E_RNA)
where:
Base-Base interactions energy: -199.679
where: short stacking energy: -105.534
Base-Backbone interact. energy: -0.940
local terms energy: -158.597677
where:
bonds (distance) C4'-P energy: -44.240
bonds (distance) P-C4' energy: -42.748
flat angles C4'-P-C4' energy: -38.754
flat angles P-C4'-P energy: -25.809
tors. eta vs tors. theta energy: -7.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -231.720926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.720926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.720926 (E_RNA)
where:
Base-Base interactions energy: -88.923
where: short stacking energy: -85.822
Base-Backbone interact. energy: -0.766
local terms energy: -142.032451
where:
bonds (distance) C4'-P energy: -36.748
bonds (distance) P-C4' energy: -36.188
flat angles C4'-P-C4' energy: -43.084
flat angles P-C4'-P energy: -22.166
tors. eta vs tors. theta energy: -3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -888.733718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.733718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.733718 (E_RNA)
where:
Base-Base interactions energy: -635.331
where: short stacking energy: -246.781
Base-Backbone interact. energy: -2.105
local terms energy: -251.297677
where:
bonds (distance) C4'-P energy: -46.344
bonds (distance) P-C4' energy: -53.189
flat angles C4'-P-C4' energy: -53.714
flat angles P-C4'-P energy: -35.569
tors. eta vs tors. theta energy: -62.481
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: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -832.527463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.527463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.527463 (E_RNA)
where:
Base-Base interactions energy: -598.703
where: short stacking energy: -229.896
Base-Backbone interact. energy: -1.878
local terms energy: -231.946069
where:
bonds (distance) C4'-P energy: -46.178
bonds (distance) P-C4' energy: -47.237
flat angles C4'-P-C4' energy: -51.129
flat angles P-C4'-P energy: -36.270
tors. eta vs tors. theta energy: -51.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -799.081757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.081757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.081757 (E_RNA)
where:
Base-Base interactions energy: -547.422
where: short stacking energy: -225.702
Base-Backbone interact. energy: -1.108
local terms energy: -250.551425
where:
bonds (distance) C4'-P energy: -45.298
bonds (distance) P-C4' energy: -48.545
flat angles C4'-P-C4' energy: -53.067
flat angles P-C4'-P energy: -31.821
tors. eta vs tors. theta energy: -71.820
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: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -807.436137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.436137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.436137 (E_RNA)
where:
Base-Base interactions energy: -559.114
where: short stacking energy: -249.449
Base-Backbone interact. energy: -0.835
local terms energy: -247.487355
where:
bonds (distance) C4'-P energy: -38.967
bonds (distance) P-C4' energy: -50.706
flat angles C4'-P-C4' energy: -51.211
flat angles P-C4'-P energy: -36.177
tors. eta vs tors. theta energy: -70.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -756.662215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.662215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.662215 (E_RNA)
where:
Base-Base interactions energy: -508.399
where: short stacking energy: -225.590
Base-Backbone interact. energy: -0.036
local terms energy: -248.227341
where:
bonds (distance) C4'-P energy: -42.637
bonds (distance) P-C4' energy: -44.383
flat angles C4'-P-C4' energy: -54.644
flat angles P-C4'-P energy: -40.301
tors. eta vs tors. theta energy: -66.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -749.538018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.538018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.538018 (E_RNA)
where:
Base-Base interactions energy: -515.138
where: short stacking energy: -222.311
Base-Backbone interact. energy: -2.216
local terms energy: -232.183490
where:
bonds (distance) C4'-P energy: -48.416
bonds (distance) P-C4' energy: -43.712
flat angles C4'-P-C4' energy: -40.474
flat angles P-C4'-P energy: -30.119
tors. eta vs tors. theta energy: -69.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -637.927693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.927693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.927693 (E_RNA)
where:
Base-Base interactions energy: -427.322
where: short stacking energy: -199.704
Base-Backbone interact. energy: 0.043
local terms energy: -210.649067
where:
bonds (distance) C4'-P energy: -36.238
bonds (distance) P-C4' energy: -44.555
flat angles C4'-P-C4' energy: -44.521
flat angles P-C4'-P energy: -31.530
tors. eta vs tors. theta energy: -53.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -547.773295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.773295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.773295 (E_RNA)
where:
Base-Base interactions energy: -368.969
where: short stacking energy: -164.498
Base-Backbone interact. energy: 0.923
local terms energy: -179.727261
where:
bonds (distance) C4'-P energy: -35.879
bonds (distance) P-C4' energy: -49.531
flat angles C4'-P-C4' energy: -41.926
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -35.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -355.443942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.443942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.443942 (E_RNA)
where:
Base-Base interactions energy: -194.282
where: short stacking energy: -114.171
Base-Backbone interact. energy: -1.068
local terms energy: -160.093686
where:
bonds (distance) C4'-P energy: -40.526
bonds (distance) P-C4' energy: -44.350
flat angles C4'-P-C4' energy: -36.996
flat angles P-C4'-P energy: -33.291
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -246.054038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.054038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.054038 (E_RNA)
where:
Base-Base interactions energy: -109.911
where: short stacking energy: -79.411
Base-Backbone interact. energy: 1.517
local terms energy: -137.659681
where:
bonds (distance) C4'-P energy: -35.628
bonds (distance) P-C4' energy: -48.131
flat angles C4'-P-C4' energy: -29.310
flat angles P-C4'-P energy: -22.757
tors. eta vs tors. theta energy: -1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -869.744672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.744672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.744672 (E_RNA)
where:
Base-Base interactions energy: -605.877
where: short stacking energy: -249.136
Base-Backbone interact. energy: -1.306
local terms energy: -262.562100
where:
bonds (distance) C4'-P energy: -46.772
bonds (distance) P-C4' energy: -49.819
flat angles C4'-P-C4' energy: -59.427
flat angles P-C4'-P energy: -43.308
tors. eta vs tors. theta energy: -63.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -846.784249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.784249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.784249 (E_RNA)
where:
Base-Base interactions energy: -602.185
where: short stacking energy: -250.580
Base-Backbone interact. energy: -0.609
local terms energy: -243.990002
where:
bonds (distance) C4'-P energy: -44.422
bonds (distance) P-C4' energy: -45.015
flat angles C4'-P-C4' energy: -60.905
flat angles P-C4'-P energy: -32.865
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: 3, replica: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -805.860650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.860650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.860650 (E_RNA)
where:
Base-Base interactions energy: -562.129
where: short stacking energy: -224.464
Base-Backbone interact. energy: -0.771
local terms energy: -242.961150
where:
bonds (distance) C4'-P energy: -46.107
bonds (distance) P-C4' energy: -48.911
flat angles C4'-P-C4' energy: -53.469
flat angles P-C4'-P energy: -35.405
tors. eta vs tors. theta energy: -59.069
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: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -789.060562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.060562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.060562 (E_RNA)
where:
Base-Base interactions energy: -530.648
where: short stacking energy: -221.386
Base-Backbone interact. energy: -0.047
local terms energy: -258.364945
where:
bonds (distance) C4'-P energy: -49.921
bonds (distance) P-C4' energy: -52.276
flat angles C4'-P-C4' energy: -53.516
flat angles P-C4'-P energy: -35.994
tors. eta vs tors. theta energy: -66.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -779.252987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.252987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.252987 (E_RNA)
where:
Base-Base interactions energy: -528.248
where: short stacking energy: -239.979
Base-Backbone interact. energy: -1.128
local terms energy: -249.876857
where:
bonds (distance) C4'-P energy: -49.255
bonds (distance) P-C4' energy: -51.030
flat angles C4'-P-C4' energy: -52.599
flat angles P-C4'-P energy: -27.605
tors. eta vs tors. theta energy: -69.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -696.711534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.711534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.711534 (E_RNA)
where:
Base-Base interactions energy: -493.561
where: short stacking energy: -210.429
Base-Backbone interact. energy: -1.558
local terms energy: -201.592318
where:
bonds (distance) C4'-P energy: -34.097
bonds (distance) P-C4' energy: -34.521
flat angles C4'-P-C4' energy: -53.654
flat angles P-C4'-P energy: -27.849
tors. eta vs tors. theta energy: -51.472
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: 3
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -579.928274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.928274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.928274 (E_RNA)
where:
Base-Base interactions energy: -379.710
where: short stacking energy: -169.365
Base-Backbone interact. energy: -1.348
local terms energy: -198.870450
where:
bonds (distance) C4'-P energy: -36.286
bonds (distance) P-C4' energy: -40.994
flat angles C4'-P-C4' energy: -47.092
flat angles P-C4'-P energy: -27.086
tors. eta vs tors. theta energy: -47.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -613.834180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.834180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.834180 (E_RNA)
where:
Base-Base interactions energy: -416.213
where: short stacking energy: -190.425
Base-Backbone interact. energy: -0.724
local terms energy: -196.897264
where:
bonds (distance) C4'-P energy: -40.720
bonds (distance) P-C4' energy: -49.191
flat angles C4'-P-C4' energy: -36.265
flat angles P-C4'-P energy: -27.852
tors. eta vs tors. theta energy: -42.868
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: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -345.161210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.161210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.161210 (E_RNA)
where:
Base-Base interactions energy: -193.968
where: short stacking energy: -110.506
Base-Backbone interact. energy: -1.159
local terms energy: -150.034669
where:
bonds (distance) C4'-P energy: -36.128
bonds (distance) P-C4' energy: -44.951
flat angles C4'-P-C4' energy: -29.547
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -246.247314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.247314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.247314 (E_RNA)
where:
Base-Base interactions energy: -95.655
where: short stacking energy: -67.362
Base-Backbone interact. energy: 3.375
local terms energy: -153.967669
where:
bonds (distance) C4'-P energy: -47.008
bonds (distance) P-C4' energy: -44.818
flat angles C4'-P-C4' energy: -33.551
flat angles P-C4'-P energy: -27.026
tors. eta vs tors. theta energy: -1.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -874.866518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.866518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.866518 (E_RNA)
where:
Base-Base interactions energy: -617.202
where: short stacking energy: -255.628
Base-Backbone interact. energy: -1.407
local terms energy: -256.257725
where:
bonds (distance) C4'-P energy: -54.304
bonds (distance) P-C4' energy: -42.539
flat angles C4'-P-C4' energy: -53.845
flat angles P-C4'-P energy: -36.341
tors. eta vs tors. theta energy: -69.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -849.280854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.280854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.280854 (E_RNA)
where:
Base-Base interactions energy: -609.542
where: short stacking energy: -244.334
Base-Backbone interact. energy: -0.964
local terms energy: -238.774202
where:
bonds (distance) C4'-P energy: -46.891
bonds (distance) P-C4' energy: -45.891
flat angles C4'-P-C4' energy: -52.678
flat angles P-C4'-P energy: -37.124
tors. eta vs tors. theta energy: -56.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -816.553295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.553295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.553295 (E_RNA)
where:
Base-Base interactions energy: -557.809
where: short stacking energy: -240.097
Base-Backbone interact. energy: -0.582
local terms energy: -258.162076
where:
bonds (distance) C4'-P energy: -55.625
bonds (distance) P-C4' energy: -44.119
flat angles C4'-P-C4' energy: -53.889
flat angles P-C4'-P energy: -35.535
tors. eta vs tors. theta energy: -68.994
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: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -774.764661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.764661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.764661 (E_RNA)
where:
Base-Base interactions energy: -529.528
where: short stacking energy: -241.351
Base-Backbone interact. energy: -1.807
local terms energy: -243.429237
where:
bonds (distance) C4'-P energy: -44.754
bonds (distance) P-C4' energy: -40.908
flat angles C4'-P-C4' energy: -55.432
flat angles P-C4'-P energy: -35.732
tors. eta vs tors. theta energy: -66.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -752.339222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.339222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.339222 (E_RNA)
where:
Base-Base interactions energy: -516.593
where: short stacking energy: -218.982
Base-Backbone interact. energy: -1.930
local terms energy: -233.816590
where:
bonds (distance) C4'-P energy: -34.050
bonds (distance) P-C4' energy: -40.257
flat angles C4'-P-C4' energy: -53.287
flat angles P-C4'-P energy: -36.864
tors. eta vs tors. theta energy: -69.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -746.507960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.507960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.507960 (E_RNA)
where:
Base-Base interactions energy: -518.715
where: short stacking energy: -200.800
Base-Backbone interact. energy: -1.349
local terms energy: -226.444157
where:
bonds (distance) C4'-P energy: -47.876
bonds (distance) P-C4' energy: -41.516
flat angles C4'-P-C4' energy: -55.002
flat angles P-C4'-P energy: -27.114
tors. eta vs tors. theta energy: -54.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -554.046289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.046289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.046289 (E_RNA)
where:
Base-Base interactions energy: -351.394
where: short stacking energy: -149.390
Base-Backbone interact. energy: -1.045
local terms energy: -201.607493
where:
bonds (distance) C4'-P energy: -36.726
bonds (distance) P-C4' energy: -53.955
flat angles C4'-P-C4' energy: -53.718
flat angles P-C4'-P energy: -27.279
tors. eta vs tors. theta energy: -29.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -586.115823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.115823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.115823 (E_RNA)
where:
Base-Base interactions energy: -383.335
where: short stacking energy: -164.888
Base-Backbone interact. energy: -0.967
local terms energy: -201.814212
where:
bonds (distance) C4'-P energy: -36.194
bonds (distance) P-C4' energy: -49.152
flat angles C4'-P-C4' energy: -43.234
flat angles P-C4'-P energy: -33.257
tors. eta vs tors. theta energy: -39.977
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: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -365.132709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.132709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.132709 (E_RNA)
where:
Base-Base interactions energy: -210.163
where: short stacking energy: -101.863
Base-Backbone interact. energy: 2.100
local terms energy: -157.068887
where:
bonds (distance) C4'-P energy: -41.238
bonds (distance) P-C4' energy: -51.028
flat angles C4'-P-C4' energy: -37.122
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -242.032016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.032016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.032016 (E_RNA)
where:
Base-Base interactions energy: -87.009
where: short stacking energy: -63.853
Base-Backbone interact. energy: -1.404
local terms energy: -153.619394
where:
bonds (distance) C4'-P energy: -40.456
bonds (distance) P-C4' energy: -49.378
flat angles C4'-P-C4' energy: -30.791
flat angles P-C4'-P energy: -25.328
tors. eta vs tors. theta energy: -7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -844.172270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.172270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.172270 (E_RNA)
where:
Base-Base interactions energy: -599.880
where: short stacking energy: -245.306
Base-Backbone interact. energy: -1.556
local terms energy: -242.736465
where:
bonds (distance) C4'-P energy: -51.298
bonds (distance) P-C4' energy: -46.447
flat angles C4'-P-C4' energy: -52.870
flat angles P-C4'-P energy: -36.635
tors. eta vs tors. theta energy: -55.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -860.922838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.922838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.922838 (E_RNA)
where:
Base-Base interactions energy: -602.708
where: short stacking energy: -260.965
Base-Backbone interact. energy: 0.353
local terms energy: -258.567872
where:
bonds (distance) C4'-P energy: -47.021
bonds (distance) P-C4' energy: -50.863
flat angles C4'-P-C4' energy: -57.503
flat angles P-C4'-P energy: -37.806
tors. eta vs tors. theta energy: -65.374
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: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -808.969493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.969493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.969493 (E_RNA)
where:
Base-Base interactions energy: -565.049
where: short stacking energy: -239.665
Base-Backbone interact. energy: -1.014
local terms energy: -242.905738
where:
bonds (distance) C4'-P energy: -43.618
bonds (distance) P-C4' energy: -41.246
flat angles C4'-P-C4' energy: -54.725
flat angles P-C4'-P energy: -37.489
tors. eta vs tors. theta energy: -65.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -778.289924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.289924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.289924 (E_RNA)
where:
Base-Base interactions energy: -532.041
where: short stacking energy: -245.399
Base-Backbone interact. energy: -0.455
local terms energy: -245.794173
where:
bonds (distance) C4'-P energy: -47.228
bonds (distance) P-C4' energy: -40.559
flat angles C4'-P-C4' energy: -58.714
flat angles P-C4'-P energy: -31.142
tors. eta vs tors. theta energy: -68.151
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: 472
Temperature: 1.100000
Total energy: -767.398582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.398582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.398582 (E_RNA)
where:
Base-Base interactions energy: -532.081
where: short stacking energy: -239.137
Base-Backbone interact. energy: -1.456
local terms energy: -233.861145
where:
bonds (distance) C4'-P energy: -43.203
bonds (distance) P-C4' energy: -41.816
flat angles C4'-P-C4' energy: -51.193
flat angles P-C4'-P energy: -29.288
tors. eta vs tors. theta energy: -68.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -745.276093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.276093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.276093 (E_RNA)
where:
Base-Base interactions energy: -520.136
where: short stacking energy: -215.760
Base-Backbone interact. energy: -0.876
local terms energy: -224.264177
where:
bonds (distance) C4'-P energy: -43.746
bonds (distance) P-C4' energy: -46.580
flat angles C4'-P-C4' energy: -47.848
flat angles P-C4'-P energy: -27.066
tors. eta vs tors. theta energy: -59.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -605.766985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.766985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.766985 (E_RNA)
where:
Base-Base interactions energy: -401.620
where: short stacking energy: -176.920
Base-Backbone interact. energy: -0.087
local terms energy: -204.059720
where:
bonds (distance) C4'-P energy: -48.619
bonds (distance) P-C4' energy: -43.573
flat angles C4'-P-C4' energy: -47.152
flat angles P-C4'-P energy: -22.566
tors. eta vs tors. theta energy: -42.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -608.224219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.224219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.224219 (E_RNA)
where:
Base-Base interactions energy: -419.631
where: short stacking energy: -161.958
Base-Backbone interact. energy: 2.372
local terms energy: -190.965383
where:
bonds (distance) C4'-P energy: -49.101
bonds (distance) P-C4' energy: -44.589
flat angles C4'-P-C4' energy: -34.578
flat angles P-C4'-P energy: -29.865
tors. eta vs tors. theta energy: -32.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -325.449622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.449622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.449622 (E_RNA)
where:
Base-Base interactions energy: -171.779
where: short stacking energy: -80.020
Base-Backbone interact. energy: 0.045
local terms energy: -153.716051
where:
bonds (distance) C4'-P energy: -43.432
bonds (distance) P-C4' energy: -47.766
flat angles C4'-P-C4' energy: -37.018
flat angles P-C4'-P energy: -22.617
tors. eta vs tors. theta energy: -2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -215.764024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.764024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.764024 (E_RNA)
where:
Base-Base interactions energy: -79.610
where: short stacking energy: -48.769
Base-Backbone interact. energy: 1.429
local terms energy: -137.582863
where:
bonds (distance) C4'-P energy: -35.065
bonds (distance) P-C4' energy: -44.136
flat angles C4'-P-C4' energy: -33.926
flat angles P-C4'-P energy: -31.663
tors. eta vs tors. theta energy: 7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -827.769264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.769264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.769264 (E_RNA)
where:
Base-Base interactions energy: -588.353
where: short stacking energy: -239.808
Base-Backbone interact. energy: -0.262
local terms energy: -239.154683
where:
bonds (distance) C4'-P energy: -45.490
bonds (distance) P-C4' energy: -43.288
flat angles C4'-P-C4' energy: -55.670
flat angles P-C4'-P energy: -34.378
tors. eta vs tors. theta energy: -60.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -868.066143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.066143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.066143 (E_RNA)
where:
Base-Base interactions energy: -613.803
where: short stacking energy: -252.764
Base-Backbone interact. energy: 0.319
local terms energy: -254.582834
where:
bonds (distance) C4'-P energy: -42.725
bonds (distance) P-C4' energy: -46.661
flat angles C4'-P-C4' energy: -57.644
flat angles P-C4'-P energy: -38.125
tors. eta vs tors. theta energy: -69.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -799.465159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.465159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.465159 (E_RNA)
where:
Base-Base interactions energy: -554.972
where: short stacking energy: -233.369
Base-Backbone interact. energy: -0.648
local terms energy: -243.844958
where:
bonds (distance) C4'-P energy: -43.560
bonds (distance) P-C4' energy: -47.840
flat angles C4'-P-C4' energy: -48.266
flat angles P-C4'-P energy: -33.868
tors. eta vs tors. theta energy: -70.311
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: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -794.562529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.562529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.562529 (E_RNA)
where:
Base-Base interactions energy: -550.397
where: short stacking energy: -238.990
Base-Backbone interact. energy: 0.158
local terms energy: -244.323563
where:
bonds (distance) C4'-P energy: -48.019
bonds (distance) P-C4' energy: -41.659
flat angles C4'-P-C4' energy: -54.877
flat angles P-C4'-P energy: -33.009
tors. eta vs tors. theta energy: -66.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -772.000957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.000957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.000957 (E_RNA)
where:
Base-Base interactions energy: -523.339
where: short stacking energy: -228.394
Base-Backbone interact. energy: -2.502
local terms energy: -246.160154
where:
bonds (distance) C4'-P energy: -32.484
bonds (distance) P-C4' energy: -51.865
flat angles C4'-P-C4' energy: -50.965
flat angles P-C4'-P energy: -40.464
tors. eta vs tors. theta energy: -70.383
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: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -739.686857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.686857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.686857 (E_RNA)
where:
Base-Base interactions energy: -528.723
where: short stacking energy: -221.020
Base-Backbone interact. energy: -1.256
local terms energy: -209.707822
where:
bonds (distance) C4'-P energy: -51.089
bonds (distance) P-C4' energy: -29.260
flat angles C4'-P-C4' energy: -42.042
flat angles P-C4'-P energy: -30.200
tors. eta vs tors. theta energy: -57.117
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: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -642.388282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.388282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.388282 (E_RNA)
where:
Base-Base interactions energy: -447.495
where: short stacking energy: -208.837
Base-Backbone interact. energy: -0.477
local terms energy: -194.415805
where:
bonds (distance) C4'-P energy: -44.015
bonds (distance) P-C4' energy: -39.503
flat angles C4'-P-C4' energy: -41.197
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: -48.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -644.078496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.078496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.078496 (E_RNA)
where:
Base-Base interactions energy: -450.318
where: short stacking energy: -178.273
Base-Backbone interact. energy: -1.818
local terms energy: -191.942747
where:
bonds (distance) C4'-P energy: -37.392
bonds (distance) P-C4' energy: -43.360
flat angles C4'-P-C4' energy: -46.229
flat angles P-C4'-P energy: -24.999
tors. eta vs tors. theta energy: -39.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -388.548460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.548460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.548460 (E_RNA)
where:
Base-Base interactions energy: -224.341
where: short stacking energy: -107.010
Base-Backbone interact. energy: -0.430
local terms energy: -163.777182
where:
bonds (distance) C4'-P energy: -39.429
bonds (distance) P-C4' energy: -39.839
flat angles C4'-P-C4' energy: -38.930
flat angles P-C4'-P energy: -28.341
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -218.572625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.572625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.572625 (E_RNA)
where:
Base-Base interactions energy: -74.412
where: short stacking energy: -72.236
Base-Backbone interact. energy: -0.702
local terms energy: -143.457717
where:
bonds (distance) C4'-P energy: -46.755
bonds (distance) P-C4' energy: -38.894
flat angles C4'-P-C4' energy: -27.138
flat angles P-C4'-P energy: -23.604
tors. eta vs tors. theta energy: -7.067
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: 474
Temperature: 0.900000
Total energy: -867.015057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.015057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.015057 (E_RNA)
where:
Base-Base interactions energy: -617.289
where: short stacking energy: -257.723
Base-Backbone interact. energy: 0.393
local terms energy: -250.118425
where:
bonds (distance) C4'-P energy: -45.316
bonds (distance) P-C4' energy: -51.434
flat angles C4'-P-C4' energy: -53.957
flat angles P-C4'-P energy: -30.927
tors. eta vs tors. theta energy: -68.484
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: 2, replica: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -818.859848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.859848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.859848 (E_RNA)
where:
Base-Base interactions energy: -593.460
where: short stacking energy: -240.757
Base-Backbone interact. energy: -2.917
local terms energy: -222.482560
where:
bonds (distance) C4'-P energy: -47.802
bonds (distance) P-C4' energy: -36.532
flat angles C4'-P-C4' energy: -50.667
flat angles P-C4'-P energy: -28.861
tors. eta vs tors. theta energy: -58.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -809.753198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.753198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.753198 (E_RNA)
where:
Base-Base interactions energy: -554.883
where: short stacking energy: -236.078
Base-Backbone interact. energy: 0.296
local terms energy: -255.166781
where:
bonds (distance) C4'-P energy: -42.891
bonds (distance) P-C4' energy: -46.449
flat angles C4'-P-C4' energy: -60.060
flat angles P-C4'-P energy: -35.156
tors. eta vs tors. theta energy: -70.611
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: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -791.438498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.438498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.438498 (E_RNA)
where:
Base-Base interactions energy: -546.500
where: short stacking energy: -247.147
Base-Backbone interact. energy: 0.559
local terms energy: -245.498089
where:
bonds (distance) C4'-P energy: -47.314
bonds (distance) P-C4' energy: -35.323
flat angles C4'-P-C4' energy: -50.875
flat angles P-C4'-P energy: -40.115
tors. eta vs tors. theta energy: -71.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -753.414592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.414592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.414592 (E_RNA)
where:
Base-Base interactions energy: -514.457
where: short stacking energy: -227.892
Base-Backbone interact. energy: -2.081
local terms energy: -236.876944
where:
bonds (distance) C4'-P energy: -45.628
bonds (distance) P-C4' energy: -47.857
flat angles C4'-P-C4' energy: -44.918
flat angles P-C4'-P energy: -34.069
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: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -706.682025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.682025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.682025 (E_RNA)
where:
Base-Base interactions energy: -483.189
where: short stacking energy: -200.387
Base-Backbone interact. energy: -1.460
local terms energy: -222.032843
where:
bonds (distance) C4'-P energy: -43.825
bonds (distance) P-C4' energy: -38.861
flat angles C4'-P-C4' energy: -45.231
flat angles P-C4'-P energy: -42.423
tors. eta vs tors. theta energy: -51.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -619.588269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.588269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.588269 (E_RNA)
where:
Base-Base interactions energy: -425.983
where: short stacking energy: -180.435
Base-Backbone interact. energy: -1.847
local terms energy: -191.758197
where:
bonds (distance) C4'-P energy: -43.682
bonds (distance) P-C4' energy: -35.011
flat angles C4'-P-C4' energy: -50.973
flat angles P-C4'-P energy: -24.781
tors. eta vs tors. theta energy: -37.311
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: 9
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -618.840020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.840020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.840020 (E_RNA)
where:
Base-Base interactions energy: -425.886
where: short stacking energy: -192.620
Base-Backbone interact. energy: 1.748
local terms energy: -194.702314
where:
bonds (distance) C4'-P energy: -34.733
bonds (distance) P-C4' energy: -39.618
flat angles C4'-P-C4' energy: -43.204
flat angles P-C4'-P energy: -32.294
tors. eta vs tors. theta energy: -44.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -390.433985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.433985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.433985 (E_RNA)
where:
Base-Base interactions energy: -220.609
where: short stacking energy: -117.019
Base-Backbone interact. energy: 0.888
local terms energy: -170.712341
where:
bonds (distance) C4'-P energy: -36.217
bonds (distance) P-C4' energy: -49.402
flat angles C4'-P-C4' energy: -44.053
flat angles P-C4'-P energy: -23.591
tors. eta vs tors. theta energy: -17.449
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: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -237.018311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.018311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.018311 (E_RNA)
where:
Base-Base interactions energy: -74.618
where: short stacking energy: -71.014
Base-Backbone interact. energy: 3.060
local terms energy: -165.459689
where:
bonds (distance) C4'-P energy: -50.887
bonds (distance) P-C4' energy: -38.427
flat angles C4'-P-C4' energy: -47.784
flat angles P-C4'-P energy: -18.596
tors. eta vs tors. theta energy: -9.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -864.293884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.293884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.293884 (E_RNA)
where:
Base-Base interactions energy: -607.645
where: short stacking energy: -256.796
Base-Backbone interact. energy: -2.377
local terms energy: -254.271678
where:
bonds (distance) C4'-P energy: -48.657
bonds (distance) P-C4' energy: -46.910
flat angles C4'-P-C4' energy: -55.890
flat angles P-C4'-P energy: -36.138
tors. eta vs tors. theta energy: -66.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -831.434395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.434395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.434395 (E_RNA)
where:
Base-Base interactions energy: -588.952
where: short stacking energy: -261.374
Base-Backbone interact. energy: 1.819
local terms energy: -244.300553
where:
bonds (distance) C4'-P energy: -39.627
bonds (distance) P-C4' energy: -40.505
flat angles C4'-P-C4' energy: -52.849
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -72.144
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: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -784.034752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.034752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.034752 (E_RNA)
where:
Base-Base interactions energy: -552.864
where: short stacking energy: -224.005
Base-Backbone interact. energy: -0.892
local terms energy: -230.278934
where:
bonds (distance) C4'-P energy: -35.271
bonds (distance) P-C4' energy: -49.993
flat angles C4'-P-C4' energy: -50.516
flat angles P-C4'-P energy: -36.687
tors. eta vs tors. theta energy: -57.812
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: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -819.618177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.618177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.618177 (E_RNA)
where:
Base-Base interactions energy: -568.070
where: short stacking energy: -250.121
Base-Backbone interact. energy: -0.905
local terms energy: -250.643512
where:
bonds (distance) C4'-P energy: -47.645
bonds (distance) P-C4' energy: -51.427
flat angles C4'-P-C4' energy: -49.942
flat angles P-C4'-P energy: -31.443
tors. eta vs tors. theta energy: -70.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -771.835992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.835992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.835992 (E_RNA)
where:
Base-Base interactions energy: -533.761
where: short stacking energy: -227.835
Base-Backbone interact. energy: -3.559
local terms energy: -234.515350
where:
bonds (distance) C4'-P energy: -42.553
bonds (distance) P-C4' energy: -35.885
flat angles C4'-P-C4' energy: -56.583
flat angles P-C4'-P energy: -28.527
tors. eta vs tors. theta energy: -70.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -718.662938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.662938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.662938 (E_RNA)
where:
Base-Base interactions energy: -491.914
where: short stacking energy: -216.244
Base-Backbone interact. energy: -1.461
local terms energy: -225.288215
where:
bonds (distance) C4'-P energy: -46.245
bonds (distance) P-C4' energy: -51.310
flat angles C4'-P-C4' energy: -44.231
flat angles P-C4'-P energy: -29.827
tors. eta vs tors. theta energy: -53.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -627.469892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.469892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.469892 (E_RNA)
where:
Base-Base interactions energy: -432.432
where: short stacking energy: -177.381
Base-Backbone interact. energy: 0.339
local terms energy: -195.376837
where:
bonds (distance) C4'-P energy: -44.345
bonds (distance) P-C4' energy: -42.822
flat angles C4'-P-C4' energy: -41.397
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: -39.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -617.003441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.003441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.003441 (E_RNA)
where:
Base-Base interactions energy: -410.643
where: short stacking energy: -199.888
Base-Backbone interact. energy: 0.032
local terms energy: -206.392171
where:
bonds (distance) C4'-P energy: -33.871
bonds (distance) P-C4' energy: -47.227
flat angles C4'-P-C4' energy: -42.882
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -57.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -373.206681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.206681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.206681 (E_RNA)
where:
Base-Base interactions energy: -213.838
where: short stacking energy: -92.620
Base-Backbone interact. energy: -0.338
local terms energy: -159.031215
where:
bonds (distance) C4'-P energy: -34.510
bonds (distance) P-C4' energy: -45.420
flat angles C4'-P-C4' energy: -38.913
flat angles P-C4'-P energy: -25.389
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -209.885305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.885305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.885305 (E_RNA)
where:
Base-Base interactions energy: -90.627
where: short stacking energy: -63.770
Base-Backbone interact. energy: -0.085
local terms energy: -119.173141
where:
bonds (distance) C4'-P energy: -36.728
bonds (distance) P-C4' energy: -26.490
flat angles C4'-P-C4' energy: -42.685
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: 5.470
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: 1, replica: 10
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -886.969459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.969459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.969459 (E_RNA)
where:
Base-Base interactions energy: -630.202
where: short stacking energy: -257.982
Base-Backbone interact. energy: -0.930
local terms energy: -255.837311
where:
bonds (distance) C4'-P energy: -46.238
bonds (distance) P-C4' energy: -47.676
flat angles C4'-P-C4' energy: -51.706
flat angles P-C4'-P energy: -39.392
tors. eta vs tors. theta energy: -70.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -840.003477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.003477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.003477 (E_RNA)
where:
Base-Base interactions energy: -595.450
where: short stacking energy: -271.154
Base-Backbone interact. energy: -0.413
local terms energy: -244.139850
where:
bonds (distance) C4'-P energy: -43.100
bonds (distance) P-C4' energy: -38.920
flat angles C4'-P-C4' energy: -56.609
flat angles P-C4'-P energy: -25.954
tors. eta vs tors. theta energy: -79.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -811.513309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.513309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.513309 (E_RNA)
where:
Base-Base interactions energy: -564.553
where: short stacking energy: -241.011
Base-Backbone interact. energy: -0.897
local terms energy: -246.063580
where:
bonds (distance) C4'-P energy: -45.968
bonds (distance) P-C4' energy: -39.912
flat angles C4'-P-C4' energy: -52.383
flat angles P-C4'-P energy: -39.603
tors. eta vs tors. theta energy: -68.198
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: 4, replica: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -790.795787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.795787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.795787 (E_RNA)
where:
Base-Base interactions energy: -562.333
where: short stacking energy: -222.042
Base-Backbone interact. energy: 1.582
local terms energy: -230.044981
where:
bonds (distance) C4'-P energy: -44.345
bonds (distance) P-C4' energy: -53.737
flat angles C4'-P-C4' energy: -46.244
flat angles P-C4'-P energy: -32.399
tors. eta vs tors. theta energy: -53.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -761.251307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.251307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.251307 (E_RNA)
where:
Base-Base interactions energy: -527.455
where: short stacking energy: -218.837
Base-Backbone interact. energy: 0.276
local terms energy: -234.072083
where:
bonds (distance) C4'-P energy: -44.973
bonds (distance) P-C4' energy: -46.683
flat angles C4'-P-C4' energy: -52.262
flat angles P-C4'-P energy: -28.877
tors. eta vs tors. theta energy: -61.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -700.016521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.016521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.016521 (E_RNA)
where:
Base-Base interactions energy: -494.644
where: short stacking energy: -196.844
Base-Backbone interact. energy: -0.453
local terms energy: -204.919808
where:
bonds (distance) C4'-P energy: -36.518
bonds (distance) P-C4' energy: -46.399
flat angles C4'-P-C4' energy: -39.451
flat angles P-C4'-P energy: -25.070
tors. eta vs tors. theta energy: -57.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -635.913524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.913524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.913524 (E_RNA)
where:
Base-Base interactions energy: -429.150
where: short stacking energy: -188.526
Base-Backbone interact. energy: 0.582
local terms energy: -207.345454
where:
bonds (distance) C4'-P energy: -49.753
bonds (distance) P-C4' energy: -48.519
flat angles C4'-P-C4' energy: -45.747
flat angles P-C4'-P energy: -20.406
tors. eta vs tors. theta energy: -42.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -608.091985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.091985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.091985 (E_RNA)
where:
Base-Base interactions energy: -435.487
where: short stacking energy: -149.561
Base-Backbone interact. energy: -1.300
local terms energy: -171.305920
where:
bonds (distance) C4'-P energy: -36.249
bonds (distance) P-C4' energy: -36.828
flat angles C4'-P-C4' energy: -31.140
flat angles P-C4'-P energy: -32.738
tors. eta vs tors. theta energy: -34.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -390.657470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.657470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.657470 (E_RNA)
where:
Base-Base interactions energy: -218.668
where: short stacking energy: -119.699
Base-Backbone interact. energy: -1.098
local terms energy: -170.891987
where:
bonds (distance) C4'-P energy: -37.325
bonds (distance) P-C4' energy: -37.850
flat angles C4'-P-C4' energy: -47.278
flat angles P-C4'-P energy: -22.075
tors. eta vs tors. theta energy: -26.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -263.001749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.001749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.001749 (E_RNA)
where:
Base-Base interactions energy: -122.011
where: short stacking energy: -71.014
Base-Backbone interact. energy: -0.225
local terms energy: -140.764880
where:
bonds (distance) C4'-P energy: -41.356
bonds (distance) P-C4' energy: -44.834
flat angles C4'-P-C4' energy: -30.646
flat angles P-C4'-P energy: -20.954
tors. eta vs tors. theta energy: -2.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -875.145598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.145598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.145598 (E_RNA)
where:
Base-Base interactions energy: -629.243
where: short stacking energy: -259.955
Base-Backbone interact. energy: -0.226
local terms energy: -245.675824
where:
bonds (distance) C4'-P energy: -38.034
bonds (distance) P-C4' energy: -48.825
flat angles C4'-P-C4' energy: -59.991
flat angles P-C4'-P energy: -36.612
tors. eta vs tors. theta energy: -62.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -825.066852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.066852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.066852 (E_RNA)
where:
Base-Base interactions energy: -571.542
where: short stacking energy: -254.569
Base-Backbone interact. energy: -0.110
local terms energy: -253.414936
where:
bonds (distance) C4'-P energy: -44.950
bonds (distance) P-C4' energy: -41.938
flat angles C4'-P-C4' energy: -58.155
flat angles P-C4'-P energy: -36.777
tors. eta vs tors. theta energy: -71.596
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: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -828.110636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.110636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.110636 (E_RNA)
where:
Base-Base interactions energy: -584.358
where: short stacking energy: -274.688
Base-Backbone interact. energy: -0.595
local terms energy: -243.157431
where:
bonds (distance) C4'-P energy: -29.610
bonds (distance) P-C4' energy: -47.842
flat angles C4'-P-C4' energy: -54.252
flat angles P-C4'-P energy: -29.591
tors. eta vs tors. theta energy: -81.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -765.686308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.686308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.686308 (E_RNA)
where:
Base-Base interactions energy: -546.683
where: short stacking energy: -220.725
Base-Backbone interact. energy: -1.737
local terms energy: -217.266111
where:
bonds (distance) C4'-P energy: -42.915
bonds (distance) P-C4' energy: -43.955
flat angles C4'-P-C4' energy: -50.441
flat angles P-C4'-P energy: -28.285
tors. eta vs tors. theta energy: -51.671
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: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -765.500438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.500438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.500438 (E_RNA)
where:
Base-Base interactions energy: -516.719
where: short stacking energy: -220.665
Base-Backbone interact. energy: -1.509
local terms energy: -247.271909
where:
bonds (distance) C4'-P energy: -49.578
bonds (distance) P-C4' energy: -47.015
flat angles C4'-P-C4' energy: -46.137
flat angles P-C4'-P energy: -39.849
tors. eta vs tors. theta energy: -64.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -692.910335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.910335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.910335 (E_RNA)
where:
Base-Base interactions energy: -478.935
where: short stacking energy: -201.935
Base-Backbone interact. energy: -1.347
local terms energy: -212.628841
where:
bonds (distance) C4'-P energy: -48.085
bonds (distance) P-C4' energy: -43.099
flat angles C4'-P-C4' energy: -41.349
flat angles P-C4'-P energy: -27.840
tors. eta vs tors. theta energy: -52.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -636.907086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.907086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.907086 (E_RNA)
where:
Base-Base interactions energy: -431.870
where: short stacking energy: -182.279
Base-Backbone interact. energy: -0.821
local terms energy: -204.216066
where:
bonds (distance) C4'-P energy: -44.732
bonds (distance) P-C4' energy: -35.584
flat angles C4'-P-C4' energy: -44.098
flat angles P-C4'-P energy: -33.560
tors. eta vs tors. theta energy: -46.242
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: 3
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -618.339697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.339697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.339697 (E_RNA)
where:
Base-Base interactions energy: -421.977
where: short stacking energy: -167.283
Base-Backbone interact. energy: -2.323
local terms energy: -194.040167
where:
bonds (distance) C4'-P energy: -48.415
bonds (distance) P-C4' energy: -39.133
flat angles C4'-P-C4' energy: -44.929
flat angles P-C4'-P energy: -25.374
tors. eta vs tors. theta energy: -36.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -394.458556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.458556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.458556 (E_RNA)
where:
Base-Base interactions energy: -253.954
where: short stacking energy: -123.552
Base-Backbone interact. energy: -2.113
local terms energy: -138.392057
where:
bonds (distance) C4'-P energy: -36.629
bonds (distance) P-C4' energy: -42.801
flat angles C4'-P-C4' energy: -30.769
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -16.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -278.482899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.482899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.482899 (E_RNA)
where:
Base-Base interactions energy: -152.294
where: short stacking energy: -86.897
Base-Backbone interact. energy: 4.193
local terms energy: -130.381883
where:
bonds (distance) C4'-P energy: -40.730
bonds (distance) P-C4' energy: -37.805
flat angles C4'-P-C4' energy: -29.076
flat angles P-C4'-P energy: -27.845
tors. eta vs tors. theta energy: 5.074
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: 478
Temperature: 0.900000
Total energy: -873.855816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.855816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.855816 (E_RNA)
where:
Base-Base interactions energy: -627.862
where: short stacking energy: -255.377
Base-Backbone interact. energy: 1.745
local terms energy: -247.738880
where:
bonds (distance) C4'-P energy: -52.196
bonds (distance) P-C4' energy: -49.158
flat angles C4'-P-C4' energy: -50.845
flat angles P-C4'-P energy: -33.539
tors. eta vs tors. theta energy: -62.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -816.731384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.731384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.731384 (E_RNA)
where:
Base-Base interactions energy: -571.393
where: short stacking energy: -264.425
Base-Backbone interact. energy: -0.386
local terms energy: -244.952511
where:
bonds (distance) C4'-P energy: -39.306
bonds (distance) P-C4' energy: -50.343
flat angles C4'-P-C4' energy: -50.557
flat angles P-C4'-P energy: -32.709
tors. eta vs tors. theta energy: -72.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -798.700433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.700433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.700433 (E_RNA)
where:
Base-Base interactions energy: -553.611
where: short stacking energy: -222.210
Base-Backbone interact. energy: -1.530
local terms energy: -243.558812
where:
bonds (distance) C4'-P energy: -43.715
bonds (distance) P-C4' energy: -40.469
flat angles C4'-P-C4' energy: -55.250
flat angles P-C4'-P energy: -34.575
tors. eta vs tors. theta energy: -69.550
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: 478
Temperature: 1.050000
Total energy: -798.435093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.435093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.435093 (E_RNA)
where:
Base-Base interactions energy: -551.649
where: short stacking energy: -249.090
Base-Backbone interact. energy: -0.887
local terms energy: -245.898763
where:
bonds (distance) C4'-P energy: -47.715
bonds (distance) P-C4' energy: -41.590
flat angles C4'-P-C4' energy: -49.325
flat angles P-C4'-P energy: -36.425
tors. eta vs tors. theta energy: -70.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -794.179058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.179058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.179058 (E_RNA)
where:
Base-Base interactions energy: -551.353
where: short stacking energy: -244.524
Base-Backbone interact. energy: -0.306
local terms energy: -242.520594
where:
bonds (distance) C4'-P energy: -43.359
bonds (distance) P-C4' energy: -49.289
flat angles C4'-P-C4' energy: -45.645
flat angles P-C4'-P energy: -34.712
tors. eta vs tors. theta energy: -69.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -710.943747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.943747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.943747 (E_RNA)
where:
Base-Base interactions energy: -484.755
where: short stacking energy: -206.212
Base-Backbone interact. energy: -2.224
local terms energy: -223.964660
where:
bonds (distance) C4'-P energy: -48.544
bonds (distance) P-C4' energy: -42.010
flat angles C4'-P-C4' energy: -44.725
flat angles P-C4'-P energy: -31.851
tors. eta vs tors. theta energy: -56.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -615.605638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.605638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.605638 (E_RNA)
where:
Base-Base interactions energy: -417.496
where: short stacking energy: -190.210
Base-Backbone interact. energy: -0.790
local terms energy: -197.320311
where:
bonds (distance) C4'-P energy: -39.623
bonds (distance) P-C4' energy: -41.508
flat angles C4'-P-C4' energy: -42.002
flat angles P-C4'-P energy: -25.213
tors. eta vs tors. theta energy: -48.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -596.528296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.528296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.528296 (E_RNA)
where:
Base-Base interactions energy: -412.898
where: short stacking energy: -182.393
Base-Backbone interact. energy: -1.002
local terms energy: -182.628833
where:
bonds (distance) C4'-P energy: -48.027
bonds (distance) P-C4' energy: -38.784
flat angles C4'-P-C4' energy: -35.985
flat angles P-C4'-P energy: -18.179
tors. eta vs tors. theta energy: -41.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -438.111409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.111409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.111409 (E_RNA)
where:
Base-Base interactions energy: -276.354
where: short stacking energy: -125.686
Base-Backbone interact. energy: -0.516
local terms energy: -161.241495
where:
bonds (distance) C4'-P energy: -42.380
bonds (distance) P-C4' energy: -34.737
flat angles C4'-P-C4' energy: -42.554
flat angles P-C4'-P energy: -16.620
tors. eta vs tors. theta energy: -24.951
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: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -290.092808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.092808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.092808 (E_RNA)
where:
Base-Base interactions energy: -139.565
where: short stacking energy: -80.478
Base-Backbone interact. energy: 0.660
local terms energy: -151.187250
where:
bonds (distance) C4'-P energy: -43.731
bonds (distance) P-C4' energy: -42.618
flat angles C4'-P-C4' energy: -36.993
flat angles P-C4'-P energy: -29.963
tors. eta vs tors. theta energy: 2.118
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: 479
Temperature: 0.900000
Total energy: -880.683716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.683716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.683716 (E_RNA)
where:
Base-Base interactions energy: -621.743
where: short stacking energy: -249.442
Base-Backbone interact. energy: -0.927
local terms energy: -258.013577
where:
bonds (distance) C4'-P energy: -52.030
bonds (distance) P-C4' energy: -52.091
flat angles C4'-P-C4' energy: -55.712
flat angles P-C4'-P energy: -38.248
tors. eta vs tors. theta energy: -59.933
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: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -833.502859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.502859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.502859 (E_RNA)
where:
Base-Base interactions energy: -585.475
where: short stacking energy: -234.044
Base-Backbone interact. energy: -0.575
local terms energy: -247.452713
where:
bonds (distance) C4'-P energy: -43.902
bonds (distance) P-C4' energy: -41.917
flat angles C4'-P-C4' energy: -50.384
flat angles P-C4'-P energy: -40.650
tors. eta vs tors. theta energy: -70.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -810.306641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.306641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.306641 (E_RNA)
where:
Base-Base interactions energy: -583.952
where: short stacking energy: -259.131
Base-Backbone interact. energy: -0.588
local terms energy: -225.766565
where:
bonds (distance) C4'-P energy: -34.252
bonds (distance) P-C4' energy: -41.026
flat angles C4'-P-C4' energy: -51.947
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -74.119
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: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -771.357091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.357091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.357091 (E_RNA)
where:
Base-Base interactions energy: -539.275
where: short stacking energy: -232.409
Base-Backbone interact. energy: -0.416
local terms energy: -231.665858
where:
bonds (distance) C4'-P energy: -36.414
bonds (distance) P-C4' energy: -43.842
flat angles C4'-P-C4' energy: -47.527
flat angles P-C4'-P energy: -32.776
tors. eta vs tors. theta energy: -71.107
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: 479
Temperature: 1.100000
Total energy: -774.124036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.124036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.124036 (E_RNA)
where:
Base-Base interactions energy: -527.453
where: short stacking energy: -236.207
Base-Backbone interact. energy: 1.855
local terms energy: -248.526037
where:
bonds (distance) C4'-P energy: -50.872
bonds (distance) P-C4' energy: -44.397
flat angles C4'-P-C4' energy: -56.252
flat angles P-C4'-P energy: -32.783
tors. eta vs tors. theta energy: -64.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -714.821387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.821387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.821387 (E_RNA)
where:
Base-Base interactions energy: -478.183
where: short stacking energy: -204.421
Base-Backbone interact. energy: -1.230
local terms energy: -235.408614
where:
bonds (distance) C4'-P energy: -41.053
bonds (distance) P-C4' energy: -53.697
flat angles C4'-P-C4' energy: -51.776
flat angles P-C4'-P energy: -34.235
tors. eta vs tors. theta energy: -54.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -621.128829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.128829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.128829 (E_RNA)
where:
Base-Base interactions energy: -423.710
where: short stacking energy: -171.245
Base-Backbone interact. energy: -1.102
local terms energy: -196.316895
where:
bonds (distance) C4'-P energy: -42.840
bonds (distance) P-C4' energy: -42.515
flat angles C4'-P-C4' energy: -47.538
flat angles P-C4'-P energy: -32.632
tors. eta vs tors. theta energy: -30.792
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: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -600.464823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.464823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.464823 (E_RNA)
where:
Base-Base interactions energy: -392.799
where: short stacking energy: -189.558
Base-Backbone interact. energy: 2.500
local terms energy: -210.166292
where:
bonds (distance) C4'-P energy: -41.000
bonds (distance) P-C4' energy: -35.464
flat angles C4'-P-C4' energy: -48.747
flat angles P-C4'-P energy: -30.363
tors. eta vs tors. theta energy: -54.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -418.982718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.982718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.982718 (E_RNA)
where:
Base-Base interactions energy: -255.674
where: short stacking energy: -124.443
Base-Backbone interact. energy: 1.327
local terms energy: -164.635441
where:
bonds (distance) C4'-P energy: -47.296
bonds (distance) P-C4' energy: -45.502
flat angles C4'-P-C4' energy: -35.536
flat angles P-C4'-P energy: -24.696
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -284.390977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.390977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.390977 (E_RNA)
where:
Base-Base interactions energy: -145.717
where: short stacking energy: -91.710
Base-Backbone interact. energy: -1.261
local terms energy: -137.412647
where:
bonds (distance) C4'-P energy: -41.969
bonds (distance) P-C4' energy: -46.942
flat angles C4'-P-C4' energy: -35.881
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: 3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -865.377264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.377264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.377264 (E_RNA)
where:
Base-Base interactions energy: -608.462
where: short stacking energy: -234.875
Base-Backbone interact. energy: -1.631
local terms energy: -255.283896
where:
bonds (distance) C4'-P energy: -42.630
bonds (distance) P-C4' energy: -50.143
flat angles C4'-P-C4' energy: -60.979
flat angles P-C4'-P energy: -42.377
tors. eta vs tors. theta energy: -59.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -829.916256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.916256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.916256 (E_RNA)
where:
Base-Base interactions energy: -584.082
where: short stacking energy: -239.540
Base-Backbone interact. energy: 0.404
local terms energy: -246.237354
where:
bonds (distance) C4'-P energy: -46.879
bonds (distance) P-C4' energy: -47.069
flat angles C4'-P-C4' energy: -59.133
flat angles P-C4'-P energy: -36.448
tors. eta vs tors. theta energy: -56.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -829.469046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.469046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.469046 (E_RNA)
where:
Base-Base interactions energy: -584.426
where: short stacking energy: -254.663
Base-Backbone interact. energy: -0.405
local terms energy: -244.638115
where:
bonds (distance) C4'-P energy: -40.567
bonds (distance) P-C4' energy: -44.843
flat angles C4'-P-C4' energy: -52.245
flat angles P-C4'-P energy: -36.519
tors. eta vs tors. theta energy: -70.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -780.388891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.388891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.388891 (E_RNA)
where:
Base-Base interactions energy: -524.417
where: short stacking energy: -232.984
Base-Backbone interact. energy: -2.956
local terms energy: -253.015446
where:
bonds (distance) C4'-P energy: -45.981
bonds (distance) P-C4' energy: -41.753
flat angles C4'-P-C4' energy: -53.672
flat angles P-C4'-P energy: -40.599
tors. eta vs tors. theta energy: -71.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -790.679423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.679423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.679423 (E_RNA)
where:
Base-Base interactions energy: -544.192
where: short stacking energy: -238.466
Base-Backbone interact. energy: -0.248
local terms energy: -246.240165
where:
bonds (distance) C4'-P energy: -39.154
bonds (distance) P-C4' energy: -43.468
flat angles C4'-P-C4' energy: -61.082
flat angles P-C4'-P energy: -35.556
tors. eta vs tors. theta energy: -66.981
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: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -721.178932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.178932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.178932 (E_RNA)
where:
Base-Base interactions energy: -486.203
where: short stacking energy: -201.490
Base-Backbone interact. energy: -1.396
local terms energy: -233.580177
where:
bonds (distance) C4'-P energy: -47.012
bonds (distance) P-C4' energy: -47.569
flat angles C4'-P-C4' energy: -55.416
flat angles P-C4'-P energy: -32.701
tors. eta vs tors. theta energy: -50.883
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: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -659.251738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.251738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.251738 (E_RNA)
where:
Base-Base interactions energy: -441.382
where: short stacking energy: -200.165
Base-Backbone interact. energy: -1.066
local terms energy: -216.804120
where:
bonds (distance) C4'-P energy: -36.098
bonds (distance) P-C4' energy: -45.339
flat angles C4'-P-C4' energy: -47.277
flat angles P-C4'-P energy: -39.213
tors. eta vs tors. theta energy: -48.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -595.941965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.941965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.941965 (E_RNA)
where:
Base-Base interactions energy: -386.933
where: short stacking energy: -167.839
Base-Backbone interact. energy: -1.118
local terms energy: -207.890562
where:
bonds (distance) C4'-P energy: -34.612
bonds (distance) P-C4' energy: -41.319
flat angles C4'-P-C4' energy: -50.254
flat angles P-C4'-P energy: -36.932
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: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -416.976760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.976760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.976760 (E_RNA)
where:
Base-Base interactions energy: -252.705
where: short stacking energy: -129.701
Base-Backbone interact. energy: -0.728
local terms energy: -163.544050
where:
bonds (distance) C4'-P energy: -36.557
bonds (distance) P-C4' energy: -40.223
flat angles C4'-P-C4' energy: -44.431
flat angles P-C4'-P energy: -24.533
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: 10, replica: 7
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -220.589432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.589432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.589432 (E_RNA)
where:
Base-Base interactions energy: -82.521
where: short stacking energy: -79.900
Base-Backbone interact. energy: -0.910
local terms energy: -137.158341
where:
bonds (distance) C4'-P energy: -31.305
bonds (distance) P-C4' energy: -44.471
flat angles C4'-P-C4' energy: -37.753
flat angles P-C4'-P energy: -21.507
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -881.412040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.412040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.412040 (E_RNA)
where:
Base-Base interactions energy: -622.024
where: short stacking energy: -248.633
Base-Backbone interact. energy: -2.399
local terms energy: -256.988364
where:
bonds (distance) C4'-P energy: -45.727
bonds (distance) P-C4' energy: -47.096
flat angles C4'-P-C4' energy: -58.586
flat angles P-C4'-P energy: -42.580
tors. eta vs tors. theta energy: -62.999
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: 2, replica: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -843.092762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.092762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.092762 (E_RNA)
where:
Base-Base interactions energy: -579.623
where: short stacking energy: -262.570
Base-Backbone interact. energy: -1.257
local terms energy: -262.212905
where:
bonds (distance) C4'-P energy: -38.949
bonds (distance) P-C4' energy: -50.702
flat angles C4'-P-C4' energy: -50.763
flat angles P-C4'-P energy: -37.996
tors. eta vs tors. theta energy: -83.803
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: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -802.757603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.757603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.757603 (E_RNA)
where:
Base-Base interactions energy: -558.406
where: short stacking energy: -239.839
Base-Backbone interact. energy: -0.853
local terms energy: -243.498346
where:
bonds (distance) C4'-P energy: -43.976
bonds (distance) P-C4' energy: -51.603
flat angles C4'-P-C4' energy: -52.572
flat angles P-C4'-P energy: -36.909
tors. eta vs tors. theta energy: -58.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -789.749173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.749173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.749173 (E_RNA)
where:
Base-Base interactions energy: -549.258
where: short stacking energy: -256.816
Base-Backbone interact. energy: -0.024
local terms energy: -240.466914
where:
bonds (distance) C4'-P energy: -33.365
bonds (distance) P-C4' energy: -51.734
flat angles C4'-P-C4' energy: -50.656
flat angles P-C4'-P energy: -35.079
tors. eta vs tors. theta energy: -69.634
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: 481
Temperature: 1.100000
Total energy: -776.406834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.406834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.406834 (E_RNA)
where:
Base-Base interactions energy: -549.939
where: short stacking energy: -237.524
Base-Backbone interact. energy: -1.949
local terms energy: -224.518786
where:
bonds (distance) C4'-P energy: -44.269
bonds (distance) P-C4' energy: -42.981
flat angles C4'-P-C4' energy: -43.761
flat angles P-C4'-P energy: -28.421
tors. eta vs tors. theta energy: -65.087
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: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -719.600802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.600802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.600802 (E_RNA)
where:
Base-Base interactions energy: -495.624
where: short stacking energy: -202.666
Base-Backbone interact. energy: -1.824
local terms energy: -222.153185
where:
bonds (distance) C4'-P energy: -42.223
bonds (distance) P-C4' energy: -43.078
flat angles C4'-P-C4' energy: -50.687
flat angles P-C4'-P energy: -30.997
tors. eta vs tors. theta energy: -55.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -661.151921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.151921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.151921 (E_RNA)
where:
Base-Base interactions energy: -448.210
where: short stacking energy: -194.248
Base-Backbone interact. energy: 0.888
local terms energy: -213.830097
where:
bonds (distance) C4'-P energy: -48.723
bonds (distance) P-C4' energy: -33.523
flat angles C4'-P-C4' energy: -48.175
flat angles P-C4'-P energy: -33.051
tors. eta vs tors. theta energy: -50.357
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: 9
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -611.737226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.737226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.737226 (E_RNA)
where:
Base-Base interactions energy: -407.557
where: short stacking energy: -178.110
Base-Backbone interact. energy: -0.675
local terms energy: -203.504786
where:
bonds (distance) C4'-P energy: -41.883
bonds (distance) P-C4' energy: -34.057
flat angles C4'-P-C4' energy: -49.950
flat angles P-C4'-P energy: -27.805
tors. eta vs tors. theta energy: -49.810
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: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -438.968315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.968315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.968315 (E_RNA)
where:
Base-Base interactions energy: -262.864
where: short stacking energy: -142.594
Base-Backbone interact. energy: -1.055
local terms energy: -175.049502
where:
bonds (distance) C4'-P energy: -38.583
bonds (distance) P-C4' energy: -38.970
flat angles C4'-P-C4' energy: -42.928
flat angles P-C4'-P energy: -21.087
tors. eta vs tors. theta energy: -33.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -221.481281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.481281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.481281 (E_RNA)
where:
Base-Base interactions energy: -89.706
where: short stacking energy: -73.215
Base-Backbone interact. energy: 5.405
local terms energy: -137.180782
where:
bonds (distance) C4'-P energy: -39.736
bonds (distance) P-C4' energy: -39.193
flat angles C4'-P-C4' energy: -34.872
flat angles P-C4'-P energy: -19.731
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -869.920401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.920401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.920401 (E_RNA)
where:
Base-Base interactions energy: -612.035
where: short stacking energy: -243.833
Base-Backbone interact. energy: -1.127
local terms energy: -256.758690
where:
bonds (distance) C4'-P energy: -50.874
bonds (distance) P-C4' energy: -45.933
flat angles C4'-P-C4' energy: -56.151
flat angles P-C4'-P energy: -41.810
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: 2, replica: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -831.498149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.498149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.498149 (E_RNA)
where:
Base-Base interactions energy: -578.602
where: short stacking energy: -258.300
Base-Backbone interact. energy: -1.032
local terms energy: -251.863437
where:
bonds (distance) C4'-P energy: -39.856
bonds (distance) P-C4' energy: -43.951
flat angles C4'-P-C4' energy: -55.053
flat angles P-C4'-P energy: -37.475
tors. eta vs tors. theta energy: -75.529
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: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -792.086603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.086603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.086603 (E_RNA)
where:
Base-Base interactions energy: -563.468
where: short stacking energy: -224.228
Base-Backbone interact. energy: -1.245
local terms energy: -227.373883
where:
bonds (distance) C4'-P energy: -37.959
bonds (distance) P-C4' energy: -49.417
flat angles C4'-P-C4' energy: -46.545
flat angles P-C4'-P energy: -35.912
tors. eta vs tors. theta energy: -57.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -785.521707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.521707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.521707 (E_RNA)
where:
Base-Base interactions energy: -543.356
where: short stacking energy: -237.517
Base-Backbone interact. energy: -0.890
local terms energy: -241.275419
where:
bonds (distance) C4'-P energy: -41.061
bonds (distance) P-C4' energy: -45.616
flat angles C4'-P-C4' energy: -51.955
flat angles P-C4'-P energy: -34.261
tors. eta vs tors. theta energy: -68.382
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: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -743.996387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.996387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.996387 (E_RNA)
where:
Base-Base interactions energy: -516.196
where: short stacking energy: -235.156
Base-Backbone interact. energy: -0.945
local terms energy: -226.854661
where:
bonds (distance) C4'-P energy: -41.434
bonds (distance) P-C4' energy: -44.657
flat angles C4'-P-C4' energy: -42.056
flat angles P-C4'-P energy: -32.498
tors. eta vs tors. theta energy: -66.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -743.927489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.927489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.927489 (E_RNA)
where:
Base-Base interactions energy: -505.277
where: short stacking energy: -218.228
Base-Backbone interact. energy: -2.834
local terms energy: -235.815864
where:
bonds (distance) C4'-P energy: -41.572
bonds (distance) P-C4' energy: -45.177
flat angles C4'-P-C4' energy: -48.237
flat angles P-C4'-P energy: -31.961
tors. eta vs tors. theta energy: -68.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -665.441026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.441026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.441026 (E_RNA)
where:
Base-Base interactions energy: -443.092
where: short stacking energy: -192.878
Base-Backbone interact. energy: -2.083
local terms energy: -220.266287
where:
bonds (distance) C4'-P energy: -47.852
bonds (distance) P-C4' energy: -47.600
flat angles C4'-P-C4' energy: -41.417
flat angles P-C4'-P energy: -29.865
tors. eta vs tors. theta energy: -53.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -646.473271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.473271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.473271 (E_RNA)
where:
Base-Base interactions energy: -433.245
where: short stacking energy: -189.491
Base-Backbone interact. energy: -0.497
local terms energy: -212.731089
where:
bonds (distance) C4'-P energy: -43.804
bonds (distance) P-C4' energy: -48.196
flat angles C4'-P-C4' energy: -52.450
flat angles P-C4'-P energy: -21.506
tors. eta vs tors. theta energy: -46.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -435.514190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.514190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.514190 (E_RNA)
where:
Base-Base interactions energy: -262.746
where: short stacking energy: -144.888
Base-Backbone interact. energy: -0.983
local terms energy: -171.785901
where:
bonds (distance) C4'-P energy: -36.969
bonds (distance) P-C4' energy: -34.766
flat angles C4'-P-C4' energy: -45.624
flat angles P-C4'-P energy: -24.727
tors. eta vs tors. theta energy: -29.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -220.852160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.852160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.852160 (E_RNA)
where:
Base-Base interactions energy: -99.720
where: short stacking energy: -85.371
Base-Backbone interact. energy: 0.026
local terms energy: -121.157421
where:
bonds (distance) C4'-P energy: -32.295
bonds (distance) P-C4' energy: -47.860
flat angles C4'-P-C4' energy: -26.061
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -1.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -881.922130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.922130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.922130 (E_RNA)
where:
Base-Base interactions energy: -619.806
where: short stacking energy: -247.934
Base-Backbone interact. energy: -2.347
local terms energy: -259.769113
where:
bonds (distance) C4'-P energy: -52.909
bonds (distance) P-C4' energy: -49.079
flat angles C4'-P-C4' energy: -61.551
flat angles P-C4'-P energy: -36.110
tors. eta vs tors. theta energy: -60.120
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: 2, replica: 1
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -831.407033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.407033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.407033 (E_RNA)
where:
Base-Base interactions energy: -572.740
where: short stacking energy: -254.975
Base-Backbone interact. energy: -0.104
local terms energy: -258.562594
where:
bonds (distance) C4'-P energy: -43.261
bonds (distance) P-C4' energy: -49.881
flat angles C4'-P-C4' energy: -50.145
flat angles P-C4'-P energy: -35.822
tors. eta vs tors. theta energy: -79.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -811.694780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.694780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.694780 (E_RNA)
where:
Base-Base interactions energy: -577.895
where: short stacking energy: -222.619
Base-Backbone interact. energy: -1.286
local terms energy: -232.513439
where:
bonds (distance) C4'-P energy: -48.903
bonds (distance) P-C4' energy: -39.450
flat angles C4'-P-C4' energy: -40.160
flat angles P-C4'-P energy: -41.860
tors. eta vs tors. theta energy: -62.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -793.738928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.738928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.738928 (E_RNA)
where:
Base-Base interactions energy: -538.288
where: short stacking energy: -221.996
Base-Backbone interact. energy: -0.591
local terms energy: -254.859506
where:
bonds (distance) C4'-P energy: -46.411
bonds (distance) P-C4' energy: -52.213
flat angles C4'-P-C4' energy: -54.296
flat angles P-C4'-P energy: -32.196
tors. eta vs tors. theta energy: -69.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -738.999569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.999569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.999569 (E_RNA)
where:
Base-Base interactions energy: -499.817
where: short stacking energy: -216.782
Base-Backbone interact. energy: -1.917
local terms energy: -237.265312
where:
bonds (distance) C4'-P energy: -42.067
bonds (distance) P-C4' energy: -43.309
flat angles C4'-P-C4' energy: -53.066
flat angles P-C4'-P energy: -34.727
tors. eta vs tors. theta energy: -64.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -754.433151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.433151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.433151 (E_RNA)
where:
Base-Base interactions energy: -523.301
where: short stacking energy: -232.433
Base-Backbone interact. energy: 0.341
local terms energy: -231.472741
where:
bonds (distance) C4'-P energy: -42.655
bonds (distance) P-C4' energy: -40.898
flat angles C4'-P-C4' energy: -49.232
flat angles P-C4'-P energy: -30.442
tors. eta vs tors. theta energy: -68.246
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: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -671.326108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.326108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.326108 (E_RNA)
where:
Base-Base interactions energy: -461.728
where: short stacking energy: -208.969
Base-Backbone interact. energy: -0.557
local terms energy: -209.040993
where:
bonds (distance) C4'-P energy: -28.867
bonds (distance) P-C4' energy: -48.327
flat angles C4'-P-C4' energy: -46.934
flat angles P-C4'-P energy: -32.378
tors. eta vs tors. theta energy: -52.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -621.190919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.190919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.190919 (E_RNA)
where:
Base-Base interactions energy: -426.040
where: short stacking energy: -191.008
Base-Backbone interact. energy: -0.995
local terms energy: -194.156297
where:
bonds (distance) C4'-P energy: -36.236
bonds (distance) P-C4' energy: -41.707
flat angles C4'-P-C4' energy: -46.702
flat angles P-C4'-P energy: -26.421
tors. eta vs tors. theta energy: -43.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -391.274937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.274937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.274937 (E_RNA)
where:
Base-Base interactions energy: -225.568
where: short stacking energy: -115.617
Base-Backbone interact. energy: -0.451
local terms energy: -165.256544
where:
bonds (distance) C4'-P energy: -38.997
bonds (distance) P-C4' energy: -47.379
flat angles C4'-P-C4' energy: -38.121
flat angles P-C4'-P energy: -24.831
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -224.480346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.480346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.480346 (E_RNA)
where:
Base-Base interactions energy: -99.945
where: short stacking energy: -73.947
Base-Backbone interact. energy: -1.098
local terms energy: -123.436845
where:
bonds (distance) C4'-P energy: -46.728
bonds (distance) P-C4' energy: -38.119
flat angles C4'-P-C4' energy: -30.466
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: 7.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -858.352444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.352444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.352444 (E_RNA)
where:
Base-Base interactions energy: -614.694
where: short stacking energy: -246.558
Base-Backbone interact. energy: -0.884
local terms energy: -242.774613
where:
bonds (distance) C4'-P energy: -47.018
bonds (distance) P-C4' energy: -41.337
flat angles C4'-P-C4' energy: -49.620
flat angles P-C4'-P energy: -44.121
tors. eta vs tors. theta energy: -60.678
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: 2, replica: 1
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -815.555117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.555117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.555117 (E_RNA)
where:
Base-Base interactions energy: -569.930
where: short stacking energy: -263.362
Base-Backbone interact. energy: -0.397
local terms energy: -245.228481
where:
bonds (distance) C4'-P energy: -47.077
bonds (distance) P-C4' energy: -37.408
flat angles C4'-P-C4' energy: -45.269
flat angles P-C4'-P energy: -36.211
tors. eta vs tors. theta energy: -79.264
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: 4
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -816.208678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.208678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.208678 (E_RNA)
where:
Base-Base interactions energy: -582.220
where: short stacking energy: -221.934
Base-Backbone interact. energy: -1.032
local terms energy: -232.956622
where:
bonds (distance) C4'-P energy: -52.352
bonds (distance) P-C4' energy: -37.877
flat angles C4'-P-C4' energy: -46.131
flat angles P-C4'-P energy: -35.942
tors. eta vs tors. theta energy: -60.655
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: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -783.213158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.213158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.213158 (E_RNA)
where:
Base-Base interactions energy: -547.979
where: short stacking energy: -240.509
Base-Backbone interact. energy: 0.306
local terms energy: -235.540168
where:
bonds (distance) C4'-P energy: -42.084
bonds (distance) P-C4' energy: -45.358
flat angles C4'-P-C4' energy: -53.865
flat angles P-C4'-P energy: -24.244
tors. eta vs tors. theta energy: -69.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -779.222451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.222451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.222451 (E_RNA)
where:
Base-Base interactions energy: -531.754
where: short stacking energy: -229.874
Base-Backbone interact. energy: -1.506
local terms energy: -245.962754
where:
bonds (distance) C4'-P energy: -45.684
bonds (distance) P-C4' energy: -45.217
flat angles C4'-P-C4' energy: -55.681
flat angles P-C4'-P energy: -28.758
tors. eta vs tors. theta energy: -70.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -700.592459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.592459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.592459 (E_RNA)
where:
Base-Base interactions energy: -465.142
where: short stacking energy: -193.338
Base-Backbone interact. energy: -1.321
local terms energy: -234.129390
where:
bonds (distance) C4'-P energy: -47.713
bonds (distance) P-C4' energy: -40.381
flat angles C4'-P-C4' energy: -50.955
flat angles P-C4'-P energy: -39.485
tors. eta vs tors. theta energy: -55.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -702.030243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.030243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.030243 (E_RNA)
where:
Base-Base interactions energy: -489.679
where: short stacking energy: -221.808
Base-Backbone interact. energy: 1.154
local terms energy: -213.505578
where:
bonds (distance) C4'-P energy: -44.670
bonds (distance) P-C4' energy: -43.389
flat angles C4'-P-C4' energy: -45.423
flat angles P-C4'-P energy: -22.004
tors. eta vs tors. theta energy: -58.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -603.876975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.876975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.876975 (E_RNA)
where:
Base-Base interactions energy: -398.002
where: short stacking energy: -178.638
Base-Backbone interact. energy: 0.634
local terms energy: -206.508897
where:
bonds (distance) C4'-P energy: -45.031
bonds (distance) P-C4' energy: -42.439
flat angles C4'-P-C4' energy: -44.210
flat angles P-C4'-P energy: -27.918
tors. eta vs tors. theta energy: -46.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -449.668438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.668438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.668438 (E_RNA)
where:
Base-Base interactions energy: -283.989
where: short stacking energy: -120.000
Base-Backbone interact. energy: -0.741
local terms energy: -164.937697
where:
bonds (distance) C4'-P energy: -38.755
bonds (distance) P-C4' energy: -45.206
flat angles C4'-P-C4' energy: -35.064
flat angles P-C4'-P energy: -24.000
tors. eta vs tors. theta energy: -21.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -218.445521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.445521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.445521 (E_RNA)
where:
Base-Base interactions energy: -67.689
where: short stacking energy: -65.498
Base-Backbone interact. energy: 2.159
local terms energy: -152.915243
where:
bonds (distance) C4'-P energy: -44.008
bonds (distance) P-C4' energy: -44.040
flat angles C4'-P-C4' energy: -33.773
flat angles P-C4'-P energy: -29.845
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -860.273140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.273140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.273140 (E_RNA)
where:
Base-Base interactions energy: -612.626
where: short stacking energy: -237.391
Base-Backbone interact. energy: 0.136
local terms energy: -247.782909
where:
bonds (distance) C4'-P energy: -47.346
bonds (distance) P-C4' energy: -49.904
flat angles C4'-P-C4' energy: -56.177
flat angles P-C4'-P energy: -38.006
tors. eta vs tors. theta energy: -56.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -793.649874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.649874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.649874 (E_RNA)
where:
Base-Base interactions energy: -567.514
where: short stacking energy: -223.123
Base-Backbone interact. energy: -0.914
local terms energy: -225.221767
where:
bonds (distance) C4'-P energy: -43.284
bonds (distance) P-C4' energy: -35.635
flat angles C4'-P-C4' energy: -52.762
flat angles P-C4'-P energy: -32.569
tors. eta vs tors. theta energy: -60.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -804.859160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.859160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.859160 (E_RNA)
where:
Base-Base interactions energy: -546.564
where: short stacking energy: -251.750
Base-Backbone interact. energy: -0.213
local terms energy: -258.082446
where:
bonds (distance) C4'-P energy: -41.279
bonds (distance) P-C4' energy: -47.433
flat angles C4'-P-C4' energy: -54.421
flat angles P-C4'-P energy: -38.191
tors. eta vs tors. theta energy: -76.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -799.525612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.525612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.525612 (E_RNA)
where:
Base-Base interactions energy: -549.460
where: short stacking energy: -239.937
Base-Backbone interact. energy: 0.767
local terms energy: -250.832022
where:
bonds (distance) C4'-P energy: -46.278
bonds (distance) P-C4' energy: -51.875
flat angles C4'-P-C4' energy: -52.336
flat angles P-C4'-P energy: -31.330
tors. eta vs tors. theta energy: -69.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -711.631557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.631557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.631557 (E_RNA)
where:
Base-Base interactions energy: -489.680
where: short stacking energy: -230.335
Base-Backbone interact. energy: -1.904
local terms energy: -220.048061
where:
bonds (distance) C4'-P energy: -38.739
bonds (distance) P-C4' energy: -41.843
flat angles C4'-P-C4' energy: -46.022
flat angles P-C4'-P energy: -30.850
tors. eta vs tors. theta energy: -62.595
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: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -678.256784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.256784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.256784 (E_RNA)
where:
Base-Base interactions energy: -456.973
where: short stacking energy: -199.298
Base-Backbone interact. energy: 1.070
local terms energy: -222.354121
where:
bonds (distance) C4'-P energy: -37.802
bonds (distance) P-C4' energy: -44.077
flat angles C4'-P-C4' energy: -53.288
flat angles P-C4'-P energy: -36.268
tors. eta vs tors. theta energy: -50.920
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: 5
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -694.975806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.975806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.975806 (E_RNA)
where:
Base-Base interactions energy: -476.034
where: short stacking energy: -170.881
Base-Backbone interact. energy: -0.648
local terms energy: -218.293942
where:
bonds (distance) C4'-P energy: -44.842
bonds (distance) P-C4' energy: -48.421
flat angles C4'-P-C4' energy: -46.652
flat angles P-C4'-P energy: -30.407
tors. eta vs tors. theta energy: -47.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -637.690324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.690324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.690324 (E_RNA)
where:
Base-Base interactions energy: -439.095
where: short stacking energy: -190.669
Base-Backbone interact. energy: -1.053
local terms energy: -197.542833
where:
bonds (distance) C4'-P energy: -36.591
bonds (distance) P-C4' energy: -43.595
flat angles C4'-P-C4' energy: -39.642
flat angles P-C4'-P energy: -32.960
tors. eta vs tors. theta energy: -44.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -409.155485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.155485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.155485 (E_RNA)
where:
Base-Base interactions energy: -253.626
where: short stacking energy: -123.765
Base-Backbone interact. energy: 0.635
local terms energy: -156.164788
where:
bonds (distance) C4'-P energy: -41.295
bonds (distance) P-C4' energy: -30.612
flat angles C4'-P-C4' energy: -48.293
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -225.930816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.930816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.930816 (E_RNA)
where:
Base-Base interactions energy: -77.663
where: short stacking energy: -65.534
Base-Backbone interact. energy: 1.992
local terms energy: -150.259705
where:
bonds (distance) C4'-P energy: -41.279
bonds (distance) P-C4' energy: -42.618
flat angles C4'-P-C4' energy: -39.352
flat angles P-C4'-P energy: -24.330
tors. eta vs tors. theta energy: -2.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -865.356583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.356583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.356583 (E_RNA)
where:
Base-Base interactions energy: -616.803
where: short stacking energy: -243.269
Base-Backbone interact. energy: -2.176
local terms energy: -246.377143
where:
bonds (distance) C4'-P energy: -52.541
bonds (distance) P-C4' energy: -50.201
flat angles C4'-P-C4' energy: -50.502
flat angles P-C4'-P energy: -34.380
tors. eta vs tors. theta energy: -58.752
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: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -837.776936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.776936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.776936 (E_RNA)
where:
Base-Base interactions energy: -604.281
where: short stacking energy: -233.770
Base-Backbone interact. energy: -1.707
local terms energy: -231.789190
where:
bonds (distance) C4'-P energy: -48.564
bonds (distance) P-C4' energy: -41.480
flat angles C4'-P-C4' energy: -51.089
flat angles P-C4'-P energy: -33.021
tors. eta vs tors. theta energy: -57.635
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: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -792.160068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.160068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.160068 (E_RNA)
where:
Base-Base interactions energy: -543.830
where: short stacking energy: -222.804
Base-Backbone interact. energy: -0.787
local terms energy: -247.542843
where:
bonds (distance) C4'-P energy: -47.082
bonds (distance) P-C4' energy: -43.152
flat angles C4'-P-C4' energy: -48.898
flat angles P-C4'-P energy: -38.050
tors. eta vs tors. theta energy: -70.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -793.014784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.014784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.014784 (E_RNA)
where:
Base-Base interactions energy: -538.194
where: short stacking energy: -240.098
Base-Backbone interact. energy: -0.289
local terms energy: -254.531308
where:
bonds (distance) C4'-P energy: -47.567
bonds (distance) P-C4' energy: -50.012
flat angles C4'-P-C4' energy: -52.862
flat angles P-C4'-P energy: -34.499
tors. eta vs tors. theta energy: -69.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -714.055992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.055992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.055992 (E_RNA)
where:
Base-Base interactions energy: -483.622
where: short stacking energy: -219.875
Base-Backbone interact. energy: -1.909
local terms energy: -228.524956
where:
bonds (distance) C4'-P energy: -36.322
bonds (distance) P-C4' energy: -33.396
flat angles C4'-P-C4' energy: -57.319
flat angles P-C4'-P energy: -36.662
tors. eta vs tors. theta energy: -64.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -700.920717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.920717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.920717 (E_RNA)
where:
Base-Base interactions energy: -485.093
where: short stacking energy: -213.866
Base-Backbone interact. energy: -0.009
local terms energy: -215.818526
where:
bonds (distance) C4'-P energy: -38.145
bonds (distance) P-C4' energy: -40.297
flat angles C4'-P-C4' energy: -41.905
flat angles P-C4'-P energy: -37.922
tors. eta vs tors. theta energy: -57.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -722.387689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.387689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.387689 (E_RNA)
where:
Base-Base interactions energy: -486.276
where: short stacking energy: -201.561
Base-Backbone interact. energy: -1.448
local terms energy: -234.663886
where:
bonds (distance) C4'-P energy: -45.502
bonds (distance) P-C4' energy: -50.053
flat angles C4'-P-C4' energy: -45.576
flat angles P-C4'-P energy: -36.130
tors. eta vs tors. theta energy: -57.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -593.685487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.685487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.685487 (E_RNA)
where:
Base-Base interactions energy: -403.505
where: short stacking energy: -166.719
Base-Backbone interact. energy: 2.460
local terms energy: -192.639575
where:
bonds (distance) C4'-P energy: -46.324
bonds (distance) P-C4' energy: -40.804
flat angles C4'-P-C4' energy: -32.287
flat angles P-C4'-P energy: -33.004
tors. eta vs tors. theta energy: -40.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -433.238325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.238325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.238325 (E_RNA)
where:
Base-Base interactions energy: -263.201
where: short stacking energy: -111.164
Base-Backbone interact. energy: -1.776
local terms energy: -168.261427
where:
bonds (distance) C4'-P energy: -33.969
bonds (distance) P-C4' energy: -49.960
flat angles C4'-P-C4' energy: -40.893
flat angles P-C4'-P energy: -23.595
tors. eta vs tors. theta energy: -19.845
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: 7
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -254.128010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.128010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.128010 (E_RNA)
where:
Base-Base interactions energy: -115.757
where: short stacking energy: -75.521
Base-Backbone interact. energy: -1.203
local terms energy: -137.168160
where:
bonds (distance) C4'-P energy: -42.947
bonds (distance) P-C4' energy: -34.373
flat angles C4'-P-C4' energy: -27.773
flat angles P-C4'-P energy: -26.878
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -871.229387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.229387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.229387 (E_RNA)
where:
Base-Base interactions energy: -619.699
where: short stacking energy: -261.835
Base-Backbone interact. energy: -1.526
local terms energy: -250.003866
where:
bonds (distance) C4'-P energy: -45.236
bonds (distance) P-C4' energy: -51.340
flat angles C4'-P-C4' energy: -54.328
flat angles P-C4'-P energy: -36.488
tors. eta vs tors. theta energy: -62.612
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: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -857.183228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.183228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.183228 (E_RNA)
where:
Base-Base interactions energy: -614.542
where: short stacking energy: -235.138
Base-Backbone interact. energy: -2.054
local terms energy: -240.586993
where:
bonds (distance) C4'-P energy: -40.693
bonds (distance) P-C4' energy: -47.083
flat angles C4'-P-C4' energy: -55.877
flat angles P-C4'-P energy: -34.235
tors. eta vs tors. theta energy: -62.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -807.058777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.058777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.058777 (E_RNA)
where:
Base-Base interactions energy: -551.741
where: short stacking energy: -251.386
Base-Backbone interact. energy: -1.419
local terms energy: -253.899188
where:
bonds (distance) C4'-P energy: -48.318
bonds (distance) P-C4' energy: -48.439
flat angles C4'-P-C4' energy: -51.172
flat angles P-C4'-P energy: -33.498
tors. eta vs tors. theta energy: -72.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -770.121288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.121288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.121288 (E_RNA)
where:
Base-Base interactions energy: -520.301
where: short stacking energy: -230.909
Base-Backbone interact. energy: 0.501
local terms energy: -250.321331
where:
bonds (distance) C4'-P energy: -51.584
bonds (distance) P-C4' energy: -49.285
flat angles C4'-P-C4' energy: -48.320
flat angles P-C4'-P energy: -36.093
tors. eta vs tors. theta energy: -65.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -698.218307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.218307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.218307 (E_RNA)
where:
Base-Base interactions energy: -478.352
where: short stacking energy: -212.791
Base-Backbone interact. energy: 0.932
local terms energy: -220.798208
where:
bonds (distance) C4'-P energy: -35.422
bonds (distance) P-C4' energy: -37.540
flat angles C4'-P-C4' energy: -47.208
flat angles P-C4'-P energy: -43.893
tors. eta vs tors. theta energy: -56.736
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: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -668.691714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.691714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.691714 (E_RNA)
where:
Base-Base interactions energy: -471.755
where: short stacking energy: -187.795
Base-Backbone interact. energy: -1.153
local terms energy: -195.783612
where:
bonds (distance) C4'-P energy: -42.119
bonds (distance) P-C4' energy: -35.080
flat angles C4'-P-C4' energy: -48.850
flat angles P-C4'-P energy: -25.301
tors. eta vs tors. theta energy: -44.433
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: 5
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -699.410559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.410559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.410559 (E_RNA)
where:
Base-Base interactions energy: -484.460
where: short stacking energy: -199.066
Base-Backbone interact. energy: -0.363
local terms energy: -214.588037
where:
bonds (distance) C4'-P energy: -37.134
bonds (distance) P-C4' energy: -34.029
flat angles C4'-P-C4' energy: -52.375
flat angles P-C4'-P energy: -35.467
tors. eta vs tors. theta energy: -55.583
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: 9
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -596.487384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.487384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.487384 (E_RNA)
where:
Base-Base interactions energy: -411.139
where: short stacking energy: -175.757
Base-Backbone interact. energy: -0.219
local terms energy: -185.128831
where:
bonds (distance) C4'-P energy: -34.209
bonds (distance) P-C4' energy: -42.869
flat angles C4'-P-C4' energy: -43.696
flat angles P-C4'-P energy: -21.315
tors. eta vs tors. theta energy: -43.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -464.483169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.483169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.483169 (E_RNA)
where:
Base-Base interactions energy: -287.010
where: short stacking energy: -136.039
Base-Backbone interact. energy: -0.435
local terms energy: -177.038096
where:
bonds (distance) C4'-P energy: -47.163
bonds (distance) P-C4' energy: -32.092
flat angles C4'-P-C4' energy: -41.814
flat angles P-C4'-P energy: -28.643
tors. eta vs tors. theta energy: -27.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -277.827136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.827136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.827136 (E_RNA)
where:
Base-Base interactions energy: -129.682
where: short stacking energy: -73.781
Base-Backbone interact. energy: -0.563
local terms energy: -147.581642
where:
bonds (distance) C4'-P energy: -36.354
bonds (distance) P-C4' energy: -39.319
flat angles C4'-P-C4' energy: -47.396
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -9.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -890.262093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.262093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.262093 (E_RNA)
where:
Base-Base interactions energy: -622.026
where: short stacking energy: -246.937
Base-Backbone interact. energy: -1.132
local terms energy: -267.104756
where:
bonds (distance) C4'-P energy: -49.924
bonds (distance) P-C4' energy: -51.909
flat angles C4'-P-C4' energy: -60.850
flat angles P-C4'-P energy: -42.014
tors. eta vs tors. theta energy: -62.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -833.907584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.907584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.907584 (E_RNA)
where:
Base-Base interactions energy: -586.128
where: short stacking energy: -230.704
Base-Backbone interact. energy: -0.989
local terms energy: -246.790539
where:
bonds (distance) C4'-P energy: -46.456
bonds (distance) P-C4' energy: -52.346
flat angles C4'-P-C4' energy: -49.631
flat angles P-C4'-P energy: -37.948
tors. eta vs tors. theta energy: -60.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -801.616115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.616115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.616115 (E_RNA)
where:
Base-Base interactions energy: -549.416
where: short stacking energy: -249.485
Base-Backbone interact. energy: -1.265
local terms energy: -250.935055
where:
bonds (distance) C4'-P energy: -39.626
bonds (distance) P-C4' energy: -53.678
flat angles C4'-P-C4' energy: -52.626
flat angles P-C4'-P energy: -34.746
tors. eta vs tors. theta energy: -70.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -781.392177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.392177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.392177 (E_RNA)
where:
Base-Base interactions energy: -541.133
where: short stacking energy: -243.261
Base-Backbone interact. energy: -1.669
local terms energy: -238.590308
where:
bonds (distance) C4'-P energy: -38.535
bonds (distance) P-C4' energy: -39.950
flat angles C4'-P-C4' energy: -53.042
flat angles P-C4'-P energy: -32.412
tors. eta vs tors. theta energy: -74.652
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: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -709.564437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.564437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.564437 (E_RNA)
where:
Base-Base interactions energy: -492.272
where: short stacking energy: -216.065
Base-Backbone interact. energy: -0.564
local terms energy: -216.728569
where:
bonds (distance) C4'-P energy: -39.058
bonds (distance) P-C4' energy: -51.271
flat angles C4'-P-C4' energy: -51.231
flat angles P-C4'-P energy: -22.185
tors. eta vs tors. theta energy: -52.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -653.471163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.471163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.471163 (E_RNA)
where:
Base-Base interactions energy: -445.421
where: short stacking energy: -194.298
Base-Backbone interact. energy: -1.523
local terms energy: -206.527201
where:
bonds (distance) C4'-P energy: -33.253
bonds (distance) P-C4' energy: -35.661
flat angles C4'-P-C4' energy: -56.815
flat angles P-C4'-P energy: -31.938
tors. eta vs tors. theta energy: -48.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -685.457949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.457949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.457949 (E_RNA)
where:
Base-Base interactions energy: -465.699
where: short stacking energy: -213.396
Base-Backbone interact. energy: 2.303
local terms energy: -222.061232
where:
bonds (distance) C4'-P energy: -39.389
bonds (distance) P-C4' energy: -40.387
flat angles C4'-P-C4' energy: -53.230
flat angles P-C4'-P energy: -30.691
tors. eta vs tors. theta energy: -58.363
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: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -598.476782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.476782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.476782 (E_RNA)
where:
Base-Base interactions energy: -417.702
where: short stacking energy: -175.599
Base-Backbone interact. energy: -1.783
local terms energy: -178.991793
where:
bonds (distance) C4'-P energy: -34.319
bonds (distance) P-C4' energy: -48.515
flat angles C4'-P-C4' energy: -38.575
flat angles P-C4'-P energy: -19.283
tors. eta vs tors. theta energy: -38.299
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: 8
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -421.754575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.754575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.754575 (E_RNA)
where:
Base-Base interactions energy: -257.974
where: short stacking energy: -110.104
Base-Backbone interact. energy: -2.214
local terms energy: -161.566799
where:
bonds (distance) C4'-P energy: -38.045
bonds (distance) P-C4' energy: -40.955
flat angles C4'-P-C4' energy: -43.155
flat angles P-C4'-P energy: -21.302
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -210.947132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.947132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.947132 (E_RNA)
where:
Base-Base interactions energy: -96.433
where: short stacking energy: -58.328
Base-Backbone interact. energy: 0.254
local terms energy: -114.768479
where:
bonds (distance) C4'-P energy: -35.532
bonds (distance) P-C4' energy: -34.319
flat angles C4'-P-C4' energy: -35.449
flat angles P-C4'-P energy: -18.158
tors. eta vs tors. theta energy: 8.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -877.709709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.709709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.709709 (E_RNA)
where:
Base-Base interactions energy: -636.274
where: short stacking energy: -234.999
Base-Backbone interact. energy: 1.338
local terms energy: -242.774148
where:
bonds (distance) C4'-P energy: -44.141
bonds (distance) P-C4' energy: -50.473
flat angles C4'-P-C4' energy: -45.693
flat angles P-C4'-P energy: -38.597
tors. eta vs tors. theta energy: -63.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -852.813471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.813471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.813471 (E_RNA)
where:
Base-Base interactions energy: -602.419
where: short stacking energy: -247.207
Base-Backbone interact. energy: -2.204
local terms energy: -248.191139
where:
bonds (distance) C4'-P energy: -49.016
bonds (distance) P-C4' energy: -53.380
flat angles C4'-P-C4' energy: -49.129
flat angles P-C4'-P energy: -36.558
tors. eta vs tors. theta energy: -60.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -795.492704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.492704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.492704 (E_RNA)
where:
Base-Base interactions energy: -535.864
where: short stacking energy: -228.845
Base-Backbone interact. energy: -0.388
local terms energy: -259.240837
where:
bonds (distance) C4'-P energy: -49.058
bonds (distance) P-C4' energy: -54.316
flat angles C4'-P-C4' energy: -55.985
flat angles P-C4'-P energy: -35.651
tors. eta vs tors. theta energy: -64.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -778.494260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.494260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.494260 (E_RNA)
where:
Base-Base interactions energy: -537.133
where: short stacking energy: -242.209
Base-Backbone interact. energy: -0.280
local terms energy: -241.081359
where:
bonds (distance) C4'-P energy: -45.570
bonds (distance) P-C4' energy: -39.459
flat angles C4'-P-C4' energy: -55.508
flat angles P-C4'-P energy: -33.038
tors. eta vs tors. theta energy: -67.507
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: 489
Temperature: 1.100000
Total energy: -714.940649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.940649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.940649 (E_RNA)
where:
Base-Base interactions energy: -494.609
where: short stacking energy: -207.209
Base-Backbone interact. energy: -2.374
local terms energy: -217.958014
where:
bonds (distance) C4'-P energy: -44.769
bonds (distance) P-C4' energy: -38.071
flat angles C4'-P-C4' energy: -44.828
flat angles P-C4'-P energy: -31.139
tors. eta vs tors. theta energy: -59.151
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: 5
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -710.826671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.826671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.826671 (E_RNA)
where:
Base-Base interactions energy: -514.178
where: short stacking energy: -206.788
Base-Backbone interact. energy: -1.300
local terms energy: -195.348675
where:
bonds (distance) C4'-P energy: -44.974
bonds (distance) P-C4' energy: -36.457
flat angles C4'-P-C4' energy: -37.714
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -51.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -638.568769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.568769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.568769 (E_RNA)
where:
Base-Base interactions energy: -417.740
where: short stacking energy: -193.059
Base-Backbone interact. energy: 0.135
local terms energy: -220.963806
where:
bonds (distance) C4'-P energy: -47.165
bonds (distance) P-C4' energy: -47.254
flat angles C4'-P-C4' energy: -42.615
flat angles P-C4'-P energy: -28.648
tors. eta vs tors. theta energy: -55.282
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: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -613.312694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.312694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.312694 (E_RNA)
where:
Base-Base interactions energy: -418.267
where: short stacking energy: -185.975
Base-Backbone interact. energy: -0.672
local terms energy: -194.373372
where:
bonds (distance) C4'-P energy: -51.164
bonds (distance) P-C4' energy: -33.343
flat angles C4'-P-C4' energy: -45.497
flat angles P-C4'-P energy: -25.581
tors. eta vs tors. theta energy: -38.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -378.435881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.435881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.435881 (E_RNA)
where:
Base-Base interactions energy: -225.914
where: short stacking energy: -123.833
Base-Backbone interact. energy: -0.096
local terms energy: -152.426387
where:
bonds (distance) C4'-P energy: -39.918
bonds (distance) P-C4' energy: -44.322
flat angles C4'-P-C4' energy: -31.529
flat angles P-C4'-P energy: -29.952
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -224.031667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.031667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.031667 (E_RNA)
where:
Base-Base interactions energy: -97.860
where: short stacking energy: -76.544
Base-Backbone interact. energy: 3.248
local terms energy: -129.420572
where:
bonds (distance) C4'-P energy: -35.534
bonds (distance) P-C4' energy: -43.828
flat angles C4'-P-C4' energy: -32.263
flat angles P-C4'-P energy: -23.529
tors. eta vs tors. theta energy: 5.734
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: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -893.897437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.897437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.897437 (E_RNA)
where:
Base-Base interactions energy: -648.842
where: short stacking energy: -251.540
Base-Backbone interact. energy: 0.255
local terms energy: -245.310515
where:
bonds (distance) C4'-P energy: -50.667
bonds (distance) P-C4' energy: -44.146
flat angles C4'-P-C4' energy: -50.640
flat angles P-C4'-P energy: -37.385
tors. eta vs tors. theta energy: -62.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -834.117464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.117464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.117464 (E_RNA)
where:
Base-Base interactions energy: -591.253
where: short stacking energy: -237.609
Base-Backbone interact. energy: -1.748
local terms energy: -241.116669
where:
bonds (distance) C4'-P energy: -39.207
bonds (distance) P-C4' energy: -50.243
flat angles C4'-P-C4' energy: -58.275
flat angles P-C4'-P energy: -34.527
tors. eta vs tors. theta energy: -58.865
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: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -797.527582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.527582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.527582 (E_RNA)
where:
Base-Base interactions energy: -546.976
where: short stacking energy: -254.364
Base-Backbone interact. energy: -0.461
local terms energy: -250.091191
where:
bonds (distance) C4'-P energy: -42.133
bonds (distance) P-C4' energy: -49.480
flat angles C4'-P-C4' energy: -53.328
flat angles P-C4'-P energy: -36.827
tors. eta vs tors. theta energy: -68.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -771.703684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.703684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.703684 (E_RNA)
where:
Base-Base interactions energy: -533.829
where: short stacking energy: -244.490
Base-Backbone interact. energy: -1.030
local terms energy: -236.844500
where:
bonds (distance) C4'-P energy: -48.577
bonds (distance) P-C4' energy: -41.184
flat angles C4'-P-C4' energy: -47.581
flat angles P-C4'-P energy: -35.821
tors. eta vs tors. theta energy: -63.682
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: 5, replica: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -744.395542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.395542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.395542 (E_RNA)
where:
Base-Base interactions energy: -509.776
where: short stacking energy: -208.724
Base-Backbone interact. energy: -0.811
local terms energy: -233.808543
where:
bonds (distance) C4'-P energy: -44.432
bonds (distance) P-C4' energy: -39.917
flat angles C4'-P-C4' energy: -48.217
flat angles P-C4'-P energy: -35.877
tors. eta vs tors. theta energy: -65.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -697.168656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.168656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.168656 (E_RNA)
where:
Base-Base interactions energy: -480.711
where: short stacking energy: -193.662
Base-Backbone interact. energy: -1.383
local terms energy: -215.074319
where:
bonds (distance) C4'-P energy: -43.119
bonds (distance) P-C4' energy: -44.492
flat angles C4'-P-C4' energy: -46.771
flat angles P-C4'-P energy: -30.194
tors. eta vs tors. theta energy: -50.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -604.238563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.238563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.238563 (E_RNA)
where:
Base-Base interactions energy: -425.813
where: short stacking energy: -198.226
Base-Backbone interact. energy: 0.022
local terms energy: -178.447613
where:
bonds (distance) C4'-P energy: -40.645
bonds (distance) P-C4' energy: -35.838
flat angles C4'-P-C4' energy: -40.838
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: -46.647
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: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -567.297226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.297226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.297226 (E_RNA)
where:
Base-Base interactions energy: -359.056
where: short stacking energy: -165.204
Base-Backbone interact. energy: -2.002
local terms energy: -206.239202
where:
bonds (distance) C4'-P energy: -27.689
bonds (distance) P-C4' energy: -45.509
flat angles C4'-P-C4' energy: -50.738
flat angles P-C4'-P energy: -34.021
tors. eta vs tors. theta energy: -48.282
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: 8
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -369.339004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.339004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.339004 (E_RNA)
where:
Base-Base interactions energy: -208.582
where: short stacking energy: -105.554
Base-Backbone interact. energy: 2.873
local terms energy: -163.630014
where:
bonds (distance) C4'-P energy: -43.852
bonds (distance) P-C4' energy: -38.019
flat angles C4'-P-C4' energy: -38.155
flat angles P-C4'-P energy: -27.787
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -218.592039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.592039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.592039 (E_RNA)
where:
Base-Base interactions energy: -87.140
where: short stacking energy: -81.167
Base-Backbone interact. energy: -0.117
local terms energy: -131.334192
where:
bonds (distance) C4'-P energy: -32.587
bonds (distance) P-C4' energy: -40.282
flat angles C4'-P-C4' energy: -34.392
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -6.428
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: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -891.758030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.758030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.758030 (E_RNA)
where:
Base-Base interactions energy: -619.379
where: short stacking energy: -246.772
Base-Backbone interact. energy: -2.595
local terms energy: -269.783632
where:
bonds (distance) C4'-P energy: -53.094
bonds (distance) P-C4' energy: -54.076
flat angles C4'-P-C4' energy: -53.624
flat angles P-C4'-P energy: -41.387
tors. eta vs tors. theta energy: -67.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -829.914093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.914093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.914093 (E_RNA)
where:
Base-Base interactions energy: -558.299
where: short stacking energy: -254.290
Base-Backbone interact. energy: -0.656
local terms energy: -270.959792
where:
bonds (distance) C4'-P energy: -45.578
bonds (distance) P-C4' energy: -53.557
flat angles C4'-P-C4' energy: -53.931
flat angles P-C4'-P energy: -41.527
tors. eta vs tors. theta energy: -76.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -829.644879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.644879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.644879 (E_RNA)
where:
Base-Base interactions energy: -587.124
where: short stacking energy: -243.152
Base-Backbone interact. energy: -1.718
local terms energy: -240.802377
where:
bonds (distance) C4'-P energy: -44.956
bonds (distance) P-C4' energy: -43.283
flat angles C4'-P-C4' energy: -50.591
flat angles P-C4'-P energy: -36.143
tors. eta vs tors. theta energy: -65.830
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: 1
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -790.828281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.828281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.828281 (E_RNA)
where:
Base-Base interactions energy: -554.260
where: short stacking energy: -246.719
Base-Backbone interact. energy: -1.854
local terms energy: -234.715047
where:
bonds (distance) C4'-P energy: -38.583
bonds (distance) P-C4' energy: -49.822
flat angles C4'-P-C4' energy: -53.173
flat angles P-C4'-P energy: -28.179
tors. eta vs tors. theta energy: -64.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -751.433044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.433044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.433044 (E_RNA)
where:
Base-Base interactions energy: -529.605
where: short stacking energy: -209.983
Base-Backbone interact. energy: -1.706
local terms energy: -220.122292
where:
bonds (distance) C4'-P energy: -44.577
bonds (distance) P-C4' energy: -39.905
flat angles C4'-P-C4' energy: -49.221
flat angles P-C4'-P energy: -31.365
tors. eta vs tors. theta energy: -55.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -696.489410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.489410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.489410 (E_RNA)
where:
Base-Base interactions energy: -477.288
where: short stacking energy: -198.259
Base-Backbone interact. energy: -2.258
local terms energy: -216.944106
where:
bonds (distance) C4'-P energy: -45.225
bonds (distance) P-C4' energy: -47.269
flat angles C4'-P-C4' energy: -36.545
flat angles P-C4'-P energy: -31.673
tors. eta vs tors. theta energy: -56.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -609.706133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.706133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.706133 (E_RNA)
where:
Base-Base interactions energy: -421.227
where: short stacking energy: -184.673
Base-Backbone interact. energy: -1.706
local terms energy: -186.773687
where:
bonds (distance) C4'-P energy: -49.164
bonds (distance) P-C4' energy: -35.262
flat angles C4'-P-C4' energy: -43.121
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -42.934
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: 6
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -572.289375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.289375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.289375 (E_RNA)
where:
Base-Base interactions energy: -366.831
where: short stacking energy: -178.704
Base-Backbone interact. energy: -2.479
local terms energy: -202.979563
where:
bonds (distance) C4'-P energy: -40.840
bonds (distance) P-C4' energy: -36.912
flat angles C4'-P-C4' energy: -48.924
flat angles P-C4'-P energy: -28.661
tors. eta vs tors. theta energy: -47.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -374.834323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.834323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.834323 (E_RNA)
where:
Base-Base interactions energy: -217.538
where: short stacking energy: -116.466
Base-Backbone interact. energy: -0.242
local terms energy: -157.053986
where:
bonds (distance) C4'-P energy: -35.246
bonds (distance) P-C4' energy: -44.021
flat angles C4'-P-C4' energy: -37.571
flat angles P-C4'-P energy: -28.174
tors. eta vs tors. theta energy: -12.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -218.429908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.429908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.429908 (E_RNA)
where:
Base-Base interactions energy: -96.201
where: short stacking energy: -72.017
Base-Backbone interact. energy: 1.717
local terms energy: -123.946254
where:
bonds (distance) C4'-P energy: -41.716
bonds (distance) P-C4' energy: -36.576
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -8.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -882.564060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.564060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.564060 (E_RNA)
where:
Base-Base interactions energy: -638.743
where: short stacking energy: -248.405
Base-Backbone interact. energy: -0.385
local terms energy: -243.436080
where:
bonds (distance) C4'-P energy: -38.192
bonds (distance) P-C4' energy: -46.469
flat angles C4'-P-C4' energy: -57.070
flat angles P-C4'-P energy: -37.895
tors. eta vs tors. theta energy: -63.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -833.028194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.028194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.028194 (E_RNA)
where:
Base-Base interactions energy: -562.476
where: short stacking energy: -256.720
Base-Backbone interact. energy: -0.563
local terms energy: -269.988270
where:
bonds (distance) C4'-P energy: -43.771
bonds (distance) P-C4' energy: -51.689
flat angles C4'-P-C4' energy: -54.242
flat angles P-C4'-P energy: -40.389
tors. eta vs tors. theta energy: -79.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -831.994724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.994724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.994724 (E_RNA)
where:
Base-Base interactions energy: -580.118
where: short stacking energy: -235.358
Base-Backbone interact. energy: -1.782
local terms energy: -250.094136
where:
bonds (distance) C4'-P energy: -48.440
bonds (distance) P-C4' energy: -50.415
flat angles C4'-P-C4' energy: -59.215
flat angles P-C4'-P energy: -29.922
tors. eta vs tors. theta energy: -62.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -798.758313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.758313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.758313 (E_RNA)
where:
Base-Base interactions energy: -554.345
where: short stacking energy: -241.228
Base-Backbone interact. energy: -1.005
local terms energy: -243.408872
where:
bonds (distance) C4'-P energy: -48.484
bonds (distance) P-C4' energy: -43.346
flat angles C4'-P-C4' energy: -49.758
flat angles P-C4'-P energy: -31.502
tors. eta vs tors. theta energy: -70.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -756.234928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.234928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.234928 (E_RNA)
where:
Base-Base interactions energy: -526.590
where: short stacking energy: -207.879
Base-Backbone interact. energy: -0.317
local terms energy: -229.328379
where:
bonds (distance) C4'-P energy: -42.854
bonds (distance) P-C4' energy: -47.394
flat angles C4'-P-C4' energy: -50.351
flat angles P-C4'-P energy: -33.734
tors. eta vs tors. theta energy: -54.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -704.222756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.222756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.222756 (E_RNA)
where:
Base-Base interactions energy: -471.327
where: short stacking energy: -195.449
Base-Backbone interact. energy: -0.813
local terms energy: -232.082538
where:
bonds (distance) C4'-P energy: -49.196
bonds (distance) P-C4' energy: -51.993
flat angles C4'-P-C4' energy: -44.799
flat angles P-C4'-P energy: -28.947
tors. eta vs tors. theta energy: -57.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -605.464061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.464061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.464061 (E_RNA)
where:
Base-Base interactions energy: -401.482
where: short stacking energy: -176.424
Base-Backbone interact. energy: -1.556
local terms energy: -202.425804
where:
bonds (distance) C4'-P energy: -40.369
bonds (distance) P-C4' energy: -44.216
flat angles C4'-P-C4' energy: -51.420
flat angles P-C4'-P energy: -26.679
tors. eta vs tors. theta energy: -39.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -560.966634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.966634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.966634 (E_RNA)
where:
Base-Base interactions energy: -363.776
where: short stacking energy: -175.301
Base-Backbone interact. energy: -0.195
local terms energy: -196.995228
where:
bonds (distance) C4'-P energy: -40.995
bonds (distance) P-C4' energy: -42.054
flat angles C4'-P-C4' energy: -39.541
flat angles P-C4'-P energy: -31.846
tors. eta vs tors. theta energy: -42.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -341.253358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.253358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.253358 (E_RNA)
where:
Base-Base interactions energy: -206.327
where: short stacking energy: -113.844
Base-Backbone interact. energy: -2.041
local terms energy: -132.885141
where:
bonds (distance) C4'-P energy: -48.285
bonds (distance) P-C4' energy: -27.232
flat angles C4'-P-C4' energy: -33.924
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -7.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -202.753826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.753826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.753826 (E_RNA)
where:
Base-Base interactions energy: -71.885
where: short stacking energy: -60.734
Base-Backbone interact. energy: -1.855
local terms energy: -129.013245
where:
bonds (distance) C4'-P energy: -26.318
bonds (distance) P-C4' energy: -39.621
flat angles C4'-P-C4' energy: -39.670
flat angles P-C4'-P energy: -26.229
tors. eta vs tors. theta energy: 2.825
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: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -888.766203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.766203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.766203 (E_RNA)
where:
Base-Base interactions energy: -646.140
where: short stacking energy: -240.848
Base-Backbone interact. energy: -1.248
local terms energy: -241.379030
where:
bonds (distance) C4'-P energy: -42.577
bonds (distance) P-C4' energy: -43.633
flat angles C4'-P-C4' energy: -53.359
flat angles P-C4'-P energy: -33.270
tors. eta vs tors. theta energy: -68.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -848.248723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.248723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.248723 (E_RNA)
where:
Base-Base interactions energy: -594.665
where: short stacking energy: -249.275
Base-Backbone interact. energy: -1.478
local terms energy: -252.105662
where:
bonds (distance) C4'-P energy: -51.990
bonds (distance) P-C4' energy: -44.873
flat angles C4'-P-C4' energy: -58.113
flat angles P-C4'-P energy: -36.508
tors. eta vs tors. theta energy: -60.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -804.144815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.144815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.144815 (E_RNA)
where:
Base-Base interactions energy: -549.608
where: short stacking energy: -252.696
Base-Backbone interact. energy: -0.552
local terms energy: -253.984600
where:
bonds (distance) C4'-P energy: -48.717
bonds (distance) P-C4' energy: -49.721
flat angles C4'-P-C4' energy: -51.689
flat angles P-C4'-P energy: -32.553
tors. eta vs tors. theta energy: -71.305
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: 4, replica: 5
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -798.944067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.944067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.944067 (E_RNA)
where:
Base-Base interactions energy: -561.472
where: short stacking energy: -211.603
Base-Backbone interact. energy: 0.840
local terms energy: -238.312347
where:
bonds (distance) C4'-P energy: -45.984
bonds (distance) P-C4' energy: -47.730
flat angles C4'-P-C4' energy: -50.506
flat angles P-C4'-P energy: -31.076
tors. eta vs tors. theta energy: -63.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -787.285911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.285911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.285911 (E_RNA)
where:
Base-Base interactions energy: -543.862
where: short stacking energy: -237.946
Base-Backbone interact. energy: -0.563
local terms energy: -242.860435
where:
bonds (distance) C4'-P energy: -45.763
bonds (distance) P-C4' energy: -45.767
flat angles C4'-P-C4' energy: -52.025
flat angles P-C4'-P energy: -36.572
tors. eta vs tors. theta energy: -62.733
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: 6, replica: 9
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -667.310069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.310069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.310069 (E_RNA)
where:
Base-Base interactions energy: -443.481
where: short stacking energy: -215.810
Base-Backbone interact. energy: 3.357
local terms energy: -227.186488
where:
bonds (distance) C4'-P energy: -35.098
bonds (distance) P-C4' energy: -51.333
flat angles C4'-P-C4' energy: -47.118
flat angles P-C4'-P energy: -36.008
tors. eta vs tors. theta energy: -57.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -679.071540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.071540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.071540 (E_RNA)
where:
Base-Base interactions energy: -464.290
where: short stacking energy: -194.992
Base-Backbone interact. energy: -1.814
local terms energy: -212.966766
where:
bonds (distance) C4'-P energy: -32.939
bonds (distance) P-C4' energy: -47.132
flat angles C4'-P-C4' energy: -43.153
flat angles P-C4'-P energy: -35.674
tors. eta vs tors. theta energy: -54.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -544.786274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.786274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.786274 (E_RNA)
where:
Base-Base interactions energy: -345.595
where: short stacking energy: -159.655
Base-Backbone interact. energy: -2.022
local terms energy: -197.170018
where:
bonds (distance) C4'-P energy: -44.124
bonds (distance) P-C4' energy: -48.448
flat angles C4'-P-C4' energy: -39.561
flat angles P-C4'-P energy: -27.309
tors. eta vs tors. theta energy: -37.728
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: 8
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -349.616322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.616322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.616322 (E_RNA)
where:
Base-Base interactions energy: -192.106
where: short stacking energy: -92.805
Base-Backbone interact. energy: 1.981
local terms energy: -159.490364
where:
bonds (distance) C4'-P energy: -38.965
bonds (distance) P-C4' energy: -44.614
flat angles C4'-P-C4' energy: -35.468
flat angles P-C4'-P energy: -28.172
tors. eta vs tors. theta energy: -12.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -202.672283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.672283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.672283 (E_RNA)
where:
Base-Base interactions energy: -70.265
where: short stacking energy: -63.075
Base-Backbone interact. energy: -1.400
local terms energy: -131.006561
where:
bonds (distance) C4'-P energy: -46.423
bonds (distance) P-C4' energy: -34.496
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -29.316
tors. eta vs tors. theta energy: -1.486
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: 4
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -893.579116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.579116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.579116 (E_RNA)
where:
Base-Base interactions energy: -645.463
where: short stacking energy: -246.066
Base-Backbone interact. energy: -0.248
local terms energy: -247.868541
where:
bonds (distance) C4'-P energy: -47.677
bonds (distance) P-C4' energy: -41.566
flat angles C4'-P-C4' energy: -54.814
flat angles P-C4'-P energy: -39.408
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: 2, replica: 10
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -859.340672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.340672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.340672 (E_RNA)
where:
Base-Base interactions energy: -607.340
where: short stacking energy: -242.318
Base-Backbone interact. energy: -0.475
local terms energy: -251.525526
where:
bonds (distance) C4'-P energy: -47.435
bonds (distance) P-C4' energy: -47.522
flat angles C4'-P-C4' energy: -49.629
flat angles P-C4'-P energy: -41.518
tors. eta vs tors. theta energy: -65.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -767.318802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.318802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.318802 (E_RNA)
where:
Base-Base interactions energy: -534.394
where: short stacking energy: -219.108
Base-Backbone interact. energy: -2.850
local terms energy: -230.074842
where:
bonds (distance) C4'-P energy: -42.338
bonds (distance) P-C4' energy: -45.898
flat angles C4'-P-C4' energy: -48.441
flat angles P-C4'-P energy: -33.652
tors. eta vs tors. theta energy: -59.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -807.031239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.031239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.031239 (E_RNA)
where:
Base-Base interactions energy: -554.446
where: short stacking energy: -247.560
Base-Backbone interact. energy: -0.820
local terms energy: -251.764949
where:
bonds (distance) C4'-P energy: -41.442
bonds (distance) P-C4' energy: -44.137
flat angles C4'-P-C4' energy: -55.262
flat angles P-C4'-P energy: -34.616
tors. eta vs tors. theta energy: -76.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -787.547460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.547460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.547460 (E_RNA)
where:
Base-Base interactions energy: -545.253
where: short stacking energy: -239.609
Base-Backbone interact. energy: -0.344
local terms energy: -241.950735
where:
bonds (distance) C4'-P energy: -40.282
bonds (distance) P-C4' energy: -50.320
flat angles C4'-P-C4' energy: -48.123
flat angles P-C4'-P energy: -34.429
tors. eta vs tors. theta energy: -68.797
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: 9
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -685.303013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.303013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.303013 (E_RNA)
where:
Base-Base interactions energy: -458.645
where: short stacking energy: -207.578
Base-Backbone interact. energy: -0.994
local terms energy: -225.664618
where:
bonds (distance) C4'-P energy: -44.225
bonds (distance) P-C4' energy: -39.546
flat angles C4'-P-C4' energy: -50.805
flat angles P-C4'-P energy: -31.139
tors. eta vs tors. theta energy: -59.949
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: 494
Temperature: 1.200000
Total energy: -694.487354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.487354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.487354 (E_RNA)
where:
Base-Base interactions energy: -479.540
where: short stacking energy: -200.458
Base-Backbone interact. energy: -1.607
local terms energy: -213.340948
where:
bonds (distance) C4'-P energy: -34.897
bonds (distance) P-C4' energy: -45.190
flat angles C4'-P-C4' energy: -47.994
flat angles P-C4'-P energy: -30.992
tors. eta vs tors. theta energy: -54.268
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: 8, replica: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -515.449548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.449548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.449548 (E_RNA)
where:
Base-Base interactions energy: -350.293
where: short stacking energy: -160.353
Base-Backbone interact. energy: -0.416
local terms energy: -164.740179
where:
bonds (distance) C4'-P energy: -33.600
bonds (distance) P-C4' energy: -34.246
flat angles C4'-P-C4' energy: -45.882
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -31.587
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: 8
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -368.245674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.245674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.245674 (E_RNA)
where:
Base-Base interactions energy: -195.286
where: short stacking energy: -96.692
Base-Backbone interact. energy: -1.090
local terms energy: -171.870073
where:
bonds (distance) C4'-P energy: -48.104
bonds (distance) P-C4' energy: -46.252
flat angles C4'-P-C4' energy: -42.051
flat angles P-C4'-P energy: -23.645
tors. eta vs tors. theta energy: -11.818
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: 7
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -206.280777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.280777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.280777 (E_RNA)
where:
Base-Base interactions energy: -73.508
where: short stacking energy: -72.429
Base-Backbone interact. energy: -0.760
local terms energy: -132.012770
where:
bonds (distance) C4'-P energy: -39.090
bonds (distance) P-C4' energy: -41.261
flat angles C4'-P-C4' energy: -34.913
flat angles P-C4'-P energy: -19.621
tors. eta vs tors. theta energy: 2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -889.142670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.142670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.142670 (E_RNA)
where:
Base-Base interactions energy: -633.298
where: short stacking energy: -241.023
Base-Backbone interact. energy: -1.326
local terms energy: -254.518101
where:
bonds (distance) C4'-P energy: -42.479
bonds (distance) P-C4' energy: -58.223
flat angles C4'-P-C4' energy: -53.903
flat angles P-C4'-P energy: -37.351
tors. eta vs tors. theta energy: -62.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -854.518640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.518640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.518640 (E_RNA)
where:
Base-Base interactions energy: -596.918
where: short stacking energy: -251.815
Base-Backbone interact. energy: -1.681
local terms energy: -255.919977
where:
bonds (distance) C4'-P energy: -48.210
bonds (distance) P-C4' energy: -49.574
flat angles C4'-P-C4' energy: -55.153
flat angles P-C4'-P energy: -38.216
tors. eta vs tors. theta energy: -64.768
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: 3, replica: 5
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -764.995054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.995054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.995054 (E_RNA)
where:
Base-Base interactions energy: -533.062
where: short stacking energy: -214.540
Base-Backbone interact. energy: -1.751
local terms energy: -230.181809
where:
bonds (distance) C4'-P energy: -44.188
bonds (distance) P-C4' energy: -50.842
flat angles C4'-P-C4' energy: -49.445
flat angles P-C4'-P energy: -33.953
tors. eta vs tors. theta energy: -51.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -783.347630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.347630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.347630 (E_RNA)
where:
Base-Base interactions energy: -536.971
where: short stacking energy: -233.782
Base-Backbone interact. energy: -1.682
local terms energy: -244.694991
where:
bonds (distance) C4'-P energy: -39.725
bonds (distance) P-C4' energy: -49.134
flat angles C4'-P-C4' energy: -54.827
flat angles P-C4'-P energy: -29.458
tors. eta vs tors. theta energy: -71.551
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: 5, replica: 2
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -756.865535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.865535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.865535 (E_RNA)
where:
Base-Base interactions energy: -506.509
where: short stacking energy: -221.492
Base-Backbone interact. energy: -0.729
local terms energy: -249.627580
where:
bonds (distance) C4'-P energy: -38.169
bonds (distance) P-C4' energy: -51.718
flat angles C4'-P-C4' energy: -52.762
flat angles P-C4'-P energy: -35.763
tors. eta vs tors. theta energy: -71.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -663.043920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.043920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.043920 (E_RNA)
where:
Base-Base interactions energy: -431.276
where: short stacking energy: -207.911
Base-Backbone interact. energy: -2.152
local terms energy: -229.615990
where:
bonds (distance) C4'-P energy: -44.813
bonds (distance) P-C4' energy: -46.568
flat angles C4'-P-C4' energy: -51.489
flat angles P-C4'-P energy: -26.297
tors. eta vs tors. theta energy: -60.448
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: 3
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -670.238675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.238675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.238675 (E_RNA)
where:
Base-Base interactions energy: -473.478
where: short stacking energy: -201.316
Base-Backbone interact. energy: -0.747
local terms energy: -196.013302
where:
bonds (distance) C4'-P energy: -32.848
bonds (distance) P-C4' energy: -36.273
flat angles C4'-P-C4' energy: -47.831
flat angles P-C4'-P energy: -27.944
tors. eta vs tors. theta energy: -51.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -479.579875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.579875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.579875 (E_RNA)
where:
Base-Base interactions energy: -306.637
where: short stacking energy: -150.457
Base-Backbone interact. energy: -0.487
local terms energy: -172.455135
where:
bonds (distance) C4'-P energy: -44.635
bonds (distance) P-C4' energy: -37.707
flat angles C4'-P-C4' energy: -40.182
flat angles P-C4'-P energy: -28.346
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -342.941567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.941567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.941567 (E_RNA)
where:
Base-Base interactions energy: -194.891
where: short stacking energy: -102.458
Base-Backbone interact. energy: 0.032
local terms energy: -148.082675
where:
bonds (distance) C4'-P energy: -39.707
bonds (distance) P-C4' energy: -38.974
flat angles C4'-P-C4' energy: -42.747
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -214.882958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.882958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.882958 (E_RNA)
where:
Base-Base interactions energy: -81.831
where: short stacking energy: -77.917
Base-Backbone interact. energy: -1.106
local terms energy: -131.946119
where:
bonds (distance) C4'-P energy: -35.693
bonds (distance) P-C4' energy: -40.978
flat angles C4'-P-C4' energy: -38.966
flat angles P-C4'-P energy: -25.175
tors. eta vs tors. theta energy: 8.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -880.475590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.475590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.475590 (E_RNA)
where:
Base-Base interactions energy: -619.936
where: short stacking energy: -236.514
Base-Backbone interact. energy: -1.170
local terms energy: -259.369569
where:
bonds (distance) C4'-P energy: -49.806
bonds (distance) P-C4' energy: -43.993
flat angles C4'-P-C4' energy: -55.638
flat angles P-C4'-P energy: -43.407
tors. eta vs tors. theta energy: -66.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -843.661422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.661422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.661422 (E_RNA)
where:
Base-Base interactions energy: -600.132
where: short stacking energy: -248.733
Base-Backbone interact. energy: 0.126
local terms energy: -243.655061
where:
bonds (distance) C4'-P energy: -45.319
bonds (distance) P-C4' energy: -50.597
flat angles C4'-P-C4' energy: -49.874
flat angles P-C4'-P energy: -33.978
tors. eta vs tors. theta energy: -63.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -823.139577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.139577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.139577 (E_RNA)
where:
Base-Base interactions energy: -567.384
where: short stacking energy: -251.581
Base-Backbone interact. energy: -0.396
local terms energy: -255.359779
where:
bonds (distance) C4'-P energy: -42.636
bonds (distance) P-C4' energy: -45.916
flat angles C4'-P-C4' energy: -54.569
flat angles P-C4'-P energy: -38.364
tors. eta vs tors. theta energy: -73.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -770.892402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.892402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.892402 (E_RNA)
where:
Base-Base interactions energy: -536.813
where: short stacking energy: -217.201
Base-Backbone interact. energy: 0.404
local terms energy: -234.483158
where:
bonds (distance) C4'-P energy: -36.239
bonds (distance) P-C4' energy: -46.379
flat angles C4'-P-C4' energy: -52.140
flat angles P-C4'-P energy: -33.342
tors. eta vs tors. theta energy: -66.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -713.849485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.849485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.849485 (E_RNA)
where:
Base-Base interactions energy: -481.477
where: short stacking energy: -226.435
Base-Backbone interact. energy: -0.860
local terms energy: -231.512982
where:
bonds (distance) C4'-P energy: -41.931
bonds (distance) P-C4' energy: -47.777
flat angles C4'-P-C4' energy: -46.249
flat angles P-C4'-P energy: -31.371
tors. eta vs tors. theta energy: -64.186
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: 9
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -652.197261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.197261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.197261 (E_RNA)
where:
Base-Base interactions energy: -438.462
where: short stacking energy: -202.428
Base-Backbone interact. energy: -0.248
local terms energy: -213.487255
where:
bonds (distance) C4'-P energy: -35.222
bonds (distance) P-C4' energy: -45.664
flat angles C4'-P-C4' energy: -50.496
flat angles P-C4'-P energy: -34.409
tors. eta vs tors. theta energy: -47.697
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: 3
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -689.752274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.752274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.752274 (E_RNA)
where:
Base-Base interactions energy: -471.392
where: short stacking energy: -207.172
Base-Backbone interact. energy: -1.000
local terms energy: -217.360332
where:
bonds (distance) C4'-P energy: -44.249
bonds (distance) P-C4' energy: -39.927
flat angles C4'-P-C4' energy: -46.152
flat angles P-C4'-P energy: -30.312
tors. eta vs tors. theta energy: -56.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -496.081274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.081274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.081274 (E_RNA)
where:
Base-Base interactions energy: -323.528
where: short stacking energy: -161.354
Base-Backbone interact. energy: 1.475
local terms energy: -174.028072
where:
bonds (distance) C4'-P energy: -45.339
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -33.532
flat angles P-C4'-P energy: -28.033
tors. eta vs tors. theta energy: -31.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -407.872108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.872108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.872108 (E_RNA)
where:
Base-Base interactions energy: -251.819
where: short stacking energy: -107.847
Base-Backbone interact. energy: -1.203
local terms energy: -154.850163
where:
bonds (distance) C4'-P energy: -36.957
bonds (distance) P-C4' energy: -46.383
flat angles C4'-P-C4' energy: -43.297
flat angles P-C4'-P energy: -18.478
tors. eta vs tors. theta energy: -9.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -212.894320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.894320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.894320 (E_RNA)
where:
Base-Base interactions energy: -76.803
where: short stacking energy: -74.948
Base-Backbone interact. energy: 1.233
local terms energy: -137.324045
where:
bonds (distance) C4'-P energy: -43.984
bonds (distance) P-C4' energy: -38.417
flat angles C4'-P-C4' energy: -29.679
flat angles P-C4'-P energy: -21.690
tors. eta vs tors. theta energy: -3.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -882.906009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.906009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.906009 (E_RNA)
where:
Base-Base interactions energy: -615.886
where: short stacking energy: -238.060
Base-Backbone interact. energy: -1.488
local terms energy: -265.532198
where:
bonds (distance) C4'-P energy: -45.812
bonds (distance) P-C4' energy: -52.143
flat angles C4'-P-C4' energy: -58.704
flat angles P-C4'-P energy: -42.272
tors. eta vs tors. theta energy: -66.601
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: 10
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -873.515359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.515359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.515359 (E_RNA)
where:
Base-Base interactions energy: -611.029
where: short stacking energy: -254.643
Base-Backbone interact. energy: -2.308
local terms energy: -260.177950
where:
bonds (distance) C4'-P energy: -48.005
bonds (distance) P-C4' energy: -47.398
flat angles C4'-P-C4' energy: -55.008
flat angles P-C4'-P energy: -37.091
tors. eta vs tors. theta energy: -72.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -810.144520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.144520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.144520 (E_RNA)
where:
Base-Base interactions energy: -558.797
where: short stacking energy: -248.929
Base-Backbone interact. energy: -0.281
local terms energy: -251.067085
where:
bonds (distance) C4'-P energy: -53.190
bonds (distance) P-C4' energy: -44.773
flat angles C4'-P-C4' energy: -58.813
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -73.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -770.128414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.128414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.128414 (E_RNA)
where:
Base-Base interactions energy: -525.148
where: short stacking energy: -221.723
Base-Backbone interact. energy: 1.798
local terms energy: -246.778581
where:
bonds (distance) C4'-P energy: -41.394
bonds (distance) P-C4' energy: -49.385
flat angles C4'-P-C4' energy: -53.397
flat angles P-C4'-P energy: -35.636
tors. eta vs tors. theta energy: -66.967
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: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -715.971680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.971680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.971680 (E_RNA)
where:
Base-Base interactions energy: -478.470
where: short stacking energy: -195.632
Base-Backbone interact. energy: 0.197
local terms energy: -237.698773
where:
bonds (distance) C4'-P energy: -45.791
bonds (distance) P-C4' energy: -51.309
flat angles C4'-P-C4' energy: -50.126
flat angles P-C4'-P energy: -32.724
tors. eta vs tors. theta energy: -57.748
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: 6, replica: 3
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -698.970158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.970158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.970158 (E_RNA)
where:
Base-Base interactions energy: -473.435
where: short stacking energy: -199.029
Base-Backbone interact. energy: -0.993
local terms energy: -224.541927
where:
bonds (distance) C4'-P energy: -47.886
bonds (distance) P-C4' energy: -42.730
flat angles C4'-P-C4' energy: -46.385
flat angles P-C4'-P energy: -29.806
tors. eta vs tors. theta energy: -57.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -635.021157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.021157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.021157 (E_RNA)
where:
Base-Base interactions energy: -426.604
where: short stacking energy: -185.253
Base-Backbone interact. energy: -0.674
local terms energy: -207.744129
where:
bonds (distance) C4'-P energy: -50.030
bonds (distance) P-C4' energy: -37.127
flat angles C4'-P-C4' energy: -46.734
flat angles P-C4'-P energy: -29.718
tors. eta vs tors. theta energy: -44.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -512.314370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.314370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.314370 (E_RNA)
where:
Base-Base interactions energy: -331.378
where: short stacking energy: -139.064
Base-Backbone interact. energy: 0.068
local terms energy: -181.005010
where:
bonds (distance) C4'-P energy: -37.402
bonds (distance) P-C4' energy: -51.267
flat angles C4'-P-C4' energy: -41.294
flat angles P-C4'-P energy: -24.116
tors. eta vs tors. theta energy: -26.926
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: 8
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -418.310325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.310325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.310325 (E_RNA)
where:
Base-Base interactions energy: -257.014
where: short stacking energy: -123.785
Base-Backbone interact. energy: -0.986
local terms energy: -160.309904
where:
bonds (distance) C4'-P energy: -34.815
bonds (distance) P-C4' energy: -30.131
flat angles C4'-P-C4' energy: -41.237
flat angles P-C4'-P energy: -29.704
tors. eta vs tors. theta energy: -24.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -215.107300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.107300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.107300 (E_RNA)
where:
Base-Base interactions energy: -85.786
where: short stacking energy: -56.391
Base-Backbone interact. energy: 0.274
local terms energy: -129.595280
where:
bonds (distance) C4'-P energy: -36.948
bonds (distance) P-C4' energy: -37.522
flat angles C4'-P-C4' energy: -39.890
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -875.971547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.971547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.971547 (E_RNA)
where:
Base-Base interactions energy: -610.767
where: short stacking energy: -254.985
Base-Backbone interact. energy: -2.120
local terms energy: -263.084608
where:
bonds (distance) C4'-P energy: -41.953
bonds (distance) P-C4' energy: -51.407
flat angles C4'-P-C4' energy: -57.676
flat angles P-C4'-P energy: -43.621
tors. eta vs tors. theta energy: -68.427
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: 4
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -879.340084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.340084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.340084 (E_RNA)
where:
Base-Base interactions energy: -640.250
where: short stacking energy: -247.056
Base-Backbone interact. energy: -2.192
local terms energy: -236.897992
where:
bonds (distance) C4'-P energy: -44.780
bonds (distance) P-C4' energy: -42.519
flat angles C4'-P-C4' energy: -57.021
flat angles P-C4'-P energy: -29.091
tors. eta vs tors. theta energy: -63.487
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: 3, replica: 1
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -809.142369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.142369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.142369 (E_RNA)
where:
Base-Base interactions energy: -567.948
where: short stacking energy: -244.621
Base-Backbone interact. energy: -0.483
local terms energy: -240.711282
where:
bonds (distance) C4'-P energy: -44.304
bonds (distance) P-C4' energy: -36.598
flat angles C4'-P-C4' energy: -54.806
flat angles P-C4'-P energy: -33.957
tors. eta vs tors. theta energy: -71.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -771.237237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.237237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.237237 (E_RNA)
where:
Base-Base interactions energy: -542.126
where: short stacking energy: -231.277
Base-Backbone interact. energy: 2.220
local terms energy: -231.331726
where:
bonds (distance) C4'-P energy: -43.057
bonds (distance) P-C4' energy: -42.761
flat angles C4'-P-C4' energy: -47.053
flat angles P-C4'-P energy: -34.471
tors. eta vs tors. theta energy: -63.989
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: 5, replica: 2
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -733.407943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.407943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.407943 (E_RNA)
where:
Base-Base interactions energy: -496.069
where: short stacking energy: -215.612
Base-Backbone interact. energy: -0.727
local terms energy: -236.612499
where:
bonds (distance) C4'-P energy: -38.011
bonds (distance) P-C4' energy: -48.277
flat angles C4'-P-C4' energy: -54.961
flat angles P-C4'-P energy: -33.600
tors. eta vs tors. theta energy: -61.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -703.093641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.093641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.093641 (E_RNA)
where:
Base-Base interactions energy: -480.908
where: short stacking energy: -216.696
Base-Backbone interact. energy: -1.298
local terms energy: -220.887466
where:
bonds (distance) C4'-P energy: -30.008
bonds (distance) P-C4' energy: -41.896
flat angles C4'-P-C4' energy: -49.537
flat angles P-C4'-P energy: -38.095
tors. eta vs tors. theta energy: -61.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -556.828858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.828858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.828858 (E_RNA)
where:
Base-Base interactions energy: -356.001
where: short stacking energy: -171.643
Base-Backbone interact. energy: -1.102
local terms energy: -199.725679
where:
bonds (distance) C4'-P energy: -35.230
bonds (distance) P-C4' energy: -37.840
flat angles C4'-P-C4' energy: -57.841
flat angles P-C4'-P energy: -28.535
tors. eta vs tors. theta energy: -40.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -599.075085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.075085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.075085 (E_RNA)
where:
Base-Base interactions energy: -400.529
where: short stacking energy: -177.022
Base-Backbone interact. energy: -1.197
local terms energy: -197.349596
where:
bonds (distance) C4'-P energy: -41.525
bonds (distance) P-C4' energy: -37.091
flat angles C4'-P-C4' energy: -49.903
flat angles P-C4'-P energy: -28.968
tors. eta vs tors. theta energy: -39.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -337.251192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.251192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.251192 (E_RNA)
where:
Base-Base interactions energy: -182.414
where: short stacking energy: -88.704
Base-Backbone interact. energy: 0.359
local terms energy: -155.195434
where:
bonds (distance) C4'-P energy: -34.446
bonds (distance) P-C4' energy: -45.819
flat angles C4'-P-C4' energy: -33.270
flat angles P-C4'-P energy: -25.771
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -214.057041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.057041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.057041 (E_RNA)
where:
Base-Base interactions energy: -91.141
where: short stacking energy: -87.782
Base-Backbone interact. energy: -0.964
local terms energy: -121.951350
where:
bonds (distance) C4'-P energy: -37.435
bonds (distance) P-C4' energy: -35.335
flat angles C4'-P-C4' energy: -34.448
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: 0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -865.587962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.587962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.587962 (E_RNA)
where:
Base-Base interactions energy: -607.826
where: short stacking energy: -252.749
Base-Backbone interact. energy: -0.846
local terms energy: -256.916060
where:
bonds (distance) C4'-P energy: -45.501
bonds (distance) P-C4' energy: -49.363
flat angles C4'-P-C4' energy: -56.915
flat angles P-C4'-P energy: -36.696
tors. eta vs tors. theta energy: -68.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -880.369759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.369759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.369759 (E_RNA)
where:
Base-Base interactions energy: -626.259
where: short stacking energy: -254.190
Base-Backbone interact. energy: -0.920
local terms energy: -253.190088
where:
bonds (distance) C4'-P energy: -52.243
bonds (distance) P-C4' energy: -39.657
flat angles C4'-P-C4' energy: -51.184
flat angles P-C4'-P energy: -42.956
tors. eta vs tors. theta energy: -67.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -813.130527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.130527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.130527 (E_RNA)
where:
Base-Base interactions energy: -561.198
where: short stacking energy: -241.356
Base-Backbone interact. energy: -0.187
local terms energy: -251.745926
where:
bonds (distance) C4'-P energy: -51.342
bonds (distance) P-C4' energy: -45.249
flat angles C4'-P-C4' energy: -50.364
flat angles P-C4'-P energy: -37.479
tors. eta vs tors. theta energy: -67.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -760.809980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.809980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.809980 (E_RNA)
where:
Base-Base interactions energy: -515.560
where: short stacking energy: -229.490
Base-Backbone interact. energy: -0.456
local terms energy: -244.794266
where:
bonds (distance) C4'-P energy: -36.786
bonds (distance) P-C4' energy: -44.191
flat angles C4'-P-C4' energy: -61.178
flat angles P-C4'-P energy: -35.646
tors. eta vs tors. theta energy: -66.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -740.915146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.915146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.915146 (E_RNA)
where:
Base-Base interactions energy: -514.385
where: short stacking energy: -205.106
Base-Backbone interact. energy: -0.626
local terms energy: -225.904649
where:
bonds (distance) C4'-P energy: -41.580
bonds (distance) P-C4' energy: -37.891
flat angles C4'-P-C4' energy: -54.105
flat angles P-C4'-P energy: -38.067
tors. eta vs tors. theta energy: -54.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -729.942606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.942606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.942606 (E_RNA)
where:
Base-Base interactions energy: -488.049
where: short stacking energy: -201.445
Base-Backbone interact. energy: -1.800
local terms energy: -240.093454
where:
bonds (distance) C4'-P energy: -44.946
bonds (distance) P-C4' energy: -45.527
flat angles C4'-P-C4' energy: -55.095
flat angles P-C4'-P energy: -33.673
tors. eta vs tors. theta energy: -60.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -573.128238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.128238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.128238 (E_RNA)
where:
Base-Base interactions energy: -370.099
where: short stacking energy: -181.738
Base-Backbone interact. energy: -0.231
local terms energy: -202.798623
where:
bonds (distance) C4'-P energy: -39.249
bonds (distance) P-C4' energy: -44.785
flat angles C4'-P-C4' energy: -47.897
flat angles P-C4'-P energy: -28.544
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: 8, replica: 9
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -602.087478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.087478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.087478 (E_RNA)
where:
Base-Base interactions energy: -404.798
where: short stacking energy: -184.462
Base-Backbone interact. energy: -0.603
local terms energy: -196.686097
where:
bonds (distance) C4'-P energy: -41.617
bonds (distance) P-C4' energy: -33.604
flat angles C4'-P-C4' energy: -43.782
flat angles P-C4'-P energy: -28.872
tors. eta vs tors. theta energy: -48.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -346.353595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.353595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.353595 (E_RNA)
where:
Base-Base interactions energy: -177.345
where: short stacking energy: -100.731
Base-Backbone interact. energy: 2.092
local terms energy: -171.100211
where:
bonds (distance) C4'-P energy: -44.472
bonds (distance) P-C4' energy: -52.522
flat angles C4'-P-C4' energy: -42.515
flat angles P-C4'-P energy: -21.834
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -207.962656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.962656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.962656 (E_RNA)
where:
Base-Base interactions energy: -71.918
where: short stacking energy: -59.315
Base-Backbone interact. energy: 1.941
local terms energy: -137.985010
where:
bonds (distance) C4'-P energy: -31.382
bonds (distance) P-C4' energy: -48.799
flat angles C4'-P-C4' energy: -37.168
flat angles P-C4'-P energy: -24.333
tors. eta vs tors. theta energy: 3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -874.775862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.775862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.775862 (E_RNA)
where:
Base-Base interactions energy: -630.573
where: short stacking energy: -247.104
Base-Backbone interact. energy: -0.083
local terms energy: -244.119905
where:
bonds (distance) C4'-P energy: -44.781
bonds (distance) P-C4' energy: -42.081
flat angles C4'-P-C4' energy: -52.514
flat angles P-C4'-P energy: -41.128
tors. eta vs tors. theta energy: -63.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -862.965042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.965042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.965042 (E_RNA)
where:
Base-Base interactions energy: -605.166
where: short stacking energy: -252.540
Base-Backbone interact. energy: -2.118
local terms energy: -255.680625
where:
bonds (distance) C4'-P energy: -45.677
bonds (distance) P-C4' energy: -48.040
flat angles C4'-P-C4' energy: -53.167
flat angles P-C4'-P energy: -38.865
tors. eta vs tors. theta energy: -69.931
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: 1
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -806.506332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.506332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.506332 (E_RNA)
where:
Base-Base interactions energy: -567.110
where: short stacking energy: -249.160
Base-Backbone interact. energy: -0.306
local terms energy: -239.090397
where:
bonds (distance) C4'-P energy: -35.043
bonds (distance) P-C4' energy: -53.012
flat angles C4'-P-C4' energy: -46.997
flat angles P-C4'-P energy: -37.122
tors. eta vs tors. theta energy: -66.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -767.428108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.428108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.428108 (E_RNA)
where:
Base-Base interactions energy: -519.894
where: short stacking energy: -233.135
Base-Backbone interact. energy: 1.662
local terms energy: -249.196351
where:
bonds (distance) C4'-P energy: -56.155
bonds (distance) P-C4' energy: -41.619
flat angles C4'-P-C4' energy: -51.565
flat angles P-C4'-P energy: -34.896
tors. eta vs tors. theta energy: -64.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -758.018518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.018518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.018518 (E_RNA)
where:
Base-Base interactions energy: -525.108
where: short stacking energy: -218.643
Base-Backbone interact. energy: 0.226
local terms energy: -233.136525
where:
bonds (distance) C4'-P energy: -40.570
bonds (distance) P-C4' energy: -40.434
flat angles C4'-P-C4' energy: -52.330
flat angles P-C4'-P energy: -31.961
tors. eta vs tors. theta energy: -67.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -705.102132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.102132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.102132 (E_RNA)
where:
Base-Base interactions energy: -486.319
where: short stacking energy: -196.304
Base-Backbone interact. energy: -2.799
local terms energy: -215.984964
where:
bonds (distance) C4'-P energy: -46.395
bonds (distance) P-C4' energy: -37.858
flat angles C4'-P-C4' energy: -47.878
flat angles P-C4'-P energy: -28.854
tors. eta vs tors. theta energy: -54.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -613.131842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.131842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.131842 (E_RNA)
where:
Base-Base interactions energy: -414.951
where: short stacking energy: -180.585
Base-Backbone interact. energy: 0.425
local terms energy: -198.605489
where:
bonds (distance) C4'-P energy: -40.562
bonds (distance) P-C4' energy: -36.739
flat angles C4'-P-C4' energy: -44.463
flat angles P-C4'-P energy: -31.294
tors. eta vs tors. theta energy: -45.547
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: 6
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -559.447803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.447803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.447803 (E_RNA)
where:
Base-Base interactions energy: -354.124
where: short stacking energy: -162.487
Base-Backbone interact. energy: -1.024
local terms energy: -204.299772
where:
bonds (distance) C4'-P energy: -45.267
bonds (distance) P-C4' energy: -46.144
flat angles C4'-P-C4' energy: -37.386
flat angles P-C4'-P energy: -36.428
tors. eta vs tors. theta energy: -39.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -333.210679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.210679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.210679 (E_RNA)
where:
Base-Base interactions energy: -185.145
where: short stacking energy: -107.638
Base-Backbone interact. energy: -0.340
local terms energy: -147.725289
where:
bonds (distance) C4'-P energy: -36.712
bonds (distance) P-C4' energy: -44.744
flat angles C4'-P-C4' energy: -34.295
flat angles P-C4'-P energy: -25.046
tors. eta vs tors. theta energy: -6.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -210.978140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.978140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.978140 (E_RNA)
where:
Base-Base interactions energy: -71.536
where: short stacking energy: -61.053
Base-Backbone interact. energy: -2.776
local terms energy: -136.666233
where:
bonds (distance) C4'-P energy: -36.081
bonds (distance) P-C4' energy: -43.853
flat angles C4'-P-C4' energy: -41.434
flat angles P-C4'-P energy: -23.938
tors. eta vs tors. theta energy: 8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -875.669233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.669233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.669233 (E_RNA)
where:
Base-Base interactions energy: -612.820
where: short stacking energy: -239.818
Base-Backbone interact. energy: -1.191
local terms energy: -261.658368
where:
bonds (distance) C4'-P energy: -49.789
bonds (distance) P-C4' energy: -51.279
flat angles C4'-P-C4' energy: -56.893
flat angles P-C4'-P energy: -41.140
tors. eta vs tors. theta energy: -62.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -868.366012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.366012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.366012 (E_RNA)
where:
Base-Base interactions energy: -604.893
where: short stacking energy: -253.603
Base-Backbone interact. energy: 0.132
local terms energy: -263.605173
where:
bonds (distance) C4'-P energy: -46.059
bonds (distance) P-C4' energy: -52.089
flat angles C4'-P-C4' energy: -56.938
flat angles P-C4'-P energy: -36.010
tors. eta vs tors. theta energy: -72.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -803.697734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.697734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.697734 (E_RNA)
where:
Base-Base interactions energy: -558.598
where: short stacking energy: -261.590
Base-Backbone interact. energy: -0.333
local terms energy: -244.766772
where:
bonds (distance) C4'-P energy: -39.711
bonds (distance) P-C4' energy: -47.613
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -32.961
tors. eta vs tors. theta energy: -71.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -760.886127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.886127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.886127 (E_RNA)
where:
Base-Base interactions energy: -520.327
where: short stacking energy: -221.820
Base-Backbone interact. energy: -0.557
local terms energy: -240.002209
where:
bonds (distance) C4'-P energy: -43.174
bonds (distance) P-C4' energy: -39.900
flat angles C4'-P-C4' energy: -53.729
flat angles P-C4'-P energy: -36.816
tors. eta vs tors. theta energy: -66.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -729.595591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.595591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.595591 (E_RNA)
where:
Base-Base interactions energy: -484.353
where: short stacking energy: -216.340
Base-Backbone interact. energy: -0.397
local terms energy: -244.845760
where:
bonds (distance) C4'-P energy: -49.710
bonds (distance) P-C4' energy: -56.666
flat angles C4'-P-C4' energy: -44.928
flat angles P-C4'-P energy: -33.255
tors. eta vs tors. theta energy: -60.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -705.844667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.844667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.844667 (E_RNA)
where:
Base-Base interactions energy: -481.979
where: short stacking energy: -195.718
Base-Backbone interact. energy: -1.214
local terms energy: -222.652328
where:
bonds (distance) C4'-P energy: -42.517
bonds (distance) P-C4' energy: -47.208
flat angles C4'-P-C4' energy: -45.117
flat angles P-C4'-P energy: -28.829
tors. eta vs tors. theta energy: -58.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -612.875669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.875669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.875669 (E_RNA)
where:
Base-Base interactions energy: -405.861
where: short stacking energy: -179.752
Base-Backbone interact. energy: -0.251
local terms energy: -206.763328
where:
bonds (distance) C4'-P energy: -41.660
bonds (distance) P-C4' energy: -45.249
flat angles C4'-P-C4' energy: -45.069
flat angles P-C4'-P energy: -32.919
tors. eta vs tors. theta energy: -41.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -558.146003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.146003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.146003 (E_RNA)
where:
Base-Base interactions energy: -352.179
where: short stacking energy: -165.756
Base-Backbone interact. energy: -1.318
local terms energy: -204.648889
where:
bonds (distance) C4'-P energy: -40.340
bonds (distance) P-C4' energy: -46.098
flat angles C4'-P-C4' energy: -43.115
flat angles P-C4'-P energy: -32.623
tors. eta vs tors. theta energy: -42.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -377.612837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.612837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.612837 (E_RNA)
where:
Base-Base interactions energy: -212.147
where: short stacking energy: -106.961
Base-Backbone interact. energy: -1.262
local terms energy: -164.203278
where:
bonds (distance) C4'-P energy: -38.040
bonds (distance) P-C4' energy: -34.414
flat angles C4'-P-C4' energy: -50.225
flat angles P-C4'-P energy: -25.161
tors. eta vs tors. theta energy: -16.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -221.232152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.232152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.232152 (E_RNA)
where:
Base-Base interactions energy: -80.325
where: short stacking energy: -75.202
Base-Backbone interact. energy: 0.363
local terms energy: -141.269984
where:
bonds (distance) C4'-P energy: -39.128
bonds (distance) P-C4' energy: -46.844
flat angles C4'-P-C4' energy: -33.821
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: -0.171
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)
replica 4 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 36324170
moves confirmed later: 40102846
all moves confirmed: 76427016
percent of confirmed moves: 9.553377
current total energy: -811.772016
recalc. total energy: -811.772016
replica 10 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 36581058
moves confirmed later: 39745285
all moves confirmed: 76326343
percent of confirmed moves: 9.540793
current total energy: -768.828762
recalc. total energy: -768.828762
replica 1 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 36426871
moves confirmed later: 39348296
all moves confirmed: 75775167
percent of confirmed moves: 9.471896
current total energy: -770.311754
recalc. total energy: -770.311754
replica 5 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 51808893
moves confirmed later: 59699697
all moves confirmed: 111508590
percent of confirmed moves: 13.938574
current total energy: -697.387424
recalc. total energy: -697.387424
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 65723269
moves confirmed later: 77770998
all moves confirmed: 143494267
percent of confirmed moves: 17.936783
current total energy: -649.197012
recalc. total energy: -649.197012
replica 2 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 46428054
moves confirmed later: 52770992
all moves confirmed: 99199046
percent of confirmed moves: 12.399881
current total energy: -631.008406
recalc. total energy: -631.008406
replica 9 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 55461719
moves confirmed later: 64385236
all moves confirmed: 119846955
percent of confirmed moves: 14.980869
current total energy: -563.622310
recalc. total energy: -563.622310
replica 6 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 44443744
moves confirmed later: 49960160
all moves confirmed: 94403904
percent of confirmed moves: 11.800488
current total energy: -332.069340
recalc. total energy: -332.069340
replica 8 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 64613991
moves confirmed later: 76299578
all moves confirmed: 140913569
percent of confirmed moves: 17.614196
current total energy: -278.878629
recalc. total energy: -278.878629
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 82367304
moves confirmed later: 99486743
all moves confirmed: 181854047
percent of confirmed moves: 22.731756
current total energy: -158.105173
recalc. total energy: -158.105173
out arg RESULTS//1/iMet-unmod_with_CCA-bd02532e_01
Time of doing 8000000 iterations: 9853.530 seconds