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-9c2a3f5d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod-9c2a3f5d/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA
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 72 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: 365
n_atoms_counter: 365
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 72.000000 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-9c2a3f5d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod-9c2a3f5d/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA
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 72 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: 365
n_atoms_counter: 365
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 72.000000 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-9c2a3f5d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod-9c2a3f5d/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA
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 72 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: 365
n_atoms_counter: 365
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 72.000000 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-9c2a3f5d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod-9c2a3f5d/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA
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 72 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: 365
n_atoms_counter: 365
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 72.000000 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-9c2a3f5d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod-9c2a3f5d/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA
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 72 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: 365
n_atoms_counter: 365
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 72.000000 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-9c2a3f5d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod-9c2a3f5d/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA
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 72 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: 365
n_atoms_counter: 365
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 72.000000 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-9c2a3f5d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod-9c2a3f5d/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA
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 72 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: 365
n_atoms_counter: 365
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 72.000000 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-9c2a3f5d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod-9c2a3f5d/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA
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 72 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: 365
n_atoms_counter: 365
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 72.000000 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-9c2a3f5d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod-9c2a3f5d/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA
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 72 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: 365
n_atoms_counter: 365
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 72.000000 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-9c2a3f5d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/iMet-unmod-9c2a3f5d/inputs/seq.fa: 1
curr_seq: _AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGCAGAGUGGCGCAGCGGAAGCGUGCUGGGCCCAUAACCCAGAGGUCGAUGGAUCGAAACCAUCCUCUGCUA
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 72 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: 365
n_atoms_counter: 365
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 72.000000 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: -297.447384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.447384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.447384 (E_RNA)
where:
Base-Base interactions energy: -16.921
where: short stacking energy: -16.921
Base-Backbone interact. energy: -0.000
local terms energy: -280.526001
where:
bonds (distance) C4'-P energy: -69.954
bonds (distance) P-C4' energy: -65.310
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -60.471
tors. eta vs tors. theta energy: -31.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -297.447384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.447384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.447384 (E_RNA)
where:
Base-Base interactions energy: -16.921
where: short stacking energy: -16.921
Base-Backbone interact. energy: -0.000
local terms energy: -280.526001
where:
bonds (distance) C4'-P energy: -69.954
bonds (distance) P-C4' energy: -65.310
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -60.471
tors. eta vs tors. theta energy: -31.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -297.447384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.447384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.447384 (E_RNA)
where:
Base-Base interactions energy: -16.921
where: short stacking energy: -16.921
Base-Backbone interact. energy: -0.000
local terms energy: -280.526001
where:
bonds (distance) C4'-P energy: -69.954
bonds (distance) P-C4' energy: -65.310
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -60.471
tors. eta vs tors. theta energy: -31.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -297.447384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.447384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.447384 (E_RNA)
where:
Base-Base interactions energy: -16.921
where: short stacking energy: -16.921
Base-Backbone interact. energy: -0.000
local terms energy: -280.526001
where:
bonds (distance) C4'-P energy: -69.954
bonds (distance) P-C4' energy: -65.310
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -60.471
tors. eta vs tors. theta energy: -31.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -297.447384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.447384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.447384 (E_RNA)
where:
Base-Base interactions energy: -16.921
where: short stacking energy: -16.921
Base-Backbone interact. energy: -0.000
local terms energy: -280.526001
where:
bonds (distance) C4'-P energy: -69.954
bonds (distance) P-C4' energy: -65.310
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -60.471
tors. eta vs tors. theta energy: -31.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -297.447384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.447384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.447384 (E_RNA)
where:
Base-Base interactions energy: -16.921
where: short stacking energy: -16.921
Base-Backbone interact. energy: -0.000
local terms energy: -280.526001
where:
bonds (distance) C4'-P energy: -69.954
bonds (distance) P-C4' energy: -65.310
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -60.471
tors. eta vs tors. theta energy: -31.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -297.447384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.447384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.447384 (E_RNA)
where:
Base-Base interactions energy: -16.921
where: short stacking energy: -16.921
Base-Backbone interact. energy: -0.000
local terms energy: -280.526001
where:
bonds (distance) C4'-P energy: -69.954
bonds (distance) P-C4' energy: -65.310
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -60.471
tors. eta vs tors. theta energy: -31.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -297.447384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.447384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.447384 (E_RNA)
where:
Base-Base interactions energy: -16.921
where: short stacking energy: -16.921
Base-Backbone interact. energy: -0.000
local terms energy: -280.526001
where:
bonds (distance) C4'-P energy: -69.954
bonds (distance) P-C4' energy: -65.310
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -60.471
tors. eta vs tors. theta energy: -31.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -297.447384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.447384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.447384 (E_RNA)
where:
Base-Base interactions energy: -16.921
where: short stacking energy: -16.921
Base-Backbone interact. energy: -0.000
local terms energy: -280.526001
where:
bonds (distance) C4'-P energy: -69.954
bonds (distance) P-C4' energy: -65.310
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -60.471
tors. eta vs tors. theta energy: -31.928
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -297.447384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.447384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.447384 (E_RNA)
where:
Base-Base interactions energy: -16.921
where: short stacking energy: -16.921
Base-Backbone interact. energy: -0.000
local terms energy: -280.526001
where:
bonds (distance) C4'-P energy: -69.954
bonds (distance) P-C4' energy: -65.310
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -60.471
tors. eta vs tors. theta energy: -31.928
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: 2
Temperature: 0.900000
Total energy: -398.497117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.497117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.497117 (E_RNA)
where:
Base-Base interactions energy: -184.680
where: short stacking energy: -174.073
Base-Backbone interact. energy: 0.083
local terms energy: -213.901064
where:
bonds (distance) C4'-P energy: -44.237
bonds (distance) P-C4' energy: -52.775
flat angles C4'-P-C4' energy: -48.143
flat angles P-C4'-P energy: -31.160
tors. eta vs tors. theta energy: -37.586
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -408.672776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.672776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.672776 (E_RNA)
where:
Base-Base interactions energy: -188.523
where: short stacking energy: -187.588
Base-Backbone interact. energy: -0.241
local terms energy: -219.909368
where:
bonds (distance) C4'-P energy: -43.214
bonds (distance) P-C4' energy: -41.497
flat angles C4'-P-C4' energy: -49.429
flat angles P-C4'-P energy: -33.057
tors. eta vs tors. theta energy: -52.712
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -388.561211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.561211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.561211 (E_RNA)
where:
Base-Base interactions energy: -182.139
where: short stacking energy: -181.758
Base-Backbone interact. energy: -1.019
local terms energy: -205.403196
where:
bonds (distance) C4'-P energy: -46.367
bonds (distance) P-C4' energy: -37.911
flat angles C4'-P-C4' energy: -45.801
flat angles P-C4'-P energy: -30.427
tors. eta vs tors. theta energy: -44.896
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: 2
Temperature: 1.050000
Total energy: -326.841781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.841781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.841781 (E_RNA)
where:
Base-Base interactions energy: -139.263
where: short stacking energy: -133.997
Base-Backbone interact. energy: -0.225
local terms energy: -187.354405
where:
bonds (distance) C4'-P energy: -45.603
bonds (distance) P-C4' energy: -47.073
flat angles C4'-P-C4' energy: -41.799
flat angles P-C4'-P energy: -24.279
tors. eta vs tors. theta energy: -28.601
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -311.188829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.188829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.188829 (E_RNA)
where:
Base-Base interactions energy: -149.047
where: short stacking energy: -122.328
Base-Backbone interact. energy: 1.948
local terms energy: -164.089815
where:
bonds (distance) C4'-P energy: -35.668
bonds (distance) P-C4' energy: -43.598
flat angles C4'-P-C4' energy: -40.198
flat angles P-C4'-P energy: -29.241
tors. eta vs tors. theta energy: -15.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -300.063134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.063134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.063134 (E_RNA)
where:
Base-Base interactions energy: -121.858
where: short stacking energy: -120.231
Base-Backbone interact. energy: -0.178
local terms energy: -178.026692
where:
bonds (distance) C4'-P energy: -40.978
bonds (distance) P-C4' energy: -50.199
flat angles C4'-P-C4' energy: -43.116
flat angles P-C4'-P energy: -25.738
tors. eta vs tors. theta energy: -17.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -296.819076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.819076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.819076 (E_RNA)
where:
Base-Base interactions energy: -16.921
where: short stacking energy: -16.921
Base-Backbone interact. energy: -0.000
local terms energy: -279.897691
where:
bonds (distance) C4'-P energy: -69.838
bonds (distance) P-C4' energy: -65.303
flat angles C4'-P-C4' energy: -52.279
flat angles P-C4'-P energy: -60.397
tors. eta vs tors. theta energy: -32.081
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -296.733160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.733160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.733160 (E_RNA)
where:
Base-Base interactions energy: -16.921
where: short stacking energy: -16.921
Base-Backbone interact. energy: -0.000
local terms energy: -279.811776
where:
bonds (distance) C4'-P energy: -69.838
bonds (distance) P-C4' energy: -65.303
flat angles C4'-P-C4' energy: -52.279
flat angles P-C4'-P energy: -60.434
tors. eta vs tors. theta energy: -31.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -296.733161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.733161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.733161 (E_RNA)
where:
Base-Base interactions energy: -16.921
where: short stacking energy: -16.921
Base-Backbone interact. energy: -0.000
local terms energy: -279.811776
where:
bonds (distance) C4'-P energy: -69.838
bonds (distance) P-C4' energy: -65.303
flat angles C4'-P-C4' energy: -52.279
flat angles P-C4'-P energy: -60.434
tors. eta vs tors. theta energy: -31.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -296.733161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.733161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.733161 (E_RNA)
where:
Base-Base interactions energy: -16.921
where: short stacking energy: -16.921
Base-Backbone interact. energy: -0.000
local terms energy: -279.811776
where:
bonds (distance) C4'-P energy: -69.838
bonds (distance) P-C4' energy: -65.303
flat angles C4'-P-C4' energy: -52.279
flat angles P-C4'-P energy: -60.434
tors. eta vs tors. theta energy: -31.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -438.284797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.284797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.284797 (E_RNA)
where:
Base-Base interactions energy: -201.587
where: short stacking energy: -184.081
Base-Backbone interact. energy: -0.947
local terms energy: -235.750947
where:
bonds (distance) C4'-P energy: -49.995
bonds (distance) P-C4' energy: -50.927
flat angles C4'-P-C4' energy: -52.269
flat angles P-C4'-P energy: -36.284
tors. eta vs tors. theta energy: -46.277
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: 3
Temperature: 0.950000
Total energy: -438.081003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.081003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.081003 (E_RNA)
where:
Base-Base interactions energy: -229.888
where: short stacking energy: -161.010
Base-Backbone interact. energy: 3.367
local terms energy: -211.560285
where:
bonds (distance) C4'-P energy: -37.952
bonds (distance) P-C4' energy: -50.230
flat angles C4'-P-C4' energy: -53.612
flat angles P-C4'-P energy: -28.789
tors. eta vs tors. theta energy: -40.977
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: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -450.946944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.946944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.946944 (E_RNA)
where:
Base-Base interactions energy: -231.267
where: short stacking energy: -160.301
Base-Backbone interact. energy: -1.468
local terms energy: -218.211970
where:
bonds (distance) C4'-P energy: -49.114
bonds (distance) P-C4' energy: -51.284
flat angles C4'-P-C4' energy: -42.760
flat angles P-C4'-P energy: -33.629
tors. eta vs tors. theta energy: -41.425
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: 3
Temperature: 1.050000
Total energy: -336.553177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.553177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.553177 (E_RNA)
where:
Base-Base interactions energy: -142.583
where: short stacking energy: -136.861
Base-Backbone interact. energy: -0.805
local terms energy: -193.164858
where:
bonds (distance) C4'-P energy: -42.111
bonds (distance) P-C4' energy: -48.442
flat angles C4'-P-C4' energy: -43.702
flat angles P-C4'-P energy: -27.585
tors. eta vs tors. theta energy: -31.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -311.676879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.676879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.676879 (E_RNA)
where:
Base-Base interactions energy: -159.813
where: short stacking energy: -108.464
Base-Backbone interact. energy: -0.833
local terms energy: -151.030864
where:
bonds (distance) C4'-P energy: -46.917
bonds (distance) P-C4' energy: -46.593
flat angles C4'-P-C4' energy: -33.556
flat angles P-C4'-P energy: -17.479
tors. eta vs tors. theta energy: -6.486
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -301.947600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.947600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.947600 (E_RNA)
where:
Base-Base interactions energy: -141.647
where: short stacking energy: -85.183
Base-Backbone interact. energy: -0.498
local terms energy: -159.802748
where:
bonds (distance) C4'-P energy: -39.903
bonds (distance) P-C4' energy: -52.197
flat angles C4'-P-C4' energy: -31.461
flat angles P-C4'-P energy: -25.050
tors. eta vs tors. theta energy: -11.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -301.789962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.789962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.789962 (E_RNA)
where:
Base-Base interactions energy: -141.796
where: short stacking energy: -98.067
Base-Backbone interact. energy: -0.835
local terms energy: -159.158924
where:
bonds (distance) C4'-P energy: -39.138
bonds (distance) P-C4' energy: -49.462
flat angles C4'-P-C4' energy: -38.356
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -237.413751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.413751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.413751 (E_RNA)
where:
Base-Base interactions energy: -88.075
where: short stacking energy: -79.933
Base-Backbone interact. energy: -1.639
local terms energy: -147.699807
where:
bonds (distance) C4'-P energy: -36.782
bonds (distance) P-C4' energy: -46.062
flat angles C4'-P-C4' energy: -35.037
flat angles P-C4'-P energy: -20.054
tors. eta vs tors. theta energy: -9.765
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -220.761858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.761858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.761858 (E_RNA)
where:
Base-Base interactions energy: -98.964
where: short stacking energy: -73.645
Base-Backbone interact. energy: -3.381
local terms energy: -118.417792
where:
bonds (distance) C4'-P energy: -27.497
bonds (distance) P-C4' energy: -41.730
flat angles C4'-P-C4' energy: -32.785
flat angles P-C4'-P energy: -21.152
tors. eta vs tors. theta energy: 4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -213.148610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.148610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.148610 (E_RNA)
where:
Base-Base interactions energy: -68.740
where: short stacking energy: -55.164
Base-Backbone interact. energy: 1.295
local terms energy: -145.703594
where:
bonds (distance) C4'-P energy: -47.633
bonds (distance) P-C4' energy: -37.861
flat angles C4'-P-C4' energy: -37.640
flat angles P-C4'-P energy: -25.019
tors. eta vs tors. theta energy: 2.450
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: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -487.565827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.565827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.565827 (E_RNA)
where:
Base-Base interactions energy: -270.703
where: short stacking energy: -186.459
Base-Backbone interact. energy: -0.226
local terms energy: -216.636456
where:
bonds (distance) C4'-P energy: -48.200
bonds (distance) P-C4' energy: -47.028
flat angles C4'-P-C4' energy: -41.058
flat angles P-C4'-P energy: -34.867
tors. eta vs tors. theta energy: -45.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -444.891529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.891529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.891529 (E_RNA)
where:
Base-Base interactions energy: -234.390
where: short stacking energy: -143.670
Base-Backbone interact. energy: -0.792
local terms energy: -209.710195
where:
bonds (distance) C4'-P energy: -49.133
bonds (distance) P-C4' energy: -53.346
flat angles C4'-P-C4' energy: -47.626
flat angles P-C4'-P energy: -34.565
tors. eta vs tors. theta energy: -25.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -451.503923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.503923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.503923 (E_RNA)
where:
Base-Base interactions energy: -270.949
where: short stacking energy: -141.951
Base-Backbone interact. energy: 0.868
local terms energy: -181.422850
where:
bonds (distance) C4'-P energy: -45.915
bonds (distance) P-C4' energy: -51.424
flat angles C4'-P-C4' energy: -39.030
flat angles P-C4'-P energy: -20.173
tors. eta vs tors. theta energy: -24.881
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: 4
Temperature: 1.050000
Total energy: -387.588160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.588160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.588160 (E_RNA)
where:
Base-Base interactions energy: -202.907
where: short stacking energy: -137.338
Base-Backbone interact. energy: -0.799
local terms energy: -183.882318
where:
bonds (distance) C4'-P energy: -41.171
bonds (distance) P-C4' energy: -48.709
flat angles C4'-P-C4' energy: -36.765
flat angles P-C4'-P energy: -37.775
tors. eta vs tors. theta energy: -19.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -346.360661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.360661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.360661 (E_RNA)
where:
Base-Base interactions energy: -175.242
where: short stacking energy: -111.950
Base-Backbone interact. energy: -0.570
local terms energy: -170.549101
where:
bonds (distance) C4'-P energy: -44.198
bonds (distance) P-C4' energy: -45.539
flat angles C4'-P-C4' energy: -43.502
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -20.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -296.796927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.796927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.796927 (E_RNA)
where:
Base-Base interactions energy: -111.974
where: short stacking energy: -81.380
Base-Backbone interact. energy: -1.002
local terms energy: -183.820850
where:
bonds (distance) C4'-P energy: -48.533
bonds (distance) P-C4' energy: -44.581
flat angles C4'-P-C4' energy: -45.062
flat angles P-C4'-P energy: -32.547
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: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -295.050574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.050574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.050574 (E_RNA)
where:
Base-Base interactions energy: -134.437
where: short stacking energy: -91.539
Base-Backbone interact. energy: 1.765
local terms energy: -162.378806
where:
bonds (distance) C4'-P energy: -45.614
bonds (distance) P-C4' energy: -35.741
flat angles C4'-P-C4' energy: -44.280
flat angles P-C4'-P energy: -23.828
tors. eta vs tors. theta energy: -12.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -254.245400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.245400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.245400 (E_RNA)
where:
Base-Base interactions energy: -91.168
where: short stacking energy: -83.169
Base-Backbone interact. energy: -1.015
local terms energy: -162.062791
where:
bonds (distance) C4'-P energy: -52.377
bonds (distance) P-C4' energy: -41.043
flat angles C4'-P-C4' energy: -35.575
flat angles P-C4'-P energy: -23.164
tors. eta vs tors. theta energy: -9.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -305.297607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.297607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.297607 (E_RNA)
where:
Base-Base interactions energy: -141.321
where: short stacking energy: -89.854
Base-Backbone interact. energy: 1.354
local terms energy: -165.330079
where:
bonds (distance) C4'-P energy: -28.189
bonds (distance) P-C4' energy: -52.351
flat angles C4'-P-C4' energy: -33.479
flat angles P-C4'-P energy: -29.408
tors. eta vs tors. theta energy: -21.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -254.380268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.380268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.380268 (E_RNA)
where:
Base-Base interactions energy: -120.393
where: short stacking energy: -72.557
Base-Backbone interact. energy: -0.566
local terms energy: -133.420537
where:
bonds (distance) C4'-P energy: -29.400
bonds (distance) P-C4' energy: -40.507
flat angles C4'-P-C4' energy: -41.894
flat angles P-C4'-P energy: -22.461
tors. eta vs tors. theta energy: 0.841
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: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -539.251164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.251164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.251164 (E_RNA)
where:
Base-Base interactions energy: -312.759
where: short stacking energy: -192.259
Base-Backbone interact. energy: -0.811
local terms energy: -225.680396
where:
bonds (distance) C4'-P energy: -51.584
bonds (distance) P-C4' energy: -46.372
flat angles C4'-P-C4' energy: -49.701
flat angles P-C4'-P energy: -33.613
tors. eta vs tors. theta energy: -44.411
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: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -512.400241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.400241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.400241 (E_RNA)
where:
Base-Base interactions energy: -303.261
where: short stacking energy: -168.738
Base-Backbone interact. energy: -1.352
local terms energy: -207.787307
where:
bonds (distance) C4'-P energy: -49.696
bonds (distance) P-C4' energy: -49.272
flat angles C4'-P-C4' energy: -44.541
flat angles P-C4'-P energy: -30.847
tors. eta vs tors. theta energy: -33.431
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: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -474.233016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.233016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.233016 (E_RNA)
where:
Base-Base interactions energy: -288.892
where: short stacking energy: -144.919
Base-Backbone interact. energy: -1.693
local terms energy: -183.647654
where:
bonds (distance) C4'-P energy: -39.728
bonds (distance) P-C4' energy: -45.024
flat angles C4'-P-C4' energy: -48.425
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -29.830
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: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -418.909942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.909942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.909942 (E_RNA)
where:
Base-Base interactions energy: -226.866
where: short stacking energy: -134.880
Base-Backbone interact. energy: -0.786
local terms energy: -191.257409
where:
bonds (distance) C4'-P energy: -39.249
bonds (distance) P-C4' energy: -47.546
flat angles C4'-P-C4' energy: -52.920
flat angles P-C4'-P energy: -23.529
tors. eta vs tors. theta energy: -28.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -342.977424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.977424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.977424 (E_RNA)
where:
Base-Base interactions energy: -169.984
where: short stacking energy: -108.842
Base-Backbone interact. energy: -0.199
local terms energy: -172.794364
where:
bonds (distance) C4'-P energy: -38.722
bonds (distance) P-C4' energy: -43.811
flat angles C4'-P-C4' energy: -46.903
flat angles P-C4'-P energy: -26.955
tors. eta vs tors. theta energy: -16.404
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: 5
Temperature: 1.150000
Total energy: -288.983049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.983049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.983049 (E_RNA)
where:
Base-Base interactions energy: -134.272
where: short stacking energy: -97.253
Base-Backbone interact. energy: 0.169
local terms energy: -154.879848
where:
bonds (distance) C4'-P energy: -43.292
bonds (distance) P-C4' energy: -40.001
flat angles C4'-P-C4' energy: -37.496
flat angles P-C4'-P energy: -18.921
tors. eta vs tors. theta energy: -15.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -305.193142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.193142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.193142 (E_RNA)
where:
Base-Base interactions energy: -130.156
where: short stacking energy: -95.684
Base-Backbone interact. energy: -0.813
local terms energy: -174.224300
where:
bonds (distance) C4'-P energy: -46.581
bonds (distance) P-C4' energy: -44.648
flat angles C4'-P-C4' energy: -45.855
flat angles P-C4'-P energy: -24.696
tors. eta vs tors. theta energy: -12.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -353.480195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.480195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.480195 (E_RNA)
where:
Base-Base interactions energy: -209.673
where: short stacking energy: -110.277
Base-Backbone interact. energy: -0.750
local terms energy: -143.057234
where:
bonds (distance) C4'-P energy: -40.600
bonds (distance) P-C4' energy: -42.638
flat angles C4'-P-C4' energy: -31.229
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -11.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -285.878661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.878661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.878661 (E_RNA)
where:
Base-Base interactions energy: -96.230
where: short stacking energy: -79.894
Base-Backbone interact. energy: -0.865
local terms energy: -188.783471
where:
bonds (distance) C4'-P energy: -44.818
bonds (distance) P-C4' energy: -49.076
flat angles C4'-P-C4' energy: -48.164
flat angles P-C4'-P energy: -27.240
tors. eta vs tors. theta energy: -19.485
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: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -198.206398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.206398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.206398 (E_RNA)
where:
Base-Base interactions energy: -87.171
where: short stacking energy: -56.111
Base-Backbone interact. energy: 1.128
local terms energy: -112.163376
where:
bonds (distance) C4'-P energy: -44.096
bonds (distance) P-C4' energy: -26.405
flat angles C4'-P-C4' energy: -32.438
flat angles P-C4'-P energy: -17.412
tors. eta vs tors. theta energy: 8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -543.907797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.907797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.907797 (E_RNA)
where:
Base-Base interactions energy: -328.055
where: short stacking energy: -179.763
Base-Backbone interact. energy: -1.711
local terms energy: -214.142283
where:
bonds (distance) C4'-P energy: -40.713
bonds (distance) P-C4' energy: -51.381
flat angles C4'-P-C4' energy: -55.323
flat angles P-C4'-P energy: -28.943
tors. eta vs tors. theta energy: -37.782
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: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -552.191812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.191812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.191812 (E_RNA)
where:
Base-Base interactions energy: -333.375
where: short stacking energy: -162.456
Base-Backbone interact. energy: 2.213
local terms energy: -221.029359
where:
bonds (distance) C4'-P energy: -46.950
bonds (distance) P-C4' energy: -48.213
flat angles C4'-P-C4' energy: -49.377
flat angles P-C4'-P energy: -34.474
tors. eta vs tors. theta energy: -42.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -540.514696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.514696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.514696 (E_RNA)
where:
Base-Base interactions energy: -340.079
where: short stacking energy: -181.329
Base-Backbone interact. energy: -1.340
local terms energy: -199.096075
where:
bonds (distance) C4'-P energy: -32.831
bonds (distance) P-C4' energy: -50.931
flat angles C4'-P-C4' energy: -49.126
flat angles P-C4'-P energy: -32.155
tors. eta vs tors. theta energy: -34.053
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: 7
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -543.115300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.115300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.115300 (E_RNA)
where:
Base-Base interactions energy: -322.588
where: short stacking energy: -181.338
Base-Backbone interact. energy: -1.355
local terms energy: -219.171822
where:
bonds (distance) C4'-P energy: -47.615
bonds (distance) P-C4' energy: -47.366
flat angles C4'-P-C4' energy: -45.916
flat angles P-C4'-P energy: -29.217
tors. eta vs tors. theta energy: -49.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -429.318500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.318500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.318500 (E_RNA)
where:
Base-Base interactions energy: -247.717
where: short stacking energy: -135.533
Base-Backbone interact. energy: -0.773
local terms energy: -180.828525
where:
bonds (distance) C4'-P energy: -43.411
bonds (distance) P-C4' energy: -47.868
flat angles C4'-P-C4' energy: -43.182
flat angles P-C4'-P energy: -25.113
tors. eta vs tors. theta energy: -21.254
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: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -319.580583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.580583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.580583 (E_RNA)
where:
Base-Base interactions energy: -141.414
where: short stacking energy: -115.831
Base-Backbone interact. energy: 0.297
local terms energy: -178.463880
where:
bonds (distance) C4'-P energy: -36.911
bonds (distance) P-C4' energy: -49.433
flat angles C4'-P-C4' energy: -31.950
flat angles P-C4'-P energy: -32.172
tors. eta vs tors. theta energy: -27.998
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: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -366.929978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.929978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.929978 (E_RNA)
where:
Base-Base interactions energy: -208.955
where: short stacking energy: -135.602
Base-Backbone interact. energy: -1.079
local terms energy: -156.896097
where:
bonds (distance) C4'-P energy: -38.470
bonds (distance) P-C4' energy: -43.704
flat angles C4'-P-C4' energy: -31.738
flat angles P-C4'-P energy: -22.606
tors. eta vs tors. theta energy: -20.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -321.658189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.658189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.658189 (E_RNA)
where:
Base-Base interactions energy: -171.682
where: short stacking energy: -84.190
Base-Backbone interact. energy: -1.116
local terms energy: -148.859878
where:
bonds (distance) C4'-P energy: -39.224
bonds (distance) P-C4' energy: -48.012
flat angles C4'-P-C4' energy: -43.934
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -5.029
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: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -223.451925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.451925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.451925 (E_RNA)
where:
Base-Base interactions energy: -82.247
where: short stacking energy: -79.505
Base-Backbone interact. energy: -0.892
local terms energy: -140.312828
where:
bonds (distance) C4'-P energy: -36.553
bonds (distance) P-C4' energy: -41.943
flat angles C4'-P-C4' energy: -34.047
flat angles P-C4'-P energy: -25.720
tors. eta vs tors. theta energy: -2.049
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: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -210.845743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.845743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.845743 (E_RNA)
where:
Base-Base interactions energy: -85.314
where: short stacking energy: -53.200
Base-Backbone interact. energy: 3.065
local terms energy: -128.596845
where:
bonds (distance) C4'-P energy: -44.571
bonds (distance) P-C4' energy: -37.757
flat angles C4'-P-C4' energy: -27.963
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: 2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -538.208533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.208533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.208533 (E_RNA)
where:
Base-Base interactions energy: -314.557
where: short stacking energy: -167.174
Base-Backbone interact. energy: -0.378
local terms energy: -223.273828
where:
bonds (distance) C4'-P energy: -48.051
bonds (distance) P-C4' energy: -50.513
flat angles C4'-P-C4' energy: -48.525
flat angles P-C4'-P energy: -28.886
tors. eta vs tors. theta energy: -47.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -622.083585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.083585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.083585 (E_RNA)
where:
Base-Base interactions energy: -395.666
where: short stacking energy: -192.386
Base-Backbone interact. energy: -0.772
local terms energy: -225.645363
where:
bonds (distance) C4'-P energy: -52.071
bonds (distance) P-C4' energy: -44.408
flat angles C4'-P-C4' energy: -44.108
flat angles P-C4'-P energy: -33.271
tors. eta vs tors. theta energy: -51.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -553.667775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.667775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.667775 (E_RNA)
where:
Base-Base interactions energy: -367.264
where: short stacking energy: -174.902
Base-Backbone interact. energy: -1.219
local terms energy: -185.184975
where:
bonds (distance) C4'-P energy: -37.952
bonds (distance) P-C4' energy: -45.083
flat angles C4'-P-C4' energy: -45.615
flat angles P-C4'-P energy: -19.546
tors. eta vs tors. theta energy: -36.989
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: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -535.997625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.997625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.997625 (E_RNA)
where:
Base-Base interactions energy: -327.274
where: short stacking energy: -179.440
Base-Backbone interact. energy: -0.476
local terms energy: -208.247919
where:
bonds (distance) C4'-P energy: -40.338
bonds (distance) P-C4' energy: -42.326
flat angles C4'-P-C4' energy: -41.598
flat angles P-C4'-P energy: -32.591
tors. eta vs tors. theta energy: -51.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -381.417160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.417160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.417160 (E_RNA)
where:
Base-Base interactions energy: -215.407
where: short stacking energy: -118.326
Base-Backbone interact. energy: 3.936
local terms energy: -169.945356
where:
bonds (distance) C4'-P energy: -49.536
bonds (distance) P-C4' energy: -40.617
flat angles C4'-P-C4' energy: -42.658
flat angles P-C4'-P energy: -24.412
tors. eta vs tors. theta energy: -12.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -422.917020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.917020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.917020 (E_RNA)
where:
Base-Base interactions energy: -269.473
where: short stacking energy: -137.031
Base-Backbone interact. energy: -0.926
local terms energy: -152.517633
where:
bonds (distance) C4'-P energy: -42.390
bonds (distance) P-C4' energy: -39.739
flat angles C4'-P-C4' energy: -23.255
flat angles P-C4'-P energy: -23.924
tors. eta vs tors. theta energy: -23.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -319.620372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.620372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.620372 (E_RNA)
where:
Base-Base interactions energy: -149.812
where: short stacking energy: -99.000
Base-Backbone interact. energy: -1.040
local terms energy: -168.768704
where:
bonds (distance) C4'-P energy: -43.364
bonds (distance) P-C4' energy: -44.773
flat angles C4'-P-C4' energy: -40.172
flat angles P-C4'-P energy: -28.995
tors. eta vs tors. theta energy: -11.465
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: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -274.792310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.792310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.792310 (E_RNA)
where:
Base-Base interactions energy: -137.506
where: short stacking energy: -79.073
Base-Backbone interact. energy: 0.716
local terms energy: -138.002302
where:
bonds (distance) C4'-P energy: -34.998
bonds (distance) P-C4' energy: -41.365
flat angles C4'-P-C4' energy: -31.405
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: -8.059
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: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -291.976167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.976167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.976167 (E_RNA)
where:
Base-Base interactions energy: -166.896
where: short stacking energy: -93.579
Base-Backbone interact. energy: 1.469
local terms energy: -126.548964
where:
bonds (distance) C4'-P energy: -37.236
bonds (distance) P-C4' energy: -29.120
flat angles C4'-P-C4' energy: -30.375
flat angles P-C4'-P energy: -26.132
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -232.355205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.355205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.355205 (E_RNA)
where:
Base-Base interactions energy: -100.147
where: short stacking energy: -62.617
Base-Backbone interact. energy: 1.064
local terms energy: -133.272258
where:
bonds (distance) C4'-P energy: -39.700
bonds (distance) P-C4' energy: -46.987
flat angles C4'-P-C4' energy: -33.845
flat angles P-C4'-P energy: -19.500
tors. eta vs tors. theta energy: 6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -634.500294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.500294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.500294 (E_RNA)
where:
Base-Base interactions energy: -399.111
where: short stacking energy: -183.097
Base-Backbone interact. energy: -2.444
local terms energy: -232.945208
where:
bonds (distance) C4'-P energy: -45.738
bonds (distance) P-C4' energy: -52.853
flat angles C4'-P-C4' energy: -45.551
flat angles P-C4'-P energy: -36.675
tors. eta vs tors. theta energy: -52.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -572.855101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.855101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.855101 (E_RNA)
where:
Base-Base interactions energy: -346.997
where: short stacking energy: -172.575
Base-Backbone interact. energy: 0.638
local terms energy: -226.496087
where:
bonds (distance) C4'-P energy: -36.881
bonds (distance) P-C4' energy: -58.644
flat angles C4'-P-C4' energy: -49.606
flat angles P-C4'-P energy: -34.119
tors. eta vs tors. theta energy: -47.246
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: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -568.328163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.328163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.328163 (E_RNA)
where:
Base-Base interactions energy: -346.886
where: short stacking energy: -190.112
Base-Backbone interact. energy: -0.409
local terms energy: -221.033649
where:
bonds (distance) C4'-P energy: -43.010
bonds (distance) P-C4' energy: -49.032
flat angles C4'-P-C4' energy: -47.113
flat angles P-C4'-P energy: -31.394
tors. eta vs tors. theta energy: -50.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -533.181957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.181957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.181957 (E_RNA)
where:
Base-Base interactions energy: -346.328
where: short stacking energy: -143.170
Base-Backbone interact. energy: -0.796
local terms energy: -186.058507
where:
bonds (distance) C4'-P energy: -45.165
bonds (distance) P-C4' energy: -37.769
flat angles C4'-P-C4' energy: -46.764
flat angles P-C4'-P energy: -27.331
tors. eta vs tors. theta energy: -29.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -482.776469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.776469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.776469 (E_RNA)
where:
Base-Base interactions energy: -294.920
where: short stacking energy: -161.881
Base-Backbone interact. energy: -0.222
local terms energy: -187.634980
where:
bonds (distance) C4'-P energy: -32.674
bonds (distance) P-C4' energy: -46.259
flat angles C4'-P-C4' energy: -46.365
flat angles P-C4'-P energy: -25.825
tors. eta vs tors. theta energy: -36.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -415.391258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.391258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.391258 (E_RNA)
where:
Base-Base interactions energy: -241.068
where: short stacking energy: -149.524
Base-Backbone interact. energy: -0.426
local terms energy: -173.897844
where:
bonds (distance) C4'-P energy: -28.693
bonds (distance) P-C4' energy: -40.248
flat angles C4'-P-C4' energy: -44.405
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -37.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -369.355184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.355184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.355184 (E_RNA)
where:
Base-Base interactions energy: -207.196
where: short stacking energy: -97.906
Base-Backbone interact. energy: 1.136
local terms energy: -163.295001
where:
bonds (distance) C4'-P energy: -39.897
bonds (distance) P-C4' energy: -51.434
flat angles C4'-P-C4' energy: -40.215
flat angles P-C4'-P energy: -20.830
tors. eta vs tors. theta energy: -10.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -304.169763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.169763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.169763 (E_RNA)
where:
Base-Base interactions energy: -146.483
where: short stacking energy: -106.381
Base-Backbone interact. energy: -0.823
local terms energy: -156.863800
where:
bonds (distance) C4'-P energy: -44.089
bonds (distance) P-C4' energy: -42.860
flat angles C4'-P-C4' energy: -36.809
flat angles P-C4'-P energy: -25.898
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -317.154454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.154454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.154454 (E_RNA)
where:
Base-Base interactions energy: -163.106
where: short stacking energy: -96.268
Base-Backbone interact. energy: -0.560
local terms energy: -153.489298
where:
bonds (distance) C4'-P energy: -39.873
bonds (distance) P-C4' energy: -45.073
flat angles C4'-P-C4' energy: -37.218
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -223.370228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.370228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.370228 (E_RNA)
where:
Base-Base interactions energy: -105.174
where: short stacking energy: -39.894
Base-Backbone interact. energy: 2.984
local terms energy: -121.180098
where:
bonds (distance) C4'-P energy: -34.575
bonds (distance) P-C4' energy: -42.298
flat angles C4'-P-C4' energy: -42.457
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: 12.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -647.385664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.385664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.385664 (E_RNA)
where:
Base-Base interactions energy: -413.427
where: short stacking energy: -207.274
Base-Backbone interact. energy: -0.574
local terms energy: -233.384419
where:
bonds (distance) C4'-P energy: -46.257
bonds (distance) P-C4' energy: -44.559
flat angles C4'-P-C4' energy: -52.093
flat angles P-C4'-P energy: -36.220
tors. eta vs tors. theta energy: -54.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -625.459048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.459048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.459048 (E_RNA)
where:
Base-Base interactions energy: -390.753
where: short stacking energy: -177.048
Base-Backbone interact. energy: -0.898
local terms energy: -233.807239
where:
bonds (distance) C4'-P energy: -48.369
bonds (distance) P-C4' energy: -54.564
flat angles C4'-P-C4' energy: -52.139
flat angles P-C4'-P energy: -30.417
tors. eta vs tors. theta energy: -48.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -542.968883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.968883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.968883 (E_RNA)
where:
Base-Base interactions energy: -336.379
where: short stacking energy: -150.197
Base-Backbone interact. energy: -1.561
local terms energy: -205.028429
where:
bonds (distance) C4'-P energy: -43.740
bonds (distance) P-C4' energy: -44.443
flat angles C4'-P-C4' energy: -44.496
flat angles P-C4'-P energy: -37.736
tors. eta vs tors. theta energy: -34.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -540.343333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.343333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.343333 (E_RNA)
where:
Base-Base interactions energy: -333.340
where: short stacking energy: -185.941
Base-Backbone interact. energy: -0.715
local terms energy: -206.288531
where:
bonds (distance) C4'-P energy: -36.428
bonds (distance) P-C4' energy: -41.915
flat angles C4'-P-C4' energy: -51.861
flat angles P-C4'-P energy: -33.362
tors. eta vs tors. theta energy: -42.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -546.899427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.899427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.899427 (E_RNA)
where:
Base-Base interactions energy: -346.623
where: short stacking energy: -179.566
Base-Backbone interact. energy: 0.019
local terms energy: -200.296020
where:
bonds (distance) C4'-P energy: -44.415
bonds (distance) P-C4' energy: -36.551
flat angles C4'-P-C4' energy: -48.425
flat angles P-C4'-P energy: -27.068
tors. eta vs tors. theta energy: -43.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -448.614032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.614032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.614032 (E_RNA)
where:
Base-Base interactions energy: -285.778
where: short stacking energy: -115.789
Base-Backbone interact. energy: 2.285
local terms energy: -165.120419
where:
bonds (distance) C4'-P energy: -36.300
bonds (distance) P-C4' energy: -39.956
flat angles C4'-P-C4' energy: -47.714
flat angles P-C4'-P energy: -24.186
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -377.631360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.631360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.631360 (E_RNA)
where:
Base-Base interactions energy: -218.464
where: short stacking energy: -103.656
Base-Backbone interact. energy: -0.913
local terms energy: -158.254887
where:
bonds (distance) C4'-P energy: -39.153
bonds (distance) P-C4' energy: -40.450
flat angles C4'-P-C4' energy: -34.484
flat angles P-C4'-P energy: -29.160
tors. eta vs tors. theta energy: -15.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -367.509208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.509208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.509208 (E_RNA)
where:
Base-Base interactions energy: -192.498
where: short stacking energy: -107.717
Base-Backbone interact. energy: -0.288
local terms energy: -174.723405
where:
bonds (distance) C4'-P energy: -43.916
bonds (distance) P-C4' energy: -48.173
flat angles C4'-P-C4' energy: -33.160
flat angles P-C4'-P energy: -28.446
tors. eta vs tors. theta energy: -21.028
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: 5
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -372.576492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.576492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.576492 (E_RNA)
where:
Base-Base interactions energy: -223.792
where: short stacking energy: -97.508
Base-Backbone interact. energy: -1.411
local terms energy: -147.373407
where:
bonds (distance) C4'-P energy: -35.234
bonds (distance) P-C4' energy: -37.980
flat angles C4'-P-C4' energy: -35.400
flat angles P-C4'-P energy: -23.027
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -208.330264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.330264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.330264 (E_RNA)
where:
Base-Base interactions energy: -72.931
where: short stacking energy: -44.953
Base-Backbone interact. energy: 0.153
local terms energy: -135.552518
where:
bonds (distance) C4'-P energy: -35.082
bonds (distance) P-C4' energy: -47.385
flat angles C4'-P-C4' energy: -37.614
flat angles P-C4'-P energy: -24.066
tors. eta vs tors. theta energy: 8.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -680.769439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.769439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.769439 (E_RNA)
where:
Base-Base interactions energy: -447.989
where: short stacking energy: -210.837
Base-Backbone interact. energy: -0.694
local terms energy: -232.086758
where:
bonds (distance) C4'-P energy: -54.306
bonds (distance) P-C4' energy: -39.877
flat angles C4'-P-C4' energy: -53.433
flat angles P-C4'-P energy: -29.908
tors. eta vs tors. theta energy: -54.563
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: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -627.250033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.250033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.250033 (E_RNA)
where:
Base-Base interactions energy: -413.730
where: short stacking energy: -193.197
Base-Backbone interact. energy: -0.909
local terms energy: -212.611359
where:
bonds (distance) C4'-P energy: -43.784
bonds (distance) P-C4' energy: -42.707
flat angles C4'-P-C4' energy: -48.669
flat angles P-C4'-P energy: -32.774
tors. eta vs tors. theta energy: -44.676
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: 8
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -576.738043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.738043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.738043 (E_RNA)
where:
Base-Base interactions energy: -390.146
where: short stacking energy: -172.313
Base-Backbone interact. energy: 1.073
local terms energy: -187.664802
where:
bonds (distance) C4'-P energy: -47.774
bonds (distance) P-C4' energy: -45.979
flat angles C4'-P-C4' energy: -38.567
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -36.796
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: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -533.045313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.045313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.045313 (E_RNA)
where:
Base-Base interactions energy: -339.645
where: short stacking energy: -152.461
Base-Backbone interact. energy: -0.449
local terms energy: -192.951930
where:
bonds (distance) C4'-P energy: -44.861
bonds (distance) P-C4' energy: -49.096
flat angles C4'-P-C4' energy: -45.874
flat angles P-C4'-P energy: -26.220
tors. eta vs tors. theta energy: -26.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -519.651072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.651072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.651072 (E_RNA)
where:
Base-Base interactions energy: -322.448
where: short stacking energy: -167.046
Base-Backbone interact. energy: -2.439
local terms energy: -194.764172
where:
bonds (distance) C4'-P energy: -45.810
bonds (distance) P-C4' energy: -48.644
flat angles C4'-P-C4' energy: -35.284
flat angles P-C4'-P energy: -32.481
tors. eta vs tors. theta energy: -32.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -491.781357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.781357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.781357 (E_RNA)
where:
Base-Base interactions energy: -319.985
where: short stacking energy: -145.863
Base-Backbone interact. energy: -0.848
local terms energy: -170.948485
where:
bonds (distance) C4'-P energy: -34.786
bonds (distance) P-C4' energy: -46.026
flat angles C4'-P-C4' energy: -42.612
flat angles P-C4'-P energy: -23.743
tors. eta vs tors. theta energy: -23.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -399.825426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.825426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.825426 (E_RNA)
where:
Base-Base interactions energy: -248.163
where: short stacking energy: -126.014
Base-Backbone interact. energy: 2.082
local terms energy: -153.743664
where:
bonds (distance) C4'-P energy: -36.786
bonds (distance) P-C4' energy: -39.140
flat angles C4'-P-C4' energy: -43.171
flat angles P-C4'-P energy: -17.769
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: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -339.983189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.983189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.983189 (E_RNA)
where:
Base-Base interactions energy: -192.458
where: short stacking energy: -102.220
Base-Backbone interact. energy: -1.128
local terms energy: -146.397899
where:
bonds (distance) C4'-P energy: -33.160
bonds (distance) P-C4' energy: -33.968
flat angles C4'-P-C4' energy: -35.041
flat angles P-C4'-P energy: -34.565
tors. eta vs tors. theta energy: -9.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -352.682154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.682154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.682154 (E_RNA)
where:
Base-Base interactions energy: -200.950
where: short stacking energy: -107.343
Base-Backbone interact. energy: -1.574
local terms energy: -150.158491
where:
bonds (distance) C4'-P energy: -38.950
bonds (distance) P-C4' energy: -40.293
flat angles C4'-P-C4' energy: -36.307
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -15.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -219.409770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.409770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.409770 (E_RNA)
where:
Base-Base interactions energy: -74.187
where: short stacking energy: -49.678
Base-Backbone interact. energy: -0.447
local terms energy: -144.776169
where:
bonds (distance) C4'-P energy: -39.510
bonds (distance) P-C4' energy: -45.751
flat angles C4'-P-C4' energy: -32.953
flat angles P-C4'-P energy: -21.089
tors. eta vs tors. theta energy: -5.474
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: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -707.915635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.915635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.915635 (E_RNA)
where:
Base-Base interactions energy: -481.378
where: short stacking energy: -210.100
Base-Backbone interact. energy: -1.371
local terms energy: -225.166807
where:
bonds (distance) C4'-P energy: -43.024
bonds (distance) P-C4' energy: -46.856
flat angles C4'-P-C4' energy: -47.988
flat angles P-C4'-P energy: -34.636
tors. eta vs tors. theta energy: -52.662
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: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -638.617089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.617089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.617089 (E_RNA)
where:
Base-Base interactions energy: -407.401
where: short stacking energy: -179.858
Base-Backbone interact. energy: -2.891
local terms energy: -228.325151
where:
bonds (distance) C4'-P energy: -49.057
bonds (distance) P-C4' energy: -49.140
flat angles C4'-P-C4' energy: -53.511
flat angles P-C4'-P energy: -28.561
tors. eta vs tors. theta energy: -48.055
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: 8
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -582.066589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.066589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.066589 (E_RNA)
where:
Base-Base interactions energy: -388.765
where: short stacking energy: -176.539
Base-Backbone interact. energy: 1.998
local terms energy: -195.300236
where:
bonds (distance) C4'-P energy: -43.774
bonds (distance) P-C4' energy: -49.542
flat angles C4'-P-C4' energy: -42.708
flat angles P-C4'-P energy: -29.985
tors. eta vs tors. theta energy: -29.292
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: 11
Temperature: 1.050000
Total energy: -532.695399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.695399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.695399 (E_RNA)
where:
Base-Base interactions energy: -326.202
where: short stacking energy: -173.209
Base-Backbone interact. energy: -0.438
local terms energy: -206.055247
where:
bonds (distance) C4'-P energy: -42.193
bonds (distance) P-C4' energy: -48.902
flat angles C4'-P-C4' energy: -52.523
flat angles P-C4'-P energy: -21.519
tors. eta vs tors. theta energy: -40.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -491.847165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.847165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.847165 (E_RNA)
where:
Base-Base interactions energy: -297.174
where: short stacking energy: -158.825
Base-Backbone interact. energy: 2.722
local terms energy: -197.395813
where:
bonds (distance) C4'-P energy: -39.369
bonds (distance) P-C4' energy: -49.916
flat angles C4'-P-C4' energy: -38.455
flat angles P-C4'-P energy: -34.834
tors. eta vs tors. theta energy: -34.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -490.520080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.520080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.520080 (E_RNA)
where:
Base-Base interactions energy: -311.787
where: short stacking energy: -142.104
Base-Backbone interact. energy: 1.049
local terms energy: -179.781958
where:
bonds (distance) C4'-P energy: -40.038
bonds (distance) P-C4' energy: -50.342
flat angles C4'-P-C4' energy: -48.675
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -25.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -386.707708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.707708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.707708 (E_RNA)
where:
Base-Base interactions energy: -225.368
where: short stacking energy: -140.369
Base-Backbone interact. energy: -0.582
local terms energy: -160.757943
where:
bonds (distance) C4'-P energy: -39.634
bonds (distance) P-C4' energy: -38.132
flat angles C4'-P-C4' energy: -44.817
flat angles P-C4'-P energy: -22.210
tors. eta vs tors. theta energy: -15.965
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: 8, replica: 5
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -380.351645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.351645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.351645 (E_RNA)
where:
Base-Base interactions energy: -202.926
where: short stacking energy: -89.814
Base-Backbone interact. energy: -0.002
local terms energy: -177.424018
where:
bonds (distance) C4'-P energy: -41.953
bonds (distance) P-C4' energy: -37.619
flat angles C4'-P-C4' energy: -43.757
flat angles P-C4'-P energy: -30.851
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: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -320.953213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.953213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.953213 (E_RNA)
where:
Base-Base interactions energy: -160.700
where: short stacking energy: -91.218
Base-Backbone interact. energy: 4.332
local terms energy: -164.585295
where:
bonds (distance) C4'-P energy: -47.328
bonds (distance) P-C4' energy: -40.025
flat angles C4'-P-C4' energy: -44.128
flat angles P-C4'-P energy: -29.313
tors. eta vs tors. theta energy: -3.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -213.709100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.709100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.709100 (E_RNA)
where:
Base-Base interactions energy: -93.472
where: short stacking energy: -68.842
Base-Backbone interact. energy: 0.967
local terms energy: -121.203953
where:
bonds (distance) C4'-P energy: -42.746
bonds (distance) P-C4' energy: -41.541
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -15.450
tors. eta vs tors. theta energy: 0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -715.432041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.432041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.432041 (E_RNA)
where:
Base-Base interactions energy: -481.238
where: short stacking energy: -195.018
Base-Backbone interact. energy: -0.832
local terms energy: -233.361576
where:
bonds (distance) C4'-P energy: -46.816
bonds (distance) P-C4' energy: -51.991
flat angles C4'-P-C4' energy: -53.213
flat angles P-C4'-P energy: -28.127
tors. eta vs tors. theta energy: -53.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -650.230937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.230937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.230937 (E_RNA)
where:
Base-Base interactions energy: -417.854
where: short stacking energy: -208.100
Base-Backbone interact. energy: -0.633
local terms energy: -231.743316
where:
bonds (distance) C4'-P energy: -42.570
bonds (distance) P-C4' energy: -48.851
flat angles C4'-P-C4' energy: -52.869
flat angles P-C4'-P energy: -37.523
tors. eta vs tors. theta energy: -49.931
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: 8
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -634.643053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.643053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.643053 (E_RNA)
where:
Base-Base interactions energy: -436.919
where: short stacking energy: -194.486
Base-Backbone interact. energy: -1.072
local terms energy: -196.651996
where:
bonds (distance) C4'-P energy: -39.381
bonds (distance) P-C4' energy: -41.392
flat angles C4'-P-C4' energy: -44.134
flat angles P-C4'-P energy: -27.054
tors. eta vs tors. theta energy: -44.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -590.066840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.066840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.066840 (E_RNA)
where:
Base-Base interactions energy: -395.104
where: short stacking energy: -176.598
Base-Backbone interact. energy: 0.895
local terms energy: -195.858476
where:
bonds (distance) C4'-P energy: -36.006
bonds (distance) P-C4' energy: -49.431
flat angles C4'-P-C4' energy: -55.732
flat angles P-C4'-P energy: -24.065
tors. eta vs tors. theta energy: -30.626
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: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -482.496994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.496994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.496994 (E_RNA)
where:
Base-Base interactions energy: -281.445
where: short stacking energy: -138.356
Base-Backbone interact. energy: -0.599
local terms energy: -200.452391
where:
bonds (distance) C4'-P energy: -45.163
bonds (distance) P-C4' energy: -49.222
flat angles C4'-P-C4' energy: -44.086
flat angles P-C4'-P energy: -25.615
tors. eta vs tors. theta energy: -36.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -524.101435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.101435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.101435 (E_RNA)
where:
Base-Base interactions energy: -320.296
where: short stacking energy: -145.340
Base-Backbone interact. energy: -0.706
local terms energy: -203.099675
where:
bonds (distance) C4'-P energy: -45.035
bonds (distance) P-C4' energy: -36.676
flat angles C4'-P-C4' energy: -53.640
flat angles P-C4'-P energy: -32.594
tors. eta vs tors. theta energy: -35.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -371.041334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.041334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.041334 (E_RNA)
where:
Base-Base interactions energy: -212.462
where: short stacking energy: -107.939
Base-Backbone interact. energy: 0.492
local terms energy: -159.070917
where:
bonds (distance) C4'-P energy: -45.464
bonds (distance) P-C4' energy: -36.959
flat angles C4'-P-C4' energy: -42.879
flat angles P-C4'-P energy: -21.140
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -392.976106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.976106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.976106 (E_RNA)
where:
Base-Base interactions energy: -235.001
where: short stacking energy: -119.350
Base-Backbone interact. energy: -1.236
local terms energy: -156.739600
where:
bonds (distance) C4'-P energy: -40.736
bonds (distance) P-C4' energy: -40.778
flat angles C4'-P-C4' energy: -29.099
flat angles P-C4'-P energy: -27.020
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -286.884614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.884614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.884614 (E_RNA)
where:
Base-Base interactions energy: -149.578
where: short stacking energy: -105.410
Base-Backbone interact. energy: -1.770
local terms energy: -135.536449
where:
bonds (distance) C4'-P energy: -37.635
bonds (distance) P-C4' energy: -24.634
flat angles C4'-P-C4' energy: -42.338
flat angles P-C4'-P energy: -19.746
tors. eta vs tors. theta energy: -11.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -238.156279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.156279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.156279 (E_RNA)
where:
Base-Base interactions energy: -107.700
where: short stacking energy: -57.003
Base-Backbone interact. energy: 0.933
local terms energy: -131.388972
where:
bonds (distance) C4'-P energy: -42.683
bonds (distance) P-C4' energy: -42.796
flat angles C4'-P-C4' energy: -26.460
flat angles P-C4'-P energy: -19.911
tors. eta vs tors. theta energy: 0.461
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: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -706.348782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.348782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.348782 (E_RNA)
where:
Base-Base interactions energy: -475.940
where: short stacking energy: -207.115
Base-Backbone interact. energy: 0.525
local terms energy: -230.934242
where:
bonds (distance) C4'-P energy: -47.222
bonds (distance) P-C4' energy: -44.232
flat angles C4'-P-C4' energy: -49.513
flat angles P-C4'-P energy: -36.710
tors. eta vs tors. theta energy: -53.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -678.194076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.194076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.194076 (E_RNA)
where:
Base-Base interactions energy: -454.636
where: short stacking energy: -206.320
Base-Backbone interact. energy: -0.905
local terms energy: -222.653081
where:
bonds (distance) C4'-P energy: -47.750
bonds (distance) P-C4' energy: -50.007
flat angles C4'-P-C4' energy: -55.897
flat angles P-C4'-P energy: -23.954
tors. eta vs tors. theta energy: -45.044
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: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -651.089463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.089463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.089463 (E_RNA)
where:
Base-Base interactions energy: -424.234
where: short stacking energy: -179.839
Base-Backbone interact. energy: -1.442
local terms energy: -225.413035
where:
bonds (distance) C4'-P energy: -48.197
bonds (distance) P-C4' energy: -43.750
flat angles C4'-P-C4' energy: -50.857
flat angles P-C4'-P energy: -37.780
tors. eta vs tors. theta energy: -44.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -626.728338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.728338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.728338 (E_RNA)
where:
Base-Base interactions energy: -419.480
where: short stacking energy: -174.635
Base-Backbone interact. energy: -0.511
local terms energy: -206.738009
where:
bonds (distance) C4'-P energy: -45.263
bonds (distance) P-C4' energy: -47.422
flat angles C4'-P-C4' energy: -47.351
flat angles P-C4'-P energy: -24.831
tors. eta vs tors. theta energy: -41.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -489.858996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.858996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.858996 (E_RNA)
where:
Base-Base interactions energy: -294.872
where: short stacking energy: -147.143
Base-Backbone interact. energy: -0.829
local terms energy: -194.158546
where:
bonds (distance) C4'-P energy: -45.709
bonds (distance) P-C4' energy: -45.451
flat angles C4'-P-C4' energy: -48.326
flat angles P-C4'-P energy: -26.370
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: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -513.910207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.910207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.910207 (E_RNA)
where:
Base-Base interactions energy: -334.077
where: short stacking energy: -159.495
Base-Backbone interact. energy: -0.342
local terms energy: -179.491188
where:
bonds (distance) C4'-P energy: -37.463
bonds (distance) P-C4' energy: -33.543
flat angles C4'-P-C4' energy: -39.576
flat angles P-C4'-P energy: -32.767
tors. eta vs tors. theta energy: -36.141
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: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -378.247224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.247224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.247224 (E_RNA)
where:
Base-Base interactions energy: -218.704
where: short stacking energy: -126.292
Base-Backbone interact. energy: -0.852
local terms energy: -158.691699
where:
bonds (distance) C4'-P energy: -35.129
bonds (distance) P-C4' energy: -41.773
flat angles C4'-P-C4' energy: -40.176
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -21.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -339.175352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.175352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.175352 (E_RNA)
where:
Base-Base interactions energy: -202.157
where: short stacking energy: -107.012
Base-Backbone interact. energy: 4.083
local terms energy: -141.101681
where:
bonds (distance) C4'-P energy: -40.485
bonds (distance) P-C4' energy: -42.024
flat angles C4'-P-C4' energy: -31.205
flat angles P-C4'-P energy: -24.342
tors. eta vs tors. theta energy: -3.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -282.347240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.347240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.347240 (E_RNA)
where:
Base-Base interactions energy: -129.060
where: short stacking energy: -83.023
Base-Backbone interact. energy: -0.327
local terms energy: -152.960227
where:
bonds (distance) C4'-P energy: -46.272
bonds (distance) P-C4' energy: -37.445
flat angles C4'-P-C4' energy: -32.060
flat angles P-C4'-P energy: -28.614
tors. eta vs tors. theta energy: -8.570
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: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -274.349860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.349860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.349860 (E_RNA)
where:
Base-Base interactions energy: -122.031
where: short stacking energy: -73.954
Base-Backbone interact. energy: 2.520
local terms energy: -154.838740
where:
bonds (distance) C4'-P energy: -37.267
bonds (distance) P-C4' energy: -44.839
flat angles C4'-P-C4' energy: -33.482
flat angles P-C4'-P energy: -25.899
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -698.693625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.693625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.693625 (E_RNA)
where:
Base-Base interactions energy: -470.494
where: short stacking energy: -222.780
Base-Backbone interact. energy: 0.668
local terms energy: -228.867830
where:
bonds (distance) C4'-P energy: -48.129
bonds (distance) P-C4' energy: -40.784
flat angles C4'-P-C4' energy: -51.320
flat angles P-C4'-P energy: -33.365
tors. eta vs tors. theta energy: -55.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -719.989092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.989092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.989092 (E_RNA)
where:
Base-Base interactions energy: -498.061
where: short stacking energy: -195.386
Base-Backbone interact. energy: -1.028
local terms energy: -220.900071
where:
bonds (distance) C4'-P energy: -48.946
bonds (distance) P-C4' energy: -50.177
flat angles C4'-P-C4' energy: -42.682
flat angles P-C4'-P energy: -35.824
tors. eta vs tors. theta energy: -43.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -647.746085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.746085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.746085 (E_RNA)
where:
Base-Base interactions energy: -441.051
where: short stacking energy: -185.172
Base-Backbone interact. energy: -0.982
local terms energy: -205.712932
where:
bonds (distance) C4'-P energy: -48.654
bonds (distance) P-C4' energy: -44.659
flat angles C4'-P-C4' energy: -47.292
flat angles P-C4'-P energy: -31.779
tors. eta vs tors. theta energy: -33.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -634.750503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.750503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.750503 (E_RNA)
where:
Base-Base interactions energy: -430.621
where: short stacking energy: -188.815
Base-Backbone interact. energy: -1.791
local terms energy: -202.338382
where:
bonds (distance) C4'-P energy: -38.263
bonds (distance) P-C4' energy: -40.340
flat angles C4'-P-C4' energy: -47.708
flat angles P-C4'-P energy: -32.084
tors. eta vs tors. theta energy: -43.944
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: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -546.553007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.553007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.553007 (E_RNA)
where:
Base-Base interactions energy: -353.763
where: short stacking energy: -172.452
Base-Backbone interact. energy: 0.800
local terms energy: -193.590670
where:
bonds (distance) C4'-P energy: -47.288
bonds (distance) P-C4' energy: -41.512
flat angles C4'-P-C4' energy: -42.877
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -44.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -502.830989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.830989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.830989 (E_RNA)
where:
Base-Base interactions energy: -304.537
where: short stacking energy: -167.984
Base-Backbone interact. energy: -1.159
local terms energy: -197.135385
where:
bonds (distance) C4'-P energy: -40.124
bonds (distance) P-C4' energy: -47.801
flat angles C4'-P-C4' energy: -44.827
flat angles P-C4'-P energy: -21.002
tors. eta vs tors. theta energy: -43.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -422.460035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.460035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.460035 (E_RNA)
where:
Base-Base interactions energy: -245.603
where: short stacking energy: -118.960
Base-Backbone interact. energy: 3.626
local terms energy: -180.482193
where:
bonds (distance) C4'-P energy: -32.513
bonds (distance) P-C4' energy: -50.948
flat angles C4'-P-C4' energy: -45.870
flat angles P-C4'-P energy: -30.223
tors. eta vs tors. theta energy: -20.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -368.410924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.410924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.410924 (E_RNA)
where:
Base-Base interactions energy: -203.847
where: short stacking energy: -103.425
Base-Backbone interact. energy: -2.329
local terms energy: -162.234412
where:
bonds (distance) C4'-P energy: -46.764
bonds (distance) P-C4' energy: -41.582
flat angles C4'-P-C4' energy: -32.869
flat angles P-C4'-P energy: -32.099
tors. eta vs tors. theta energy: -8.921
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: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -297.569617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.569617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.569617 (E_RNA)
where:
Base-Base interactions energy: -150.959
where: short stacking energy: -101.079
Base-Backbone interact. energy: 0.094
local terms energy: -146.705345
where:
bonds (distance) C4'-P energy: -43.617
bonds (distance) P-C4' energy: -41.166
flat angles C4'-P-C4' energy: -27.096
flat angles P-C4'-P energy: -16.562
tors. eta vs tors. theta energy: -18.266
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: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -263.010082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.010082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.010082 (E_RNA)
where:
Base-Base interactions energy: -117.056
where: short stacking energy: -72.516
Base-Backbone interact. energy: 0.647
local terms energy: -146.600460
where:
bonds (distance) C4'-P energy: -43.888
bonds (distance) P-C4' energy: -38.962
flat angles C4'-P-C4' energy: -34.664
flat angles P-C4'-P energy: -26.511
tors. eta vs tors. theta energy: -2.575
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: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -703.378274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.378274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.378274 (E_RNA)
where:
Base-Base interactions energy: -484.371
where: short stacking energy: -202.776
Base-Backbone interact. energy: -3.941
local terms energy: -215.066036
where:
bonds (distance) C4'-P energy: -46.586
bonds (distance) P-C4' energy: -46.736
flat angles C4'-P-C4' energy: -42.182
flat angles P-C4'-P energy: -30.951
tors. eta vs tors. theta energy: -48.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -713.147886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.147886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.147886 (E_RNA)
where:
Base-Base interactions energy: -496.794
where: short stacking energy: -204.535
Base-Backbone interact. energy: 0.902
local terms energy: -217.255312
where:
bonds (distance) C4'-P energy: -44.789
bonds (distance) P-C4' energy: -41.551
flat angles C4'-P-C4' energy: -46.115
flat angles P-C4'-P energy: -35.231
tors. eta vs tors. theta energy: -49.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -652.897303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.897303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.897303 (E_RNA)
where:
Base-Base interactions energy: -426.245
where: short stacking energy: -193.202
Base-Backbone interact. energy: -0.833
local terms energy: -225.818637
where:
bonds (distance) C4'-P energy: -48.019
bonds (distance) P-C4' energy: -48.293
flat angles C4'-P-C4' energy: -51.016
flat angles P-C4'-P energy: -31.552
tors. eta vs tors. theta energy: -46.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -636.801129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.801129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.801129 (E_RNA)
where:
Base-Base interactions energy: -427.949
where: short stacking energy: -182.151
Base-Backbone interact. energy: -1.673
local terms energy: -207.179121
where:
bonds (distance) C4'-P energy: -44.520
bonds (distance) P-C4' energy: -41.451
flat angles C4'-P-C4' energy: -36.919
flat angles P-C4'-P energy: -36.003
tors. eta vs tors. theta energy: -48.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -576.942119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.942119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.942119 (E_RNA)
where:
Base-Base interactions energy: -372.117
where: short stacking energy: -174.136
Base-Backbone interact. energy: -0.154
local terms energy: -204.670417
where:
bonds (distance) C4'-P energy: -39.820
bonds (distance) P-C4' energy: -49.492
flat angles C4'-P-C4' energy: -44.899
flat angles P-C4'-P energy: -34.710
tors. eta vs tors. theta energy: -35.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -450.971873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.971873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.971873 (E_RNA)
where:
Base-Base interactions energy: -298.136
where: short stacking energy: -136.914
Base-Backbone interact. energy: -0.315
local terms energy: -152.520271
where:
bonds (distance) C4'-P energy: -43.000
bonds (distance) P-C4' energy: -41.634
flat angles C4'-P-C4' energy: -29.193
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: -20.556
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: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -436.120922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.120922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.120922 (E_RNA)
where:
Base-Base interactions energy: -249.148
where: short stacking energy: -118.229
Base-Backbone interact. energy: -0.290
local terms energy: -186.683079
where:
bonds (distance) C4'-P energy: -38.589
bonds (distance) P-C4' energy: -41.948
flat angles C4'-P-C4' energy: -48.791
flat angles P-C4'-P energy: -33.114
tors. eta vs tors. theta energy: -24.242
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: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -329.373583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.373583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.373583 (E_RNA)
where:
Base-Base interactions energy: -181.214
where: short stacking energy: -119.404
Base-Backbone interact. energy: 3.565
local terms energy: -151.724337
where:
bonds (distance) C4'-P energy: -41.491
bonds (distance) P-C4' energy: -32.246
flat angles C4'-P-C4' energy: -41.090
flat angles P-C4'-P energy: -22.752
tors. eta vs tors. theta energy: -14.145
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: 4
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -332.327971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.327971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.327971 (E_RNA)
where:
Base-Base interactions energy: -184.194
where: short stacking energy: -80.844
Base-Backbone interact. energy: 1.383
local terms energy: -149.517508
where:
bonds (distance) C4'-P energy: -30.949
bonds (distance) P-C4' energy: -54.714
flat angles C4'-P-C4' energy: -38.338
flat angles P-C4'-P energy: -22.096
tors. eta vs tors. theta energy: -3.420
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: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -288.360812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.360812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.360812 (E_RNA)
where:
Base-Base interactions energy: -149.562
where: short stacking energy: -73.177
Base-Backbone interact. energy: 1.269
local terms energy: -140.067779
where:
bonds (distance) C4'-P energy: -42.487
bonds (distance) P-C4' energy: -47.597
flat angles C4'-P-C4' energy: -28.782
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -736.305381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.305381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.305381 (E_RNA)
where:
Base-Base interactions energy: -501.871
where: short stacking energy: -231.956
Base-Backbone interact. energy: -0.495
local terms energy: -233.939659
where:
bonds (distance) C4'-P energy: -41.753
bonds (distance) P-C4' energy: -44.140
flat angles C4'-P-C4' energy: -50.836
flat angles P-C4'-P energy: -33.157
tors. eta vs tors. theta energy: -64.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -702.463118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.463118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.463118 (E_RNA)
where:
Base-Base interactions energy: -471.059
where: short stacking energy: -203.936
Base-Backbone interact. energy: -2.842
local terms energy: -228.562282
where:
bonds (distance) C4'-P energy: -46.450
bonds (distance) P-C4' energy: -51.885
flat angles C4'-P-C4' energy: -51.106
flat angles P-C4'-P energy: -26.330
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: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -675.814664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.814664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.814664 (E_RNA)
where:
Base-Base interactions energy: -460.239
where: short stacking energy: -204.948
Base-Backbone interact. energy: -0.835
local terms energy: -214.740012
where:
bonds (distance) C4'-P energy: -43.365
bonds (distance) P-C4' energy: -44.246
flat angles C4'-P-C4' energy: -45.356
flat angles P-C4'-P energy: -33.163
tors. eta vs tors. theta energy: -48.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -653.541136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.541136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.541136 (E_RNA)
where:
Base-Base interactions energy: -423.167
where: short stacking energy: -189.785
Base-Backbone interact. energy: -1.622
local terms energy: -228.751981
where:
bonds (distance) C4'-P energy: -46.383
bonds (distance) P-C4' energy: -50.420
flat angles C4'-P-C4' energy: -42.932
flat angles P-C4'-P energy: -35.034
tors. eta vs tors. theta energy: -53.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -597.998351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.998351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.998351 (E_RNA)
where:
Base-Base interactions energy: -389.204
where: short stacking energy: -189.493
Base-Backbone interact. energy: -0.762
local terms energy: -208.032271
where:
bonds (distance) C4'-P energy: -46.253
bonds (distance) P-C4' energy: -43.471
flat angles C4'-P-C4' energy: -54.315
flat angles P-C4'-P energy: -10.842
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: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -438.480958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.480958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.480958 (E_RNA)
where:
Base-Base interactions energy: -284.051
where: short stacking energy: -147.440
Base-Backbone interact. energy: -1.175
local terms energy: -153.254892
where:
bonds (distance) C4'-P energy: -25.698
bonds (distance) P-C4' energy: -36.213
flat angles C4'-P-C4' energy: -42.022
flat angles P-C4'-P energy: -25.236
tors. eta vs tors. theta energy: -24.086
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: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -436.506106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.506106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.506106 (E_RNA)
where:
Base-Base interactions energy: -252.618
where: short stacking energy: -131.833
Base-Backbone interact. energy: -3.298
local terms energy: -180.590124
where:
bonds (distance) C4'-P energy: -48.899
bonds (distance) P-C4' energy: -38.548
flat angles C4'-P-C4' energy: -42.900
flat angles P-C4'-P energy: -21.371
tors. eta vs tors. theta energy: -28.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -319.037995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.037995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.037995 (E_RNA)
where:
Base-Base interactions energy: -158.555
where: short stacking energy: -89.638
Base-Backbone interact. energy: -0.579
local terms energy: -159.904957
where:
bonds (distance) C4'-P energy: -43.258
bonds (distance) P-C4' energy: -38.179
flat angles C4'-P-C4' energy: -42.524
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -12.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -363.609397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.609397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.609397 (E_RNA)
where:
Base-Base interactions energy: -202.814
where: short stacking energy: -97.060
Base-Backbone interact. energy: -1.491
local terms energy: -159.304597
where:
bonds (distance) C4'-P energy: -42.550
bonds (distance) P-C4' energy: -37.989
flat angles C4'-P-C4' energy: -40.468
flat angles P-C4'-P energy: -24.897
tors. eta vs tors. theta energy: -13.400
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: 4
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -325.878736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.878736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.878736 (E_RNA)
where:
Base-Base interactions energy: -200.655
where: short stacking energy: -91.838
Base-Backbone interact. energy: 2.959
local terms energy: -128.182898
where:
bonds (distance) C4'-P energy: -35.843
bonds (distance) P-C4' energy: -45.284
flat angles C4'-P-C4' energy: -38.152
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: 5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -733.767709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.767709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.767709 (E_RNA)
where:
Base-Base interactions energy: -516.815
where: short stacking energy: -224.604
Base-Backbone interact. energy: -0.720
local terms energy: -216.233285
where:
bonds (distance) C4'-P energy: -37.398
bonds (distance) P-C4' energy: -43.190
flat angles C4'-P-C4' energy: -50.098
flat angles P-C4'-P energy: -26.646
tors. eta vs tors. theta energy: -58.901
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: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -709.399493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.399493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.399493 (E_RNA)
where:
Base-Base interactions energy: -477.793
where: short stacking energy: -203.616
Base-Backbone interact. energy: -2.290
local terms energy: -229.316176
where:
bonds (distance) C4'-P energy: -39.321
bonds (distance) P-C4' energy: -50.346
flat angles C4'-P-C4' energy: -45.620
flat angles P-C4'-P energy: -37.753
tors. eta vs tors. theta energy: -56.276
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: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -672.716190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.716190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.716190 (E_RNA)
where:
Base-Base interactions energy: -444.285
where: short stacking energy: -191.386
Base-Backbone interact. energy: -2.122
local terms energy: -226.309602
where:
bonds (distance) C4'-P energy: -41.156
bonds (distance) P-C4' energy: -46.092
flat angles C4'-P-C4' energy: -54.269
flat angles P-C4'-P energy: -32.475
tors. eta vs tors. theta energy: -52.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -652.506112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.506112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.506112 (E_RNA)
where:
Base-Base interactions energy: -429.905
where: short stacking energy: -193.438
Base-Backbone interact. energy: -0.852
local terms energy: -221.749148
where:
bonds (distance) C4'-P energy: -47.588
bonds (distance) P-C4' energy: -48.553
flat angles C4'-P-C4' energy: -46.094
flat angles P-C4'-P energy: -21.962
tors. eta vs tors. theta energy: -57.553
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: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -631.866348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.866348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.866348 (E_RNA)
where:
Base-Base interactions energy: -424.748
where: short stacking energy: -189.476
Base-Backbone interact. energy: 0.195
local terms energy: -207.313336
where:
bonds (distance) C4'-P energy: -38.634
bonds (distance) P-C4' energy: -47.010
flat angles C4'-P-C4' energy: -53.031
flat angles P-C4'-P energy: -26.206
tors. eta vs tors. theta energy: -42.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -441.590953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.590953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.590953 (E_RNA)
where:
Base-Base interactions energy: -274.078
where: short stacking energy: -121.824
Base-Backbone interact. energy: -0.936
local terms energy: -166.576475
where:
bonds (distance) C4'-P energy: -40.986
bonds (distance) P-C4' energy: -46.478
flat angles C4'-P-C4' energy: -40.075
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: -14.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -441.619670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.619670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.619670 (E_RNA)
where:
Base-Base interactions energy: -270.016
where: short stacking energy: -143.515
Base-Backbone interact. energy: 0.441
local terms energy: -172.045019
where:
bonds (distance) C4'-P energy: -40.517
bonds (distance) P-C4' energy: -37.488
flat angles C4'-P-C4' energy: -38.467
flat angles P-C4'-P energy: -31.192
tors. eta vs tors. theta energy: -24.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -375.344659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.344659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.344659 (E_RNA)
where:
Base-Base interactions energy: -221.156
where: short stacking energy: -116.853
Base-Backbone interact. energy: -2.284
local terms energy: -151.904115
where:
bonds (distance) C4'-P energy: -38.705
bonds (distance) P-C4' energy: -37.294
flat angles C4'-P-C4' energy: -36.185
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: -16.386
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: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -286.090581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.090581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.090581 (E_RNA)
where:
Base-Base interactions energy: -156.325
where: short stacking energy: -95.850
Base-Backbone interact. energy: -0.090
local terms energy: -129.675143
where:
bonds (distance) C4'-P energy: -32.593
bonds (distance) P-C4' energy: -27.305
flat angles C4'-P-C4' energy: -42.080
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: -7.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -337.376392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.376392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.376392 (E_RNA)
where:
Base-Base interactions energy: -205.901
where: short stacking energy: -81.564
Base-Backbone interact. energy: -1.196
local terms energy: -130.279614
where:
bonds (distance) C4'-P energy: -36.217
bonds (distance) P-C4' energy: -38.663
flat angles C4'-P-C4' energy: -26.684
flat angles P-C4'-P energy: -29.279
tors. eta vs tors. theta energy: 0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -721.046939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.046939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.046939 (E_RNA)
where:
Base-Base interactions energy: -479.765
where: short stacking energy: -207.757
Base-Backbone interact. energy: -0.987
local terms energy: -240.294207
where:
bonds (distance) C4'-P energy: -45.579
bonds (distance) P-C4' energy: -50.168
flat angles C4'-P-C4' energy: -58.062
flat angles P-C4'-P energy: -35.036
tors. eta vs tors. theta energy: -51.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -702.530477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.530477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.530477 (E_RNA)
where:
Base-Base interactions energy: -487.156
where: short stacking energy: -197.684
Base-Backbone interact. energy: -1.767
local terms energy: -213.607264
where:
bonds (distance) C4'-P energy: -42.268
bonds (distance) P-C4' energy: -42.178
flat angles C4'-P-C4' energy: -45.525
flat angles P-C4'-P energy: -31.347
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: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -713.727174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.727174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.727174 (E_RNA)
where:
Base-Base interactions energy: -488.110
where: short stacking energy: -193.594
Base-Backbone interact. energy: 0.497
local terms energy: -226.113836
where:
bonds (distance) C4'-P energy: -54.245
bonds (distance) P-C4' energy: -43.326
flat angles C4'-P-C4' energy: -45.181
flat angles P-C4'-P energy: -35.279
tors. eta vs tors. theta energy: -48.082
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: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -651.591460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.591460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.591460 (E_RNA)
where:
Base-Base interactions energy: -436.510
where: short stacking energy: -199.987
Base-Backbone interact. energy: -0.003
local terms energy: -215.079090
where:
bonds (distance) C4'-P energy: -44.245
bonds (distance) P-C4' energy: -44.979
flat angles C4'-P-C4' energy: -45.611
flat angles P-C4'-P energy: -27.230
tors. eta vs tors. theta energy: -53.013
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: 18
Temperature: 1.100000
Total energy: -650.291919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.291919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.291919 (E_RNA)
where:
Base-Base interactions energy: -439.214
where: short stacking energy: -194.403
Base-Backbone interact. energy: -0.499
local terms energy: -210.579642
where:
bonds (distance) C4'-P energy: -44.278
bonds (distance) P-C4' energy: -36.891
flat angles C4'-P-C4' energy: -49.873
flat angles P-C4'-P energy: -28.946
tors. eta vs tors. theta energy: -50.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -467.060569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.060569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.060569 (E_RNA)
where:
Base-Base interactions energy: -278.073
where: short stacking energy: -145.534
Base-Backbone interact. energy: -2.175
local terms energy: -186.813474
where:
bonds (distance) C4'-P energy: -41.712
bonds (distance) P-C4' energy: -36.882
flat angles C4'-P-C4' energy: -49.430
flat angles P-C4'-P energy: -29.293
tors. eta vs tors. theta energy: -29.497
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: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -408.878436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.878436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.878436 (E_RNA)
where:
Base-Base interactions energy: -243.766
where: short stacking energy: -124.052
Base-Backbone interact. energy: -1.203
local terms energy: -163.908905
where:
bonds (distance) C4'-P energy: -35.556
bonds (distance) P-C4' energy: -42.183
flat angles C4'-P-C4' energy: -47.943
flat angles P-C4'-P energy: -18.055
tors. eta vs tors. theta energy: -20.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -406.290463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.290463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.290463 (E_RNA)
where:
Base-Base interactions energy: -247.069
where: short stacking energy: -117.950
Base-Backbone interact. energy: -1.390
local terms energy: -157.832111
where:
bonds (distance) C4'-P energy: -38.030
bonds (distance) P-C4' energy: -31.749
flat angles C4'-P-C4' energy: -42.837
flat angles P-C4'-P energy: -18.739
tors. eta vs tors. theta energy: -26.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -388.183629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.183629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.183629 (E_RNA)
where:
Base-Base interactions energy: -227.722
where: short stacking energy: -110.723
Base-Backbone interact. energy: -1.238
local terms energy: -159.223725
where:
bonds (distance) C4'-P energy: -42.929
bonds (distance) P-C4' energy: -41.932
flat angles C4'-P-C4' energy: -29.772
flat angles P-C4'-P energy: -25.240
tors. eta vs tors. theta energy: -19.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -215.342086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.342086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.342086 (E_RNA)
where:
Base-Base interactions energy: -90.604
where: short stacking energy: -81.077
Base-Backbone interact. energy: -0.605
local terms energy: -124.132485
where:
bonds (distance) C4'-P energy: -43.610
bonds (distance) P-C4' energy: -33.312
flat angles C4'-P-C4' energy: -29.884
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: 1.848
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: 8
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -736.137857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.137857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.137857 (E_RNA)
where:
Base-Base interactions energy: -499.567
where: short stacking energy: -201.982
Base-Backbone interact. energy: -0.367
local terms energy: -236.204385
where:
bonds (distance) C4'-P energy: -40.352
bonds (distance) P-C4' energy: -44.255
flat angles C4'-P-C4' energy: -58.871
flat angles P-C4'-P energy: -34.698
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: 2, replica: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -710.815251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.815251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.815251 (E_RNA)
where:
Base-Base interactions energy: -481.862
where: short stacking energy: -210.729
Base-Backbone interact. energy: -1.155
local terms energy: -227.798626
where:
bonds (distance) C4'-P energy: -35.192
bonds (distance) P-C4' energy: -47.891
flat angles C4'-P-C4' energy: -50.548
flat angles P-C4'-P energy: -40.327
tors. eta vs tors. theta energy: -53.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -687.613519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.613519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.613519 (E_RNA)
where:
Base-Base interactions energy: -479.609
where: short stacking energy: -202.099
Base-Backbone interact. energy: -1.931
local terms energy: -206.073689
where:
bonds (distance) C4'-P energy: -40.012
bonds (distance) P-C4' energy: -38.844
flat angles C4'-P-C4' energy: -45.392
flat angles P-C4'-P energy: -29.298
tors. eta vs tors. theta energy: -52.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -682.566394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.566394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.566394 (E_RNA)
where:
Base-Base interactions energy: -458.847
where: short stacking energy: -202.981
Base-Backbone interact. energy: 0.190
local terms energy: -223.909430
where:
bonds (distance) C4'-P energy: -42.751
bonds (distance) P-C4' energy: -47.725
flat angles C4'-P-C4' energy: -49.658
flat angles P-C4'-P energy: -30.454
tors. eta vs tors. theta energy: -53.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -595.099587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.099587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.099587 (E_RNA)
where:
Base-Base interactions energy: -392.598
where: short stacking energy: -164.892
Base-Backbone interact. energy: -2.771
local terms energy: -199.731479
where:
bonds (distance) C4'-P energy: -42.322
bonds (distance) P-C4' energy: -51.449
flat angles C4'-P-C4' energy: -38.184
flat angles P-C4'-P energy: -24.419
tors. eta vs tors. theta energy: -43.358
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: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -494.592568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.592568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.592568 (E_RNA)
where:
Base-Base interactions energy: -303.677
where: short stacking energy: -150.502
Base-Backbone interact. energy: 1.234
local terms energy: -192.150028
where:
bonds (distance) C4'-P energy: -40.284
bonds (distance) P-C4' energy: -51.777
flat angles C4'-P-C4' energy: -43.147
flat angles P-C4'-P energy: -25.952
tors. eta vs tors. theta energy: -30.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -403.511576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.511576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.511576 (E_RNA)
where:
Base-Base interactions energy: -219.012
where: short stacking energy: -122.881
Base-Backbone interact. energy: -0.661
local terms energy: -183.838362
where:
bonds (distance) C4'-P energy: -43.060
bonds (distance) P-C4' energy: -52.204
flat angles C4'-P-C4' energy: -37.180
flat angles P-C4'-P energy: -28.643
tors. eta vs tors. theta energy: -22.752
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: 5
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -365.527053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.527053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.527053 (E_RNA)
where:
Base-Base interactions energy: -213.099
where: short stacking energy: -121.599
Base-Backbone interact. energy: -0.946
local terms energy: -151.482268
where:
bonds (distance) C4'-P energy: -36.433
bonds (distance) P-C4' energy: -29.555
flat angles C4'-P-C4' energy: -36.882
flat angles P-C4'-P energy: -31.183
tors. eta vs tors. theta energy: -17.429
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: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -388.271532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.271532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.271532 (E_RNA)
where:
Base-Base interactions energy: -236.662
where: short stacking energy: -112.805
Base-Backbone interact. energy: -0.297
local terms energy: -151.313345
where:
bonds (distance) C4'-P energy: -38.911
bonds (distance) P-C4' energy: -35.260
flat angles C4'-P-C4' energy: -46.981
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -237.930796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.930796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.930796 (E_RNA)
where:
Base-Base interactions energy: -120.990
where: short stacking energy: -66.941
Base-Backbone interact. energy: 1.804
local terms energy: -118.745167
where:
bonds (distance) C4'-P energy: -35.993
bonds (distance) P-C4' energy: -41.568
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -2.941
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: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -731.700823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.700823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.700823 (E_RNA)
where:
Base-Base interactions energy: -514.227
where: short stacking energy: -197.831
Base-Backbone interact. energy: -0.851
local terms energy: -216.623236
where:
bonds (distance) C4'-P energy: -44.599
bonds (distance) P-C4' energy: -44.942
flat angles C4'-P-C4' energy: -48.532
flat angles P-C4'-P energy: -30.290
tors. eta vs tors. theta energy: -48.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -713.432054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.432054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.432054 (E_RNA)
where:
Base-Base interactions energy: -498.414
where: short stacking energy: -203.358
Base-Backbone interact. energy: 0.606
local terms energy: -215.624526
where:
bonds (distance) C4'-P energy: -39.710
bonds (distance) P-C4' energy: -42.711
flat angles C4'-P-C4' energy: -53.239
flat angles P-C4'-P energy: -32.322
tors. eta vs tors. theta energy: -47.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -681.546196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.546196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.546196 (E_RNA)
where:
Base-Base interactions energy: -472.805
where: short stacking energy: -190.755
Base-Backbone interact. energy: -3.044
local terms energy: -205.697946
where:
bonds (distance) C4'-P energy: -37.556
bonds (distance) P-C4' energy: -51.372
flat angles C4'-P-C4' energy: -43.697
flat angles P-C4'-P energy: -27.029
tors. eta vs tors. theta energy: -46.044
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: 20
Temperature: 1.050000
Total energy: -684.558867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.558867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.558867 (E_RNA)
where:
Base-Base interactions energy: -477.534
where: short stacking energy: -196.155
Base-Backbone interact. energy: -1.767
local terms energy: -205.257334
where:
bonds (distance) C4'-P energy: -37.689
bonds (distance) P-C4' energy: -46.037
flat angles C4'-P-C4' energy: -46.326
flat angles P-C4'-P energy: -29.954
tors. eta vs tors. theta energy: -45.251
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: 5, replica: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -605.949934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.949934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.949934 (E_RNA)
where:
Base-Base interactions energy: -400.538
where: short stacking energy: -167.922
Base-Backbone interact. energy: 0.489
local terms energy: -205.900607
where:
bonds (distance) C4'-P energy: -44.425
bonds (distance) P-C4' energy: -37.548
flat angles C4'-P-C4' energy: -46.626
flat angles P-C4'-P energy: -32.836
tors. eta vs tors. theta energy: -44.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -504.266253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.266253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.266253 (E_RNA)
where:
Base-Base interactions energy: -332.148
where: short stacking energy: -162.177
Base-Backbone interact. energy: -0.565
local terms energy: -171.552916
where:
bonds (distance) C4'-P energy: -38.724
bonds (distance) P-C4' energy: -39.321
flat angles C4'-P-C4' energy: -41.743
flat angles P-C4'-P energy: -21.474
tors. eta vs tors. theta energy: -30.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -389.792067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.792067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.792067 (E_RNA)
where:
Base-Base interactions energy: -221.191
where: short stacking energy: -124.477
Base-Backbone interact. energy: -2.014
local terms energy: -166.586599
where:
bonds (distance) C4'-P energy: -39.905
bonds (distance) P-C4' energy: -42.313
flat angles C4'-P-C4' energy: -30.926
flat angles P-C4'-P energy: -36.502
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -392.753067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.753067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.753067 (E_RNA)
where:
Base-Base interactions energy: -228.119
where: short stacking energy: -124.299
Base-Backbone interact. energy: 0.505
local terms energy: -165.138727
where:
bonds (distance) C4'-P energy: -43.518
bonds (distance) P-C4' energy: -35.082
flat angles C4'-P-C4' energy: -47.411
flat angles P-C4'-P energy: -24.295
tors. eta vs tors. theta energy: -14.832
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: 9, replica: 4
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -343.104760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.104760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.104760 (E_RNA)
where:
Base-Base interactions energy: -208.769
where: short stacking energy: -106.882
Base-Backbone interact. energy: -0.860
local terms energy: -133.475620
where:
bonds (distance) C4'-P energy: -34.647
bonds (distance) P-C4' energy: -43.289
flat angles C4'-P-C4' energy: -25.263
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -324.418706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.418706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.418706 (E_RNA)
where:
Base-Base interactions energy: -180.024
where: short stacking energy: -98.796
Base-Backbone interact. energy: -0.268
local terms energy: -144.127511
where:
bonds (distance) C4'-P energy: -33.018
bonds (distance) P-C4' energy: -43.987
flat angles C4'-P-C4' energy: -31.213
flat angles P-C4'-P energy: -24.197
tors. eta vs tors. theta energy: -11.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -725.109440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.109440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.109440 (E_RNA)
where:
Base-Base interactions energy: -487.595
where: short stacking energy: -207.141
Base-Backbone interact. energy: -1.717
local terms energy: -235.798006
where:
bonds (distance) C4'-P energy: -45.148
bonds (distance) P-C4' energy: -49.680
flat angles C4'-P-C4' energy: -45.276
flat angles P-C4'-P energy: -38.236
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: 8
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -726.846311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.846311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.846311 (E_RNA)
where:
Base-Base interactions energy: -498.174
where: short stacking energy: -212.657
Base-Backbone interact. energy: -0.493
local terms energy: -228.179217
where:
bonds (distance) C4'-P energy: -44.264
bonds (distance) P-C4' energy: -45.298
flat angles C4'-P-C4' energy: -50.304
flat angles P-C4'-P energy: -35.261
tors. eta vs tors. theta energy: -53.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -654.135162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.135162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.135162 (E_RNA)
where:
Base-Base interactions energy: -451.702
where: short stacking energy: -193.513
Base-Backbone interact. energy: -0.942
local terms energy: -201.491121
where:
bonds (distance) C4'-P energy: -35.118
bonds (distance) P-C4' energy: -37.998
flat angles C4'-P-C4' energy: -47.314
flat angles P-C4'-P energy: -30.762
tors. eta vs tors. theta energy: -50.299
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: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -687.459060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.459060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.459060 (E_RNA)
where:
Base-Base interactions energy: -474.303
where: short stacking energy: -192.906
Base-Backbone interact. energy: -0.905
local terms energy: -212.250986
where:
bonds (distance) C4'-P energy: -51.852
bonds (distance) P-C4' energy: -41.251
flat angles C4'-P-C4' energy: -46.709
flat angles P-C4'-P energy: -28.184
tors. eta vs tors. theta energy: -44.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -627.300601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.300601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.300601 (E_RNA)
where:
Base-Base interactions energy: -422.930
where: short stacking energy: -190.489
Base-Backbone interact. energy: -0.800
local terms energy: -203.570581
where:
bonds (distance) C4'-P energy: -46.186
bonds (distance) P-C4' energy: -37.045
flat angles C4'-P-C4' energy: -45.242
flat angles P-C4'-P energy: -29.314
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: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -486.388537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.388537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.388537 (E_RNA)
where:
Base-Base interactions energy: -305.590
where: short stacking energy: -171.036
Base-Backbone interact. energy: 1.758
local terms energy: -182.556544
where:
bonds (distance) C4'-P energy: -42.686
bonds (distance) P-C4' energy: -44.562
flat angles C4'-P-C4' energy: -33.352
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: -42.485
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: 5
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -399.052406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.052406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.052406 (E_RNA)
where:
Base-Base interactions energy: -223.547
where: short stacking energy: -124.602
Base-Backbone interact. energy: 1.052
local terms energy: -176.557848
where:
bonds (distance) C4'-P energy: -36.721
bonds (distance) P-C4' energy: -41.939
flat angles C4'-P-C4' energy: -45.156
flat angles P-C4'-P energy: -26.210
tors. eta vs tors. theta energy: -26.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -414.936114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.936114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.936114 (E_RNA)
where:
Base-Base interactions energy: -278.073
where: short stacking energy: -115.418
Base-Backbone interact. energy: -0.607
local terms energy: -136.256462
where:
bonds (distance) C4'-P energy: -45.395
bonds (distance) P-C4' energy: -45.186
flat angles C4'-P-C4' energy: -26.417
flat angles P-C4'-P energy: -4.715
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -377.112779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.112779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.112779 (E_RNA)
where:
Base-Base interactions energy: -207.714
where: short stacking energy: -109.949
Base-Backbone interact. energy: -1.625
local terms energy: -167.774142
where:
bonds (distance) C4'-P energy: -45.341
bonds (distance) P-C4' energy: -46.225
flat angles C4'-P-C4' energy: -40.260
flat angles P-C4'-P energy: -29.682
tors. eta vs tors. theta energy: -6.266
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: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -283.758652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.758652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.758652 (E_RNA)
where:
Base-Base interactions energy: -136.648
where: short stacking energy: -71.483
Base-Backbone interact. energy: -1.385
local terms energy: -145.725213
where:
bonds (distance) C4'-P energy: -40.889
bonds (distance) P-C4' energy: -37.224
flat angles C4'-P-C4' energy: -35.477
flat angles P-C4'-P energy: -36.090
tors. eta vs tors. theta energy: 3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -739.758625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.758625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.758625 (E_RNA)
where:
Base-Base interactions energy: -511.881
where: short stacking energy: -207.734
Base-Backbone interact. energy: -0.181
local terms energy: -227.696306
where:
bonds (distance) C4'-P energy: -44.562
bonds (distance) P-C4' energy: -40.525
flat angles C4'-P-C4' energy: -53.971
flat angles P-C4'-P energy: -36.082
tors. eta vs tors. theta energy: -52.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -717.619411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.619411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.619411 (E_RNA)
where:
Base-Base interactions energy: -486.908
where: short stacking energy: -196.814
Base-Backbone interact. energy: -1.348
local terms energy: -229.363712
where:
bonds (distance) C4'-P energy: -42.408
bonds (distance) P-C4' energy: -45.873
flat angles C4'-P-C4' energy: -49.067
flat angles P-C4'-P energy: -32.538
tors. eta vs tors. theta energy: -59.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -702.522217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.522217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.522217 (E_RNA)
where:
Base-Base interactions energy: -491.917
where: short stacking energy: -211.121
Base-Backbone interact. energy: -0.460
local terms energy: -210.144781
where:
bonds (distance) C4'-P energy: -42.177
bonds (distance) P-C4' energy: -42.142
flat angles C4'-P-C4' energy: -39.716
flat angles P-C4'-P energy: -32.943
tors. eta vs tors. theta energy: -53.166
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: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -635.210350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.210350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.210350 (E_RNA)
where:
Base-Base interactions energy: -433.101
where: short stacking energy: -191.552
Base-Backbone interact. energy: -1.073
local terms energy: -201.035958
where:
bonds (distance) C4'-P energy: -43.112
bonds (distance) P-C4' energy: -44.130
flat angles C4'-P-C4' energy: -48.725
flat angles P-C4'-P energy: -20.456
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: 5, replica: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -605.014370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.014370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.014370 (E_RNA)
where:
Base-Base interactions energy: -385.512
where: short stacking energy: -181.476
Base-Backbone interact. energy: -0.398
local terms energy: -219.104423
where:
bonds (distance) C4'-P energy: -36.074
bonds (distance) P-C4' energy: -50.886
flat angles C4'-P-C4' energy: -46.688
flat angles P-C4'-P energy: -35.787
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: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -482.933793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.933793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.933793 (E_RNA)
where:
Base-Base interactions energy: -287.158
where: short stacking energy: -148.855
Base-Backbone interact. energy: -1.105
local terms energy: -194.671183
where:
bonds (distance) C4'-P energy: -48.969
bonds (distance) P-C4' energy: -49.909
flat angles C4'-P-C4' energy: -42.420
flat angles P-C4'-P energy: -26.973
tors. eta vs tors. theta energy: -26.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -465.582984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.582984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.582984 (E_RNA)
where:
Base-Base interactions energy: -305.275
where: short stacking energy: -142.660
Base-Backbone interact. energy: -0.058
local terms energy: -160.250260
where:
bonds (distance) C4'-P energy: -36.510
bonds (distance) P-C4' energy: -36.945
flat angles C4'-P-C4' energy: -41.457
flat angles P-C4'-P energy: -24.533
tors. eta vs tors. theta energy: -20.805
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: 5
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -425.512880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.512880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.512880 (E_RNA)
where:
Base-Base interactions energy: -229.646
where: short stacking energy: -113.975
Base-Backbone interact. energy: -2.856
local terms energy: -193.010984
where:
bonds (distance) C4'-P energy: -47.929
bonds (distance) P-C4' energy: -51.543
flat angles C4'-P-C4' energy: -36.780
flat angles P-C4'-P energy: -31.654
tors. eta vs tors. theta energy: -25.105
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: 22
Temperature: 1.300000
Total energy: -326.460568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.460568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.460568 (E_RNA)
where:
Base-Base interactions energy: -185.253
where: short stacking energy: -98.456
Base-Backbone interact. energy: -0.756
local terms energy: -140.451848
where:
bonds (distance) C4'-P energy: -36.095
bonds (distance) P-C4' energy: -38.586
flat angles C4'-P-C4' energy: -35.626
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -12.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -292.188591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.188591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.188591 (E_RNA)
where:
Base-Base interactions energy: -145.328
where: short stacking energy: -86.469
Base-Backbone interact. energy: 0.095
local terms energy: -146.955582
where:
bonds (distance) C4'-P energy: -38.530
bonds (distance) P-C4' energy: -41.812
flat angles C4'-P-C4' energy: -33.973
flat angles P-C4'-P energy: -25.278
tors. eta vs tors. theta energy: -7.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -751.414044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.414044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.414044 (E_RNA)
where:
Base-Base interactions energy: -509.057
where: short stacking energy: -199.771
Base-Backbone interact. energy: -1.137
local terms energy: -241.220548
where:
bonds (distance) C4'-P energy: -43.600
bonds (distance) P-C4' energy: -51.662
flat angles C4'-P-C4' energy: -50.667
flat angles P-C4'-P energy: -40.626
tors. eta vs tors. theta energy: -54.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -736.537247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.537247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.537247 (E_RNA)
where:
Base-Base interactions energy: -501.489
where: short stacking energy: -220.354
Base-Backbone interact. energy: -1.058
local terms energy: -233.990724
where:
bonds (distance) C4'-P energy: -46.205
bonds (distance) P-C4' energy: -45.357
flat angles C4'-P-C4' energy: -45.451
flat angles P-C4'-P energy: -36.524
tors. eta vs tors. theta energy: -60.453
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: 8
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -708.078387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.078387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.078387 (E_RNA)
where:
Base-Base interactions energy: -482.743
where: short stacking energy: -202.267
Base-Backbone interact. energy: -1.884
local terms energy: -223.450965
where:
bonds (distance) C4'-P energy: -37.312
bonds (distance) P-C4' energy: -51.139
flat angles C4'-P-C4' energy: -46.215
flat angles P-C4'-P energy: -35.171
tors. eta vs tors. theta energy: -53.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -648.501570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.501570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.501570 (E_RNA)
where:
Base-Base interactions energy: -436.381
where: short stacking energy: -199.888
Base-Backbone interact. energy: -0.788
local terms energy: -211.332090
where:
bonds (distance) C4'-P energy: -40.778
bonds (distance) P-C4' energy: -41.907
flat angles C4'-P-C4' energy: -46.597
flat angles P-C4'-P energy: -30.399
tors. eta vs tors. theta energy: -51.650
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: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -602.018420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.018420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.018420 (E_RNA)
where:
Base-Base interactions energy: -378.218
where: short stacking energy: -194.403
Base-Backbone interact. energy: -0.213
local terms energy: -223.587812
where:
bonds (distance) C4'-P energy: -49.574
bonds (distance) P-C4' energy: -49.351
flat angles C4'-P-C4' energy: -44.461
flat angles P-C4'-P energy: -28.008
tors. eta vs tors. theta energy: -52.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -471.633521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.633521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.633521 (E_RNA)
where:
Base-Base interactions energy: -277.251
where: short stacking energy: -134.232
Base-Backbone interact. energy: -2.263
local terms energy: -192.119248
where:
bonds (distance) C4'-P energy: -38.077
bonds (distance) P-C4' energy: -43.738
flat angles C4'-P-C4' energy: -47.020
flat angles P-C4'-P energy: -27.994
tors. eta vs tors. theta energy: -35.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -495.120669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.120669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.120669 (E_RNA)
where:
Base-Base interactions energy: -336.787
where: short stacking energy: -160.521
Base-Backbone interact. energy: 1.114
local terms energy: -159.447931
where:
bonds (distance) C4'-P energy: -35.232
bonds (distance) P-C4' energy: -30.609
flat angles C4'-P-C4' energy: -39.019
flat angles P-C4'-P energy: -25.728
tors. eta vs tors. theta energy: -28.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -382.187893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.187893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.187893 (E_RNA)
where:
Base-Base interactions energy: -212.267
where: short stacking energy: -112.964
Base-Backbone interact. energy: -0.775
local terms energy: -169.145691
where:
bonds (distance) C4'-P energy: -34.299
bonds (distance) P-C4' energy: -43.837
flat angles C4'-P-C4' energy: -36.307
flat angles P-C4'-P energy: -33.237
tors. eta vs tors. theta energy: -21.466
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: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -310.228206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.228206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.228206 (E_RNA)
where:
Base-Base interactions energy: -160.738
where: short stacking energy: -104.862
Base-Backbone interact. energy: -0.667
local terms energy: -148.823727
where:
bonds (distance) C4'-P energy: -32.331
bonds (distance) P-C4' energy: -41.903
flat angles C4'-P-C4' energy: -35.989
flat angles P-C4'-P energy: -28.125
tors. eta vs tors. theta energy: -10.476
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: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -248.840711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.840711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.840711 (E_RNA)
where:
Base-Base interactions energy: -115.345
where: short stacking energy: -73.706
Base-Backbone interact. energy: -0.248
local terms energy: -133.247299
where:
bonds (distance) C4'-P energy: -34.276
bonds (distance) P-C4' energy: -43.787
flat angles C4'-P-C4' energy: -34.913
flat angles P-C4'-P energy: -22.156
tors. eta vs tors. theta energy: 1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -745.768442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.768442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.768442 (E_RNA)
where:
Base-Base interactions energy: -515.152
where: short stacking energy: -212.948
Base-Backbone interact. energy: -2.866
local terms energy: -227.750106
where:
bonds (distance) C4'-P energy: -46.652
bonds (distance) P-C4' energy: -47.169
flat angles C4'-P-C4' energy: -49.950
flat angles P-C4'-P energy: -33.535
tors. eta vs tors. theta energy: -50.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -725.333843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.333843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.333843 (E_RNA)
where:
Base-Base interactions energy: -481.339
where: short stacking energy: -222.469
Base-Backbone interact. energy: -0.605
local terms energy: -243.390235
where:
bonds (distance) C4'-P energy: -48.166
bonds (distance) P-C4' energy: -47.595
flat angles C4'-P-C4' energy: -54.703
flat angles P-C4'-P energy: -35.963
tors. eta vs tors. theta energy: -56.962
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: 3, replica: 8
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -708.928824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.928824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.928824 (E_RNA)
where:
Base-Base interactions energy: -491.446
where: short stacking energy: -190.094
Base-Backbone interact. energy: -0.321
local terms energy: -217.162052
where:
bonds (distance) C4'-P energy: -38.801
bonds (distance) P-C4' energy: -48.003
flat angles C4'-P-C4' energy: -50.986
flat angles P-C4'-P energy: -34.028
tors. eta vs tors. theta energy: -45.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -637.579464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.579464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.579464 (E_RNA)
where:
Base-Base interactions energy: -418.205
where: short stacking energy: -181.012
Base-Backbone interact. energy: -1.761
local terms energy: -217.613068
where:
bonds (distance) C4'-P energy: -46.725
bonds (distance) P-C4' energy: -45.245
flat angles C4'-P-C4' energy: -45.753
flat angles P-C4'-P energy: -31.353
tors. eta vs tors. theta energy: -48.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -649.824849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.824849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.824849 (E_RNA)
where:
Base-Base interactions energy: -435.757
where: short stacking energy: -189.354
Base-Backbone interact. energy: 0.961
local terms energy: -215.028378
where:
bonds (distance) C4'-P energy: -53.291
bonds (distance) P-C4' energy: -45.232
flat angles C4'-P-C4' energy: -43.357
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -50.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -498.349039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.349039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.349039 (E_RNA)
where:
Base-Base interactions energy: -301.794
where: short stacking energy: -151.622
Base-Backbone interact. energy: 2.026
local terms energy: -198.580860
where:
bonds (distance) C4'-P energy: -43.820
bonds (distance) P-C4' energy: -49.376
flat angles C4'-P-C4' energy: -42.235
flat angles P-C4'-P energy: -26.359
tors. eta vs tors. theta energy: -36.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -484.783994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.783994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.783994 (E_RNA)
where:
Base-Base interactions energy: -303.331
where: short stacking energy: -136.483
Base-Backbone interact. energy: 0.466
local terms energy: -181.919097
where:
bonds (distance) C4'-P energy: -43.224
bonds (distance) P-C4' energy: -46.699
flat angles C4'-P-C4' energy: -46.704
flat angles P-C4'-P energy: -25.302
tors. eta vs tors. theta energy: -19.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -477.213839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.213839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.213839 (E_RNA)
where:
Base-Base interactions energy: -300.453
where: short stacking energy: -138.528
Base-Backbone interact. energy: 0.979
local terms energy: -177.739147
where:
bonds (distance) C4'-P energy: -47.703
bonds (distance) P-C4' energy: -42.340
flat angles C4'-P-C4' energy: -40.512
flat angles P-C4'-P energy: -25.199
tors. eta vs tors. theta energy: -21.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -318.372438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.372438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.372438 (E_RNA)
where:
Base-Base interactions energy: -163.161
where: short stacking energy: -87.854
Base-Backbone interact. energy: 0.261
local terms energy: -155.472110
where:
bonds (distance) C4'-P energy: -41.784
bonds (distance) P-C4' energy: -40.336
flat angles C4'-P-C4' energy: -43.089
flat angles P-C4'-P energy: -19.349
tors. eta vs tors. theta energy: -10.915
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: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -215.498310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.498310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.498310 (E_RNA)
where:
Base-Base interactions energy: -77.904
where: short stacking energy: -60.954
Base-Backbone interact. energy: -0.793
local terms energy: -136.801593
where:
bonds (distance) C4'-P energy: -45.101
bonds (distance) P-C4' energy: -38.733
flat angles C4'-P-C4' energy: -33.648
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: 5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -733.996959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.996959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.996959 (E_RNA)
where:
Base-Base interactions energy: -489.718
where: short stacking energy: -212.737
Base-Backbone interact. energy: -1.265
local terms energy: -243.013916
where:
bonds (distance) C4'-P energy: -47.974
bonds (distance) P-C4' energy: -46.673
flat angles C4'-P-C4' energy: -48.270
flat angles P-C4'-P energy: -44.784
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: 2, replica: 8
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -727.747013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.747013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.747013 (E_RNA)
where:
Base-Base interactions energy: -500.615
where: short stacking energy: -196.022
Base-Backbone interact. energy: 1.146
local terms energy: -228.278100
where:
bonds (distance) C4'-P energy: -48.397
bonds (distance) P-C4' energy: -51.748
flat angles C4'-P-C4' energy: -48.063
flat angles P-C4'-P energy: -25.820
tors. eta vs tors. theta energy: -54.250
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: 3, replica: 6
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -704.098638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.098638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.098638 (E_RNA)
where:
Base-Base interactions energy: -491.401
where: short stacking energy: -230.903
Base-Backbone interact. energy: 0.706
local terms energy: -213.403576
where:
bonds (distance) C4'-P energy: -43.101
bonds (distance) P-C4' energy: -37.115
flat angles C4'-P-C4' energy: -40.812
flat angles P-C4'-P energy: -34.044
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: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -666.453188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.453188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.453188 (E_RNA)
where:
Base-Base interactions energy: -430.389
where: short stacking energy: -181.003
Base-Backbone interact. energy: -1.848
local terms energy: -234.216933
where:
bonds (distance) C4'-P energy: -48.529
bonds (distance) P-C4' energy: -42.904
flat angles C4'-P-C4' energy: -53.868
flat angles P-C4'-P energy: -35.038
tors. eta vs tors. theta energy: -53.878
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: 25
Temperature: 1.100000
Total energy: -651.341355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.341355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.341355 (E_RNA)
where:
Base-Base interactions energy: -465.156
where: short stacking energy: -191.962
Base-Backbone interact. energy: 1.372
local terms energy: -187.557327
where:
bonds (distance) C4'-P energy: -31.111
bonds (distance) P-C4' energy: -46.530
flat angles C4'-P-C4' energy: -32.714
flat angles P-C4'-P energy: -23.599
tors. eta vs tors. theta energy: -53.603
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: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -557.200253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.200253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.200253 (E_RNA)
where:
Base-Base interactions energy: -370.576
where: short stacking energy: -160.112
Base-Backbone interact. energy: -1.367
local terms energy: -185.257588
where:
bonds (distance) C4'-P energy: -44.361
bonds (distance) P-C4' energy: -44.089
flat angles C4'-P-C4' energy: -42.941
flat angles P-C4'-P energy: -19.060
tors. eta vs tors. theta energy: -34.806
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: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -491.906950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.906950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.906950 (E_RNA)
where:
Base-Base interactions energy: -315.043
where: short stacking energy: -150.665
Base-Backbone interact. energy: -0.670
local terms energy: -176.194022
where:
bonds (distance) C4'-P energy: -40.833
bonds (distance) P-C4' energy: -46.236
flat angles C4'-P-C4' energy: -35.792
flat angles P-C4'-P energy: -22.613
tors. eta vs tors. theta energy: -30.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -464.498430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.498430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.498430 (E_RNA)
where:
Base-Base interactions energy: -294.762
where: short stacking energy: -141.012
Base-Backbone interact. energy: -0.579
local terms energy: -169.157784
where:
bonds (distance) C4'-P energy: -34.389
bonds (distance) P-C4' energy: -37.678
flat angles C4'-P-C4' energy: -41.298
flat angles P-C4'-P energy: -26.291
tors. eta vs tors. theta energy: -29.502
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: 25
Temperature: 1.300000
Total energy: -327.638843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.638843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.638843 (E_RNA)
where:
Base-Base interactions energy: -167.972
where: short stacking energy: -99.887
Base-Backbone interact. energy: 0.077
local terms energy: -159.744039
where:
bonds (distance) C4'-P energy: -38.164
bonds (distance) P-C4' energy: -36.165
flat angles C4'-P-C4' energy: -44.001
flat angles P-C4'-P energy: -28.617
tors. eta vs tors. theta energy: -12.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -200.146857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.146857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.146857 (E_RNA)
where:
Base-Base interactions energy: -81.485
where: short stacking energy: -55.076
Base-Backbone interact. energy: -0.073
local terms energy: -118.588293
where:
bonds (distance) C4'-P energy: -42.144
bonds (distance) P-C4' energy: -36.656
flat angles C4'-P-C4' energy: -42.773
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: 13.943
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: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -733.054412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.054412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.054412 (E_RNA)
where:
Base-Base interactions energy: -501.433
where: short stacking energy: -208.347
Base-Backbone interact. energy: -0.227
local terms energy: -231.395005
where:
bonds (distance) C4'-P energy: -43.770
bonds (distance) P-C4' energy: -47.251
flat angles C4'-P-C4' energy: -49.820
flat angles P-C4'-P energy: -37.894
tors. eta vs tors. theta energy: -52.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -721.562821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.562821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.562821 (E_RNA)
where:
Base-Base interactions energy: -504.653
where: short stacking energy: -208.042
Base-Backbone interact. energy: -0.229
local terms energy: -216.681323
where:
bonds (distance) C4'-P energy: -34.888
bonds (distance) P-C4' energy: -50.155
flat angles C4'-P-C4' energy: -47.336
flat angles P-C4'-P energy: -29.441
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: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -673.579367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.579367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.579367 (E_RNA)
where:
Base-Base interactions energy: -453.543
where: short stacking energy: -194.154
Base-Backbone interact. energy: -0.624
local terms energy: -219.412024
where:
bonds (distance) C4'-P energy: -46.839
bonds (distance) P-C4' energy: -45.155
flat angles C4'-P-C4' energy: -55.205
flat angles P-C4'-P energy: -24.673
tors. eta vs tors. theta energy: -47.539
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: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -683.335341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.335341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.335341 (E_RNA)
where:
Base-Base interactions energy: -476.538
where: short stacking energy: -221.790
Base-Backbone interact. energy: -0.178
local terms energy: -206.619711
where:
bonds (distance) C4'-P energy: -31.577
bonds (distance) P-C4' energy: -42.970
flat angles C4'-P-C4' energy: -44.583
flat angles P-C4'-P energy: -29.429
tors. eta vs tors. theta energy: -58.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -643.193992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.193992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.193992 (E_RNA)
where:
Base-Base interactions energy: -442.206
where: short stacking energy: -206.280
Base-Backbone interact. energy: -1.485
local terms energy: -199.503348
where:
bonds (distance) C4'-P energy: -39.103
bonds (distance) P-C4' energy: -39.903
flat angles C4'-P-C4' energy: -42.423
flat angles P-C4'-P energy: -25.873
tors. eta vs tors. theta energy: -52.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -566.393238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.393238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.393238 (E_RNA)
where:
Base-Base interactions energy: -369.679
where: short stacking energy: -170.476
Base-Backbone interact. energy: -0.584
local terms energy: -196.130265
where:
bonds (distance) C4'-P energy: -51.537
bonds (distance) P-C4' energy: -36.926
flat angles C4'-P-C4' energy: -44.432
flat angles P-C4'-P energy: -23.564
tors. eta vs tors. theta energy: -39.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -480.092179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.092179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.092179 (E_RNA)
where:
Base-Base interactions energy: -301.585
where: short stacking energy: -128.571
Base-Backbone interact. energy: -1.145
local terms energy: -177.361788
where:
bonds (distance) C4'-P energy: -39.929
bonds (distance) P-C4' energy: -49.119
flat angles C4'-P-C4' energy: -45.870
flat angles P-C4'-P energy: -18.099
tors. eta vs tors. theta energy: -24.345
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: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -537.883610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.883610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.883610 (E_RNA)
where:
Base-Base interactions energy: -376.879
where: short stacking energy: -167.702
Base-Backbone interact. energy: -1.091
local terms energy: -159.913663
where:
bonds (distance) C4'-P energy: -36.935
bonds (distance) P-C4' energy: -36.381
flat angles C4'-P-C4' energy: -33.218
flat angles P-C4'-P energy: -22.674
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: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -311.947888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.947888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.947888 (E_RNA)
where:
Base-Base interactions energy: -158.895
where: short stacking energy: -85.218
Base-Backbone interact. energy: -0.386
local terms energy: -152.666783
where:
bonds (distance) C4'-P energy: -40.765
bonds (distance) P-C4' energy: -32.523
flat angles C4'-P-C4' energy: -46.377
flat angles P-C4'-P energy: -23.765
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -234.168124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.168124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.168124 (E_RNA)
where:
Base-Base interactions energy: -98.511
where: short stacking energy: -76.969
Base-Backbone interact. energy: 6.354
local terms energy: -142.010737
where:
bonds (distance) C4'-P energy: -38.126
bonds (distance) P-C4' energy: -34.744
flat angles C4'-P-C4' energy: -35.331
flat angles P-C4'-P energy: -28.567
tors. eta vs tors. theta energy: -5.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -736.735053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.735053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.735053 (E_RNA)
where:
Base-Base interactions energy: -507.567
where: short stacking energy: -220.189
Base-Backbone interact. energy: -2.012
local terms energy: -227.156451
where:
bonds (distance) C4'-P energy: -41.647
bonds (distance) P-C4' energy: -45.309
flat angles C4'-P-C4' energy: -45.756
flat angles P-C4'-P energy: -41.349
tors. eta vs tors. theta energy: -53.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -718.429959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.429959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.429959 (E_RNA)
where:
Base-Base interactions energy: -485.144
where: short stacking energy: -197.489
Base-Backbone interact. energy: -1.784
local terms energy: -231.502232
where:
bonds (distance) C4'-P energy: -40.717
bonds (distance) P-C4' energy: -51.424
flat angles C4'-P-C4' energy: -49.938
flat angles P-C4'-P energy: -33.112
tors. eta vs tors. theta energy: -56.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -716.964360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.964360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.964360 (E_RNA)
where:
Base-Base interactions energy: -499.436
where: short stacking energy: -226.468
Base-Backbone interact. energy: -1.553
local terms energy: -215.974634
where:
bonds (distance) C4'-P energy: -38.542
bonds (distance) P-C4' energy: -39.478
flat angles C4'-P-C4' energy: -46.097
flat angles P-C4'-P energy: -30.391
tors. eta vs tors. theta energy: -61.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -698.977387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.977387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.977387 (E_RNA)
where:
Base-Base interactions energy: -471.503
where: short stacking energy: -213.174
Base-Backbone interact. energy: 1.061
local terms energy: -228.534645
where:
bonds (distance) C4'-P energy: -30.601
bonds (distance) P-C4' energy: -56.151
flat angles C4'-P-C4' energy: -56.377
flat angles P-C4'-P energy: -27.804
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: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -598.718117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.718117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.718117 (E_RNA)
where:
Base-Base interactions energy: -402.159
where: short stacking energy: -171.870
Base-Backbone interact. energy: -0.360
local terms energy: -196.198600
where:
bonds (distance) C4'-P energy: -38.902
bonds (distance) P-C4' energy: -41.138
flat angles C4'-P-C4' energy: -40.542
flat angles P-C4'-P energy: -38.415
tors. eta vs tors. theta energy: -37.202
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: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -593.397257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.397257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.397257 (E_RNA)
where:
Base-Base interactions energy: -385.389
where: short stacking energy: -171.876
Base-Backbone interact. energy: -0.682
local terms energy: -207.326384
where:
bonds (distance) C4'-P energy: -43.148
bonds (distance) P-C4' energy: -40.957
flat angles C4'-P-C4' energy: -49.010
flat angles P-C4'-P energy: -29.853
tors. eta vs tors. theta energy: -44.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -518.274981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.274981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.274981 (E_RNA)
where:
Base-Base interactions energy: -329.463
where: short stacking energy: -153.289
Base-Backbone interact. energy: -1.587
local terms energy: -187.225434
where:
bonds (distance) C4'-P energy: -39.251
bonds (distance) P-C4' energy: -46.114
flat angles C4'-P-C4' energy: -40.194
flat angles P-C4'-P energy: -25.624
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: 4
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -534.794952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.794952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.794952 (E_RNA)
where:
Base-Base interactions energy: -341.240
where: short stacking energy: -159.688
Base-Backbone interact. energy: -0.555
local terms energy: -193.000062
where:
bonds (distance) C4'-P energy: -41.334
bonds (distance) P-C4' energy: -42.358
flat angles C4'-P-C4' energy: -49.196
flat angles P-C4'-P energy: -22.937
tors. eta vs tors. theta energy: -37.176
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: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -320.540038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.540038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.540038 (E_RNA)
where:
Base-Base interactions energy: -165.384
where: short stacking energy: -86.906
Base-Backbone interact. energy: -0.822
local terms energy: -154.333716
where:
bonds (distance) C4'-P energy: -39.293
bonds (distance) P-C4' energy: -38.822
flat angles C4'-P-C4' energy: -36.071
flat angles P-C4'-P energy: -25.413
tors. eta vs tors. theta energy: -14.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -207.644915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.644915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.644915 (E_RNA)
where:
Base-Base interactions energy: -107.331
where: short stacking energy: -72.389
Base-Backbone interact. energy: -0.895
local terms energy: -99.418981
where:
bonds (distance) C4'-P energy: -44.024
bonds (distance) P-C4' energy: -28.152
flat angles C4'-P-C4' energy: -23.474
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: 5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -722.549846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.549846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.549846 (E_RNA)
where:
Base-Base interactions energy: -473.471
where: short stacking energy: -211.779
Base-Backbone interact. energy: -1.264
local terms energy: -247.814875
where:
bonds (distance) C4'-P energy: -50.726
bonds (distance) P-C4' energy: -46.057
flat angles C4'-P-C4' energy: -53.845
flat angles P-C4'-P energy: -36.597
tors. eta vs tors. theta energy: -60.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -729.719841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.719841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.719841 (E_RNA)
where:
Base-Base interactions energy: -500.739
where: short stacking energy: -214.777
Base-Backbone interact. energy: -0.026
local terms energy: -228.955057
where:
bonds (distance) C4'-P energy: -46.137
bonds (distance) P-C4' energy: -45.036
flat angles C4'-P-C4' energy: -51.490
flat angles P-C4'-P energy: -31.330
tors. eta vs tors. theta energy: -54.962
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: 3, replica: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -707.808423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.808423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.808423 (E_RNA)
where:
Base-Base interactions energy: -486.769
where: short stacking energy: -198.423
Base-Backbone interact. energy: -0.935
local terms energy: -220.104331
where:
bonds (distance) C4'-P energy: -44.196
bonds (distance) P-C4' energy: -47.073
flat angles C4'-P-C4' energy: -43.852
flat angles P-C4'-P energy: -25.807
tors. eta vs tors. theta energy: -59.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -709.783876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.783876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.783876 (E_RNA)
where:
Base-Base interactions energy: -488.660
where: short stacking energy: -239.820
Base-Backbone interact. energy: 0.864
local terms energy: -221.988644
where:
bonds (distance) C4'-P energy: -40.294
bonds (distance) P-C4' energy: -38.764
flat angles C4'-P-C4' energy: -50.779
flat angles P-C4'-P energy: -29.061
tors. eta vs tors. theta energy: -63.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -623.132743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.132743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.132743 (E_RNA)
where:
Base-Base interactions energy: -415.810
where: short stacking energy: -187.226
Base-Backbone interact. energy: 0.698
local terms energy: -208.020464
where:
bonds (distance) C4'-P energy: -40.818
bonds (distance) P-C4' energy: -47.757
flat angles C4'-P-C4' energy: -40.924
flat angles P-C4'-P energy: -23.293
tors. eta vs tors. theta energy: -55.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -570.947883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.947883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.947883 (E_RNA)
where:
Base-Base interactions energy: -369.696
where: short stacking energy: -161.797
Base-Backbone interact. energy: -2.068
local terms energy: -199.183572
where:
bonds (distance) C4'-P energy: -37.956
bonds (distance) P-C4' energy: -46.091
flat angles C4'-P-C4' energy: -46.230
flat angles P-C4'-P energy: -25.747
tors. eta vs tors. theta energy: -43.159
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: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -499.247773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.247773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.247773 (E_RNA)
where:
Base-Base interactions energy: -340.410
where: short stacking energy: -146.843
Base-Backbone interact. energy: 0.138
local terms energy: -158.975371
where:
bonds (distance) C4'-P energy: -35.812
bonds (distance) P-C4' energy: -35.437
flat angles C4'-P-C4' energy: -38.784
flat angles P-C4'-P energy: -21.960
tors. eta vs tors. theta energy: -26.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -513.976983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.976983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.976983 (E_RNA)
where:
Base-Base interactions energy: -332.533
where: short stacking energy: -161.834
Base-Backbone interact. energy: -0.476
local terms energy: -180.967552
where:
bonds (distance) C4'-P energy: -33.848
bonds (distance) P-C4' energy: -41.238
flat angles C4'-P-C4' energy: -43.650
flat angles P-C4'-P energy: -23.703
tors. eta vs tors. theta energy: -38.529
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: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -288.797852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.797852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.797852 (E_RNA)
where:
Base-Base interactions energy: -143.910
where: short stacking energy: -80.112
Base-Backbone interact. energy: -0.324
local terms energy: -144.563832
where:
bonds (distance) C4'-P energy: -31.856
bonds (distance) P-C4' energy: -36.346
flat angles C4'-P-C4' energy: -40.054
flat angles P-C4'-P energy: -30.053
tors. eta vs tors. theta energy: -6.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -210.630015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.630015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.630015 (E_RNA)
where:
Base-Base interactions energy: -76.617
where: short stacking energy: -61.302
Base-Backbone interact. energy: -0.512
local terms energy: -133.500641
where:
bonds (distance) C4'-P energy: -36.792
bonds (distance) P-C4' energy: -41.950
flat angles C4'-P-C4' energy: -33.161
flat angles P-C4'-P energy: -27.727
tors. eta vs tors. theta energy: 6.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -727.627611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.627611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.627611 (E_RNA)
where:
Base-Base interactions energy: -488.414
where: short stacking energy: -224.841
Base-Backbone interact. energy: -1.274
local terms energy: -237.939878
where:
bonds (distance) C4'-P energy: -49.826
bonds (distance) P-C4' energy: -49.508
flat angles C4'-P-C4' energy: -48.454
flat angles P-C4'-P energy: -31.889
tors. eta vs tors. theta energy: -58.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -729.867440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.867440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.867440 (E_RNA)
where:
Base-Base interactions energy: -491.716
where: short stacking energy: -205.667
Base-Backbone interact. energy: 3.040
local terms energy: -241.192056
where:
bonds (distance) C4'-P energy: -47.039
bonds (distance) P-C4' energy: -49.734
flat angles C4'-P-C4' energy: -55.664
flat angles P-C4'-P energy: -28.352
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: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -756.320392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.320392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.320392 (E_RNA)
where:
Base-Base interactions energy: -520.180
where: short stacking energy: -221.364
Base-Backbone interact. energy: -0.489
local terms energy: -235.651616
where:
bonds (distance) C4'-P energy: -49.463
bonds (distance) P-C4' energy: -43.356
flat angles C4'-P-C4' energy: -46.988
flat angles P-C4'-P energy: -35.702
tors. eta vs tors. theta energy: -60.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -698.958831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.958831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.958831 (E_RNA)
where:
Base-Base interactions energy: -476.838
where: short stacking energy: -205.802
Base-Backbone interact. energy: -1.368
local terms energy: -220.752649
where:
bonds (distance) C4'-P energy: -45.041
bonds (distance) P-C4' energy: -41.009
flat angles C4'-P-C4' energy: -40.421
flat angles P-C4'-P energy: -33.102
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: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -652.748041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.748041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.748041 (E_RNA)
where:
Base-Base interactions energy: -429.618
where: short stacking energy: -191.435
Base-Backbone interact. energy: -2.206
local terms energy: -220.923643
where:
bonds (distance) C4'-P energy: -43.153
bonds (distance) P-C4' energy: -37.314
flat angles C4'-P-C4' energy: -47.587
flat angles P-C4'-P energy: -38.378
tors. eta vs tors. theta energy: -54.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -548.627410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.627410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.627410 (E_RNA)
where:
Base-Base interactions energy: -342.002
where: short stacking energy: -158.455
Base-Backbone interact. energy: 0.236
local terms energy: -206.861780
where:
bonds (distance) C4'-P energy: -39.293
bonds (distance) P-C4' energy: -48.362
flat angles C4'-P-C4' energy: -48.045
flat angles P-C4'-P energy: -37.846
tors. eta vs tors. theta energy: -33.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -523.317767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.317767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.317767 (E_RNA)
where:
Base-Base interactions energy: -321.626
where: short stacking energy: -132.010
Base-Backbone interact. energy: -0.814
local terms energy: -200.877809
where:
bonds (distance) C4'-P energy: -46.216
bonds (distance) P-C4' energy: -39.028
flat angles C4'-P-C4' energy: -42.873
flat angles P-C4'-P energy: -40.726
tors. eta vs tors. theta energy: -32.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -494.506242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.506242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.506242 (E_RNA)
where:
Base-Base interactions energy: -319.248
where: short stacking energy: -152.978
Base-Backbone interact. energy: -1.121
local terms energy: -174.136833
where:
bonds (distance) C4'-P energy: -45.637
bonds (distance) P-C4' energy: -44.994
flat angles C4'-P-C4' energy: -41.574
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -25.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -328.389632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.389632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.389632 (E_RNA)
where:
Base-Base interactions energy: -168.515
where: short stacking energy: -83.719
Base-Backbone interact. energy: -0.910
local terms energy: -158.964260
where:
bonds (distance) C4'-P energy: -38.019
bonds (distance) P-C4' energy: -43.835
flat angles C4'-P-C4' energy: -41.950
flat angles P-C4'-P energy: -22.489
tors. eta vs tors. theta energy: -12.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -228.721798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.721798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.721798 (E_RNA)
where:
Base-Base interactions energy: -96.755
where: short stacking energy: -83.539
Base-Backbone interact. energy: -1.070
local terms energy: -130.897148
where:
bonds (distance) C4'-P energy: -30.118
bonds (distance) P-C4' energy: -34.172
flat angles C4'-P-C4' energy: -43.264
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -748.920539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.920539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.920539 (E_RNA)
where:
Base-Base interactions energy: -510.988
where: short stacking energy: -227.175
Base-Backbone interact. energy: -1.193
local terms energy: -236.739547
where:
bonds (distance) C4'-P energy: -39.434
bonds (distance) P-C4' energy: -39.642
flat angles C4'-P-C4' energy: -55.506
flat angles P-C4'-P energy: -34.314
tors. eta vs tors. theta energy: -67.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -732.138060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.138060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.138060 (E_RNA)
where:
Base-Base interactions energy: -519.540
where: short stacking energy: -198.397
Base-Backbone interact. energy: -0.543
local terms energy: -212.055544
where:
bonds (distance) C4'-P energy: -41.099
bonds (distance) P-C4' energy: -48.103
flat angles C4'-P-C4' energy: -46.480
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -57.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -740.872399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.872399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.872399 (E_RNA)
where:
Base-Base interactions energy: -507.904
where: short stacking energy: -220.594
Base-Backbone interact. energy: 0.048
local terms energy: -233.016203
where:
bonds (distance) C4'-P energy: -35.401
bonds (distance) P-C4' energy: -50.092
flat angles C4'-P-C4' energy: -52.431
flat angles P-C4'-P energy: -36.009
tors. eta vs tors. theta energy: -59.084
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: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -694.247195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.247195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.247195 (E_RNA)
where:
Base-Base interactions energy: -479.699
where: short stacking energy: -216.948
Base-Backbone interact. energy: -0.558
local terms energy: -213.989921
where:
bonds (distance) C4'-P energy: -44.446
bonds (distance) P-C4' energy: -39.276
flat angles C4'-P-C4' energy: -49.386
flat angles P-C4'-P energy: -22.968
tors. eta vs tors. theta energy: -57.914
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: 30
Temperature: 1.100000
Total energy: -661.542287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.542287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.542287 (E_RNA)
where:
Base-Base interactions energy: -442.997
where: short stacking energy: -192.615
Base-Backbone interact. energy: -0.812
local terms energy: -217.732371
where:
bonds (distance) C4'-P energy: -40.198
bonds (distance) P-C4' energy: -47.595
flat angles C4'-P-C4' energy: -51.793
flat angles P-C4'-P energy: -25.027
tors. eta vs tors. theta energy: -53.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -542.518632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.518632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.518632 (E_RNA)
where:
Base-Base interactions energy: -358.172
where: short stacking energy: -169.491
Base-Backbone interact. energy: -1.097
local terms energy: -183.249715
where:
bonds (distance) C4'-P energy: -27.785
bonds (distance) P-C4' energy: -36.552
flat angles C4'-P-C4' energy: -44.871
flat angles P-C4'-P energy: -26.714
tors. eta vs tors. theta energy: -47.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -497.588329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.588329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.588329 (E_RNA)
where:
Base-Base interactions energy: -322.820
where: short stacking energy: -147.894
Base-Backbone interact. energy: -0.329
local terms energy: -174.439798
where:
bonds (distance) C4'-P energy: -36.269
bonds (distance) P-C4' energy: -46.882
flat angles C4'-P-C4' energy: -40.977
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -32.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -528.190870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.190870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.190870 (E_RNA)
where:
Base-Base interactions energy: -361.772
where: short stacking energy: -164.147
Base-Backbone interact. energy: 0.666
local terms energy: -167.084290
where:
bonds (distance) C4'-P energy: -32.052
bonds (distance) P-C4' energy: -42.910
flat angles C4'-P-C4' energy: -35.521
flat angles P-C4'-P energy: -23.142
tors. eta vs tors. theta energy: -33.459
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: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -352.530376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.530376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.530376 (E_RNA)
where:
Base-Base interactions energy: -192.106
where: short stacking energy: -115.847
Base-Backbone interact. energy: -0.158
local terms energy: -160.266327
where:
bonds (distance) C4'-P energy: -38.116
bonds (distance) P-C4' energy: -37.836
flat angles C4'-P-C4' energy: -35.918
flat angles P-C4'-P energy: -29.796
tors. eta vs tors. theta energy: -18.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -201.462229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.462229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.462229 (E_RNA)
where:
Base-Base interactions energy: -66.983
where: short stacking energy: -55.773
Base-Backbone interact. energy: 2.563
local terms energy: -137.042269
where:
bonds (distance) C4'-P energy: -44.582
bonds (distance) P-C4' energy: -40.212
flat angles C4'-P-C4' energy: -44.618
flat angles P-C4'-P energy: -21.186
tors. eta vs tors. theta energy: 13.556
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: 31
Temperature: 0.900000
Total energy: -747.463273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.463273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.463273 (E_RNA)
where:
Base-Base interactions energy: -495.066
where: short stacking energy: -223.356
Base-Backbone interact. energy: -1.078
local terms energy: -251.319497
where:
bonds (distance) C4'-P energy: -48.473
bonds (distance) P-C4' energy: -47.892
flat angles C4'-P-C4' energy: -56.625
flat angles P-C4'-P energy: -33.075
tors. eta vs tors. theta energy: -65.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -742.948106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.948106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.948106 (E_RNA)
where:
Base-Base interactions energy: -512.431
where: short stacking energy: -209.993
Base-Backbone interact. energy: -0.736
local terms energy: -229.781701
where:
bonds (distance) C4'-P energy: -46.353
bonds (distance) P-C4' energy: -42.202
flat angles C4'-P-C4' energy: -48.842
flat angles P-C4'-P energy: -36.336
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: 8
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -748.061421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.061421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.061421 (E_RNA)
where:
Base-Base interactions energy: -505.400
where: short stacking energy: -222.370
Base-Backbone interact. energy: -0.503
local terms energy: -242.158595
where:
bonds (distance) C4'-P energy: -37.940
bonds (distance) P-C4' energy: -52.628
flat angles C4'-P-C4' energy: -57.168
flat angles P-C4'-P energy: -31.028
tors. eta vs tors. theta energy: -63.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -713.218798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.218798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.218798 (E_RNA)
where:
Base-Base interactions energy: -491.128
where: short stacking energy: -211.948
Base-Backbone interact. energy: -0.519
local terms energy: -221.572481
where:
bonds (distance) C4'-P energy: -34.092
bonds (distance) P-C4' energy: -48.868
flat angles C4'-P-C4' energy: -49.148
flat angles P-C4'-P energy: -33.396
tors. eta vs tors. theta energy: -56.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -681.072750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.072750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.072750 (E_RNA)
where:
Base-Base interactions energy: -460.869
where: short stacking energy: -205.665
Base-Backbone interact. energy: 0.051
local terms energy: -220.254237
where:
bonds (distance) C4'-P energy: -40.615
bonds (distance) P-C4' energy: -48.486
flat angles C4'-P-C4' energy: -45.178
flat angles P-C4'-P energy: -29.989
tors. eta vs tors. theta energy: -55.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -530.646588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.646588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.646588 (E_RNA)
where:
Base-Base interactions energy: -338.847
where: short stacking energy: -160.709
Base-Backbone interact. energy: -1.632
local terms energy: -190.168025
where:
bonds (distance) C4'-P energy: -37.589
bonds (distance) P-C4' energy: -42.786
flat angles C4'-P-C4' energy: -43.122
flat angles P-C4'-P energy: -28.207
tors. eta vs tors. theta energy: -38.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -496.591578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.591578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.591578 (E_RNA)
where:
Base-Base interactions energy: -320.465
where: short stacking energy: -132.919
Base-Backbone interact. energy: 0.388
local terms energy: -176.515339
where:
bonds (distance) C4'-P energy: -40.818
bonds (distance) P-C4' energy: -44.121
flat angles C4'-P-C4' energy: -41.414
flat angles P-C4'-P energy: -31.096
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -551.346530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.346530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.346530 (E_RNA)
where:
Base-Base interactions energy: -366.925
where: short stacking energy: -164.943
Base-Backbone interact. energy: -0.803
local terms energy: -183.618295
where:
bonds (distance) C4'-P energy: -31.861
bonds (distance) P-C4' energy: -41.937
flat angles C4'-P-C4' energy: -46.962
flat angles P-C4'-P energy: -28.577
tors. eta vs tors. theta energy: -34.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -329.854420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.854420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.854420 (E_RNA)
where:
Base-Base interactions energy: -191.212
where: short stacking energy: -100.990
Base-Backbone interact. energy: -1.242
local terms energy: -137.400010
where:
bonds (distance) C4'-P energy: -28.086
bonds (distance) P-C4' energy: -43.341
flat angles C4'-P-C4' energy: -31.203
flat angles P-C4'-P energy: -23.722
tors. eta vs tors. theta energy: -11.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -202.863428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.863428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.863428 (E_RNA)
where:
Base-Base interactions energy: -72.378
where: short stacking energy: -65.607
Base-Backbone interact. energy: 4.975
local terms energy: -135.460320
where:
bonds (distance) C4'-P energy: -40.687
bonds (distance) P-C4' energy: -28.983
flat angles C4'-P-C4' energy: -33.398
flat angles P-C4'-P energy: -35.271
tors. eta vs tors. theta energy: 2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -763.435604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.435604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.435604 (E_RNA)
where:
Base-Base interactions energy: -527.353
where: short stacking energy: -238.034
Base-Backbone interact. energy: -0.657
local terms energy: -235.425602
where:
bonds (distance) C4'-P energy: -46.275
bonds (distance) P-C4' energy: -49.484
flat angles C4'-P-C4' energy: -52.941
flat angles P-C4'-P energy: -29.859
tors. eta vs tors. theta energy: -56.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -745.590850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.590850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.590850 (E_RNA)
where:
Base-Base interactions energy: -509.966
where: short stacking energy: -240.612
Base-Backbone interact. energy: 0.686
local terms energy: -236.310314
where:
bonds (distance) C4'-P energy: -41.194
bonds (distance) P-C4' energy: -43.791
flat angles C4'-P-C4' energy: -47.949
flat angles P-C4'-P energy: -37.640
tors. eta vs tors. theta energy: -65.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -754.160129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.160129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.160129 (E_RNA)
where:
Base-Base interactions energy: -528.556
where: short stacking energy: -222.984
Base-Backbone interact. energy: -1.048
local terms energy: -224.555625
where:
bonds (distance) C4'-P energy: -36.232
bonds (distance) P-C4' energy: -48.107
flat angles C4'-P-C4' energy: -50.739
flat angles P-C4'-P energy: -36.027
tors. eta vs tors. theta energy: -53.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -692.062565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.062565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.062565 (E_RNA)
where:
Base-Base interactions energy: -473.367
where: short stacking energy: -226.197
Base-Backbone interact. energy: -1.263
local terms energy: -217.432372
where:
bonds (distance) C4'-P energy: -46.105
bonds (distance) P-C4' energy: -39.194
flat angles C4'-P-C4' energy: -50.107
flat angles P-C4'-P energy: -22.032
tors. eta vs tors. theta energy: -59.994
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: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -677.918674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.918674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.918674 (E_RNA)
where:
Base-Base interactions energy: -477.382
where: short stacking energy: -213.555
Base-Backbone interact. energy: -0.930
local terms energy: -199.606122
where:
bonds (distance) C4'-P energy: -30.972
bonds (distance) P-C4' energy: -37.481
flat angles C4'-P-C4' energy: -38.938
flat angles P-C4'-P energy: -32.980
tors. eta vs tors. theta energy: -59.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -504.125970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.125970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.125970 (E_RNA)
where:
Base-Base interactions energy: -321.393
where: short stacking energy: -159.973
Base-Backbone interact. energy: 1.286
local terms energy: -184.019181
where:
bonds (distance) C4'-P energy: -40.697
bonds (distance) P-C4' energy: -40.221
flat angles C4'-P-C4' energy: -42.780
flat angles P-C4'-P energy: -26.432
tors. eta vs tors. theta energy: -33.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -554.487218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.487218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.487218 (E_RNA)
where:
Base-Base interactions energy: -367.905
where: short stacking energy: -159.342
Base-Backbone interact. energy: -0.387
local terms energy: -186.196015
where:
bonds (distance) C4'-P energy: -36.632
bonds (distance) P-C4' energy: -44.170
flat angles C4'-P-C4' energy: -37.761
flat angles P-C4'-P energy: -34.436
tors. eta vs tors. theta energy: -33.197
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: 32
Temperature: 1.250000
Total energy: -482.352462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.352462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.352462 (E_RNA)
where:
Base-Base interactions energy: -316.184
where: short stacking energy: -141.598
Base-Backbone interact. energy: -0.540
local terms energy: -165.627995
where:
bonds (distance) C4'-P energy: -46.705
bonds (distance) P-C4' energy: -33.072
flat angles C4'-P-C4' energy: -37.573
flat angles P-C4'-P energy: -21.488
tors. eta vs tors. theta energy: -26.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -402.990222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.990222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.990222 (E_RNA)
where:
Base-Base interactions energy: -242.579
where: short stacking energy: -99.376
Base-Backbone interact. energy: -0.930
local terms energy: -159.481575
where:
bonds (distance) C4'-P energy: -43.791
bonds (distance) P-C4' energy: -38.650
flat angles C4'-P-C4' energy: -34.623
flat angles P-C4'-P energy: -22.556
tors. eta vs tors. theta energy: -19.861
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: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -206.522738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.522738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.522738 (E_RNA)
where:
Base-Base interactions energy: -80.873
where: short stacking energy: -68.927
Base-Backbone interact. energy: -0.628
local terms energy: -125.022213
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -43.705
flat angles C4'-P-C4' energy: -33.931
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -0.163
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: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -786.737758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.737758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.737758 (E_RNA)
where:
Base-Base interactions energy: -536.178
where: short stacking energy: -224.945
Base-Backbone interact. energy: -2.447
local terms energy: -248.112818
where:
bonds (distance) C4'-P energy: -52.857
bonds (distance) P-C4' energy: -47.284
flat angles C4'-P-C4' energy: -53.577
flat angles P-C4'-P energy: -37.883
tors. eta vs tors. theta energy: -56.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -745.002584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.002584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.002584 (E_RNA)
where:
Base-Base interactions energy: -513.980
where: short stacking energy: -222.690
Base-Backbone interact. energy: 0.588
local terms energy: -231.611219
where:
bonds (distance) C4'-P energy: -40.500
bonds (distance) P-C4' energy: -40.285
flat angles C4'-P-C4' energy: -53.412
flat angles P-C4'-P energy: -39.000
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: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -728.142260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.142260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.142260 (E_RNA)
where:
Base-Base interactions energy: -493.810
where: short stacking energy: -206.013
Base-Backbone interact. energy: 2.395
local terms energy: -236.726721
where:
bonds (distance) C4'-P energy: -43.776
bonds (distance) P-C4' energy: -37.976
flat angles C4'-P-C4' energy: -56.472
flat angles P-C4'-P energy: -36.756
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: 4, replica: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -705.505173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.505173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.505173 (E_RNA)
where:
Base-Base interactions energy: -468.290
where: short stacking energy: -211.706
Base-Backbone interact. energy: -0.857
local terms energy: -236.357824
where:
bonds (distance) C4'-P energy: -47.405
bonds (distance) P-C4' energy: -49.372
flat angles C4'-P-C4' energy: -46.982
flat angles P-C4'-P energy: -29.175
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: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -678.652086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.652086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.652086 (E_RNA)
where:
Base-Base interactions energy: -455.232
where: short stacking energy: -205.934
Base-Backbone interact. energy: 1.064
local terms energy: -224.484711
where:
bonds (distance) C4'-P energy: -48.892
bonds (distance) P-C4' energy: -34.986
flat angles C4'-P-C4' energy: -49.367
flat angles P-C4'-P energy: -31.838
tors. eta vs tors. theta energy: -59.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -568.009127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.009127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.009127 (E_RNA)
where:
Base-Base interactions energy: -377.456
where: short stacking energy: -174.751
Base-Backbone interact. energy: -0.646
local terms energy: -189.906938
where:
bonds (distance) C4'-P energy: -43.415
bonds (distance) P-C4' energy: -38.528
flat angles C4'-P-C4' energy: -45.975
flat angles P-C4'-P energy: -24.334
tors. eta vs tors. theta energy: -37.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -455.016497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.016497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.016497 (E_RNA)
where:
Base-Base interactions energy: -286.356
where: short stacking energy: -136.937
Base-Backbone interact. energy: -1.386
local terms energy: -167.274884
where:
bonds (distance) C4'-P energy: -33.875
bonds (distance) P-C4' energy: -43.482
flat angles C4'-P-C4' energy: -44.054
flat angles P-C4'-P energy: -19.254
tors. eta vs tors. theta energy: -26.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -481.775172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.775172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.775172 (E_RNA)
where:
Base-Base interactions energy: -314.313
where: short stacking energy: -134.831
Base-Backbone interact. energy: 1.329
local terms energy: -168.791434
where:
bonds (distance) C4'-P energy: -40.445
bonds (distance) P-C4' energy: -39.748
flat angles C4'-P-C4' energy: -39.198
flat angles P-C4'-P energy: -23.213
tors. eta vs tors. theta energy: -26.187
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: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -353.616972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.616972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.616972 (E_RNA)
where:
Base-Base interactions energy: -185.481
where: short stacking energy: -92.773
Base-Backbone interact. energy: -2.167
local terms energy: -165.968935
where:
bonds (distance) C4'-P energy: -45.768
bonds (distance) P-C4' energy: -35.028
flat angles C4'-P-C4' energy: -44.634
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: -17.025
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: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -201.109490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.109490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.109490 (E_RNA)
where:
Base-Base interactions energy: -76.660
where: short stacking energy: -49.518
Base-Backbone interact. energy: -2.265
local terms energy: -122.184857
where:
bonds (distance) C4'-P energy: -41.065
bonds (distance) P-C4' energy: -41.778
flat angles C4'-P-C4' energy: -24.495
flat angles P-C4'-P energy: -19.244
tors. eta vs tors. theta energy: 4.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -793.716079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.716079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.716079 (E_RNA)
where:
Base-Base interactions energy: -575.549
where: short stacking energy: -233.054
Base-Backbone interact. energy: 0.546
local terms energy: -218.712936
where:
bonds (distance) C4'-P energy: -41.504
bonds (distance) P-C4' energy: -36.648
flat angles C4'-P-C4' energy: -50.300
flat angles P-C4'-P energy: -29.454
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: 2, replica: 8
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -753.092998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.092998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.092998 (E_RNA)
where:
Base-Base interactions energy: -519.695
where: short stacking energy: -221.067
Base-Backbone interact. energy: -1.298
local terms energy: -232.099650
where:
bonds (distance) C4'-P energy: -50.614
bonds (distance) P-C4' energy: -43.164
flat angles C4'-P-C4' energy: -50.264
flat angles P-C4'-P energy: -33.889
tors. eta vs tors. theta energy: -54.169
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: 3, replica: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -737.703173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.703173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.703173 (E_RNA)
where:
Base-Base interactions energy: -488.424
where: short stacking energy: -235.353
Base-Backbone interact. energy: 1.105
local terms energy: -250.383461
where:
bonds (distance) C4'-P energy: -47.677
bonds (distance) P-C4' energy: -44.290
flat angles C4'-P-C4' energy: -52.866
flat angles P-C4'-P energy: -37.481
tors. eta vs tors. theta energy: -68.069
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: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -689.180503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.180503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.180503 (E_RNA)
where:
Base-Base interactions energy: -462.675
where: short stacking energy: -198.562
Base-Backbone interact. energy: 1.030
local terms energy: -227.536015
where:
bonds (distance) C4'-P energy: -41.700
bonds (distance) P-C4' energy: -53.981
flat angles C4'-P-C4' energy: -46.276
flat angles P-C4'-P energy: -34.167
tors. eta vs tors. theta energy: -51.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -680.809539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.809539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.809539 (E_RNA)
where:
Base-Base interactions energy: -463.730
where: short stacking energy: -205.279
Base-Backbone interact. energy: -0.324
local terms energy: -216.755683
where:
bonds (distance) C4'-P energy: -39.166
bonds (distance) P-C4' energy: -48.089
flat angles C4'-P-C4' energy: -41.983
flat angles P-C4'-P energy: -32.988
tors. eta vs tors. theta energy: -54.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -570.730620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.730620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.730620 (E_RNA)
where:
Base-Base interactions energy: -369.773
where: short stacking energy: -177.998
Base-Backbone interact. energy: -1.254
local terms energy: -199.703285
where:
bonds (distance) C4'-P energy: -36.293
bonds (distance) P-C4' energy: -38.755
flat angles C4'-P-C4' energy: -46.822
flat angles P-C4'-P energy: -34.829
tors. eta vs tors. theta energy: -43.005
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: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -486.740898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.740898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.740898 (E_RNA)
where:
Base-Base interactions energy: -310.846
where: short stacking energy: -151.242
Base-Backbone interact. energy: -2.231
local terms energy: -173.664637
where:
bonds (distance) C4'-P energy: -40.014
bonds (distance) P-C4' energy: -45.362
flat angles C4'-P-C4' energy: -39.404
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -32.464
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: 8, replica: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -473.162314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.162314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.162314 (E_RNA)
where:
Base-Base interactions energy: -308.407
where: short stacking energy: -143.347
Base-Backbone interact. energy: -0.561
local terms energy: -164.194435
where:
bonds (distance) C4'-P energy: -31.185
bonds (distance) P-C4' energy: -34.948
flat angles C4'-P-C4' energy: -36.222
flat angles P-C4'-P energy: -31.800
tors. eta vs tors. theta energy: -30.040
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: 34
Temperature: 1.300000
Total energy: -393.660015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.660015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.660015 (E_RNA)
where:
Base-Base interactions energy: -226.534
where: short stacking energy: -110.922
Base-Backbone interact. energy: -1.453
local terms energy: -165.672987
where:
bonds (distance) C4'-P energy: -42.948
bonds (distance) P-C4' energy: -37.150
flat angles C4'-P-C4' energy: -35.624
flat angles P-C4'-P energy: -27.988
tors. eta vs tors. theta energy: -21.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -212.819248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.819248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.819248 (E_RNA)
where:
Base-Base interactions energy: -88.375
where: short stacking energy: -66.339
Base-Backbone interact. energy: 2.409
local terms energy: -126.853082
where:
bonds (distance) C4'-P energy: -37.226
bonds (distance) P-C4' energy: -49.630
flat angles C4'-P-C4' energy: -32.296
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: 4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -792.605008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.605008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.605008 (E_RNA)
where:
Base-Base interactions energy: -548.678
where: short stacking energy: -221.065
Base-Backbone interact. energy: -2.710
local terms energy: -241.217128
where:
bonds (distance) C4'-P energy: -49.648
bonds (distance) P-C4' energy: -46.010
flat angles C4'-P-C4' energy: -52.616
flat angles P-C4'-P energy: -33.278
tors. eta vs tors. theta energy: -59.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -743.695606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.695606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.695606 (E_RNA)
where:
Base-Base interactions energy: -493.507
where: short stacking energy: -225.072
Base-Backbone interact. energy: -1.823
local terms energy: -248.366315
where:
bonds (distance) C4'-P energy: -51.569
bonds (distance) P-C4' energy: -47.314
flat angles C4'-P-C4' energy: -51.258
flat angles P-C4'-P energy: -36.135
tors. eta vs tors. theta energy: -62.090
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: 3, replica: 8
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -738.808991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.808991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.808991 (E_RNA)
where:
Base-Base interactions energy: -514.380
where: short stacking energy: -223.821
Base-Backbone interact. energy: -1.720
local terms energy: -222.708529
where:
bonds (distance) C4'-P energy: -41.774
bonds (distance) P-C4' energy: -45.992
flat angles C4'-P-C4' energy: -54.446
flat angles P-C4'-P energy: -27.229
tors. eta vs tors. theta energy: -53.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -703.113680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.113680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.113680 (E_RNA)
where:
Base-Base interactions energy: -483.341
where: short stacking energy: -196.557
Base-Backbone interact. energy: -0.816
local terms energy: -218.956705
where:
bonds (distance) C4'-P energy: -40.360
bonds (distance) P-C4' energy: -41.634
flat angles C4'-P-C4' energy: -47.598
flat angles P-C4'-P energy: -34.473
tors. eta vs tors. theta energy: -54.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -683.488144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.488144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.488144 (E_RNA)
where:
Base-Base interactions energy: -462.087
where: short stacking energy: -218.391
Base-Backbone interact. energy: 6.029
local terms energy: -227.430366
where:
bonds (distance) C4'-P energy: -50.395
bonds (distance) P-C4' energy: -45.217
flat angles C4'-P-C4' energy: -46.256
flat angles P-C4'-P energy: -30.913
tors. eta vs tors. theta energy: -54.648
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: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -556.716910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.716910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.716910 (E_RNA)
where:
Base-Base interactions energy: -351.970
where: short stacking energy: -165.299
Base-Backbone interact. energy: -0.311
local terms energy: -204.436507
where:
bonds (distance) C4'-P energy: -38.982
bonds (distance) P-C4' energy: -52.063
flat angles C4'-P-C4' energy: -45.004
flat angles P-C4'-P energy: -28.452
tors. eta vs tors. theta energy: -39.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -515.823184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.823184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.823184 (E_RNA)
where:
Base-Base interactions energy: -334.445
where: short stacking energy: -162.186
Base-Backbone interact. energy: -0.631
local terms energy: -180.747604
where:
bonds (distance) C4'-P energy: -37.531
bonds (distance) P-C4' energy: -39.601
flat angles C4'-P-C4' energy: -44.413
flat angles P-C4'-P energy: -21.839
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: 35
Temperature: 1.250000
Total energy: -392.351489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.351489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.351489 (E_RNA)
where:
Base-Base interactions energy: -233.753
where: short stacking energy: -119.843
Base-Backbone interact. energy: 0.688
local terms energy: -159.286015
where:
bonds (distance) C4'-P energy: -42.941
bonds (distance) P-C4' energy: -42.690
flat angles C4'-P-C4' energy: -38.880
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -429.369678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.369678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.369678 (E_RNA)
where:
Base-Base interactions energy: -261.728
where: short stacking energy: -116.876
Base-Backbone interact. energy: 0.312
local terms energy: -167.952843
where:
bonds (distance) C4'-P energy: -40.252
bonds (distance) P-C4' energy: -41.136
flat angles C4'-P-C4' energy: -46.194
flat angles P-C4'-P energy: -19.903
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -199.728441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.728441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.728441 (E_RNA)
where:
Base-Base interactions energy: -68.412
where: short stacking energy: -67.710
Base-Backbone interact. energy: -0.814
local terms energy: -130.502460
where:
bonds (distance) C4'-P energy: -37.180
bonds (distance) P-C4' energy: -44.350
flat angles C4'-P-C4' energy: -40.383
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: 9.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -781.452927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.452927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.452927 (E_RNA)
where:
Base-Base interactions energy: -545.339
where: short stacking energy: -221.597
Base-Backbone interact. energy: -1.180
local terms energy: -234.934526
where:
bonds (distance) C4'-P energy: -48.172
bonds (distance) P-C4' energy: -43.020
flat angles C4'-P-C4' energy: -50.258
flat angles P-C4'-P energy: -36.226
tors. eta vs tors. theta energy: -57.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -783.473195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.473195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.473195 (E_RNA)
where:
Base-Base interactions energy: -534.089
where: short stacking energy: -225.920
Base-Backbone interact. energy: -0.211
local terms energy: -249.173198
where:
bonds (distance) C4'-P energy: -45.531
bonds (distance) P-C4' energy: -49.159
flat angles C4'-P-C4' energy: -50.730
flat angles P-C4'-P energy: -35.011
tors. eta vs tors. theta energy: -68.742
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: 8
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -689.664365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.664365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.664365 (E_RNA)
where:
Base-Base interactions energy: -455.476
where: short stacking energy: -201.078
Base-Backbone interact. energy: 1.615
local terms energy: -235.802899
where:
bonds (distance) C4'-P energy: -45.221
bonds (distance) P-C4' energy: -46.207
flat angles C4'-P-C4' energy: -51.447
flat angles P-C4'-P energy: -40.673
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: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -684.058393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.058393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.058393 (E_RNA)
where:
Base-Base interactions energy: -462.354
where: short stacking energy: -191.363
Base-Backbone interact. energy: -1.047
local terms energy: -220.656766
where:
bonds (distance) C4'-P energy: -44.318
bonds (distance) P-C4' energy: -37.204
flat angles C4'-P-C4' energy: -53.657
flat angles P-C4'-P energy: -34.118
tors. eta vs tors. theta energy: -51.361
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: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -664.164464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.164464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.164464 (E_RNA)
where:
Base-Base interactions energy: -445.826
where: short stacking energy: -204.414
Base-Backbone interact. energy: -0.627
local terms energy: -217.711085
where:
bonds (distance) C4'-P energy: -48.147
bonds (distance) P-C4' energy: -43.629
flat angles C4'-P-C4' energy: -46.624
flat angles P-C4'-P energy: -27.110
tors. eta vs tors. theta energy: -52.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -560.560499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.560499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.560499 (E_RNA)
where:
Base-Base interactions energy: -358.717
where: short stacking energy: -163.448
Base-Backbone interact. energy: -1.182
local terms energy: -200.661636
where:
bonds (distance) C4'-P energy: -47.139
bonds (distance) P-C4' energy: -53.027
flat angles C4'-P-C4' energy: -42.786
flat angles P-C4'-P energy: -19.698
tors. eta vs tors. theta energy: -38.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -523.772612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.772612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.772612 (E_RNA)
where:
Base-Base interactions energy: -354.845
where: short stacking energy: -158.797
Base-Backbone interact. energy: -1.936
local terms energy: -166.991509
where:
bonds (distance) C4'-P energy: -35.434
bonds (distance) P-C4' energy: -34.302
flat angles C4'-P-C4' energy: -38.964
flat angles P-C4'-P energy: -24.787
tors. eta vs tors. theta energy: -33.505
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: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -419.067317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.067317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.067317 (E_RNA)
where:
Base-Base interactions energy: -260.330
where: short stacking energy: -134.540
Base-Backbone interact. energy: 0.134
local terms energy: -158.871517
where:
bonds (distance) C4'-P energy: -37.052
bonds (distance) P-C4' energy: -38.899
flat angles C4'-P-C4' energy: -34.661
flat angles P-C4'-P energy: -22.820
tors. eta vs tors. theta energy: -25.439
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: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -244.744621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.744621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.744621 (E_RNA)
where:
Base-Base interactions energy: -104.356
where: short stacking energy: -76.745
Base-Backbone interact. energy: 0.433
local terms energy: -140.822079
where:
bonds (distance) C4'-P energy: -36.135
bonds (distance) P-C4' energy: -44.877
flat angles C4'-P-C4' energy: -39.629
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -9.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -414.323750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.323750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.323750 (E_RNA)
where:
Base-Base interactions energy: -251.771
where: short stacking energy: -113.538
Base-Backbone interact. energy: 1.387
local terms energy: -163.939305
where:
bonds (distance) C4'-P energy: -35.199
bonds (distance) P-C4' energy: -42.687
flat angles C4'-P-C4' energy: -37.021
flat angles P-C4'-P energy: -20.918
tors. eta vs tors. theta energy: -28.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -793.992385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.992385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.992385 (E_RNA)
where:
Base-Base interactions energy: -551.835
where: short stacking energy: -230.405
Base-Backbone interact. energy: -0.727
local terms energy: -241.430366
where:
bonds (distance) C4'-P energy: -43.526
bonds (distance) P-C4' energy: -50.687
flat angles C4'-P-C4' energy: -50.890
flat angles P-C4'-P energy: -32.827
tors. eta vs tors. theta energy: -63.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -785.116620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.116620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.116620 (E_RNA)
where:
Base-Base interactions energy: -542.331
where: short stacking energy: -240.441
Base-Backbone interact. energy: -0.056
local terms energy: -242.730175
where:
bonds (distance) C4'-P energy: -41.273
bonds (distance) P-C4' energy: -49.303
flat angles C4'-P-C4' energy: -48.748
flat angles P-C4'-P energy: -30.979
tors. eta vs tors. theta energy: -72.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -689.939803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.939803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.939803 (E_RNA)
where:
Base-Base interactions energy: -486.415
where: short stacking energy: -208.532
Base-Backbone interact. energy: 3.281
local terms energy: -206.806050
where:
bonds (distance) C4'-P energy: -42.287
bonds (distance) P-C4' energy: -43.377
flat angles C4'-P-C4' energy: -44.185
flat angles P-C4'-P energy: -25.126
tors. eta vs tors. theta energy: -51.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -696.555805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.555805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.555805 (E_RNA)
where:
Base-Base interactions energy: -486.973
where: short stacking energy: -206.954
Base-Backbone interact. energy: -1.550
local terms energy: -208.032755
where:
bonds (distance) C4'-P energy: -41.656
bonds (distance) P-C4' energy: -32.650
flat angles C4'-P-C4' energy: -41.525
flat angles P-C4'-P energy: -38.406
tors. eta vs tors. theta energy: -53.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -663.128520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.128520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.128520 (E_RNA)
where:
Base-Base interactions energy: -449.361
where: short stacking energy: -203.387
Base-Backbone interact. energy: -1.002
local terms energy: -212.765340
where:
bonds (distance) C4'-P energy: -41.298
bonds (distance) P-C4' energy: -45.471
flat angles C4'-P-C4' energy: -44.786
flat angles P-C4'-P energy: -26.518
tors. eta vs tors. theta energy: -54.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -568.543932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.543932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.543932 (E_RNA)
where:
Base-Base interactions energy: -376.039
where: short stacking energy: -163.256
Base-Backbone interact. energy: -0.839
local terms energy: -191.665696
where:
bonds (distance) C4'-P energy: -45.587
bonds (distance) P-C4' energy: -41.238
flat angles C4'-P-C4' energy: -39.008
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -39.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -485.060655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.060655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.060655 (E_RNA)
where:
Base-Base interactions energy: -310.183
where: short stacking energy: -141.544
Base-Backbone interact. energy: -1.812
local terms energy: -173.065548
where:
bonds (distance) C4'-P energy: -38.245
bonds (distance) P-C4' energy: -37.446
flat angles C4'-P-C4' energy: -40.273
flat angles P-C4'-P energy: -26.408
tors. eta vs tors. theta energy: -30.693
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: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -418.913130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.913130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.913130 (E_RNA)
where:
Base-Base interactions energy: -250.190
where: short stacking energy: -121.429
Base-Backbone interact. energy: 1.294
local terms energy: -170.017001
where:
bonds (distance) C4'-P energy: -45.288
bonds (distance) P-C4' energy: -32.471
flat angles C4'-P-C4' energy: -37.923
flat angles P-C4'-P energy: -26.718
tors. eta vs tors. theta energy: -27.617
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: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -290.691870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.691870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.691870 (E_RNA)
where:
Base-Base interactions energy: -157.456
where: short stacking energy: -95.648
Base-Backbone interact. energy: -0.162
local terms energy: -133.073518
where:
bonds (distance) C4'-P energy: -36.263
bonds (distance) P-C4' energy: -43.897
flat angles C4'-P-C4' energy: -35.666
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -318.658940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.658940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.658940 (E_RNA)
where:
Base-Base interactions energy: -167.789
where: short stacking energy: -84.338
Base-Backbone interact. energy: -0.233
local terms energy: -150.637051
where:
bonds (distance) C4'-P energy: -37.481
bonds (distance) P-C4' energy: -34.371
flat angles C4'-P-C4' energy: -44.322
flat angles P-C4'-P energy: -22.680
tors. eta vs tors. theta energy: -11.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -778.466308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.466308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.466308 (E_RNA)
where:
Base-Base interactions energy: -531.865
where: short stacking energy: -232.281
Base-Backbone interact. energy: -1.172
local terms energy: -245.429447
where:
bonds (distance) C4'-P energy: -44.730
bonds (distance) P-C4' energy: -50.853
flat angles C4'-P-C4' energy: -51.488
flat angles P-C4'-P energy: -35.451
tors. eta vs tors. theta energy: -62.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -804.164910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.164910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.164910 (E_RNA)
where:
Base-Base interactions energy: -557.541
where: short stacking energy: -243.789
Base-Backbone interact. energy: -0.024
local terms energy: -246.600118
where:
bonds (distance) C4'-P energy: -45.695
bonds (distance) P-C4' energy: -50.970
flat angles C4'-P-C4' energy: -46.819
flat angles P-C4'-P energy: -27.346
tors. eta vs tors. theta energy: -75.769
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: 3, replica: 6
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -722.221022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.221022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.221022 (E_RNA)
where:
Base-Base interactions energy: -498.077
where: short stacking energy: -231.255
Base-Backbone interact. energy: 0.399
local terms energy: -224.543171
where:
bonds (distance) C4'-P energy: -40.362
bonds (distance) P-C4' energy: -49.908
flat angles C4'-P-C4' energy: -44.274
flat angles P-C4'-P energy: -32.528
tors. eta vs tors. theta energy: -57.471
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: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -684.674022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.674022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.674022 (E_RNA)
where:
Base-Base interactions energy: -465.675
where: short stacking energy: -210.974
Base-Backbone interact. energy: 0.591
local terms energy: -219.590143
where:
bonds (distance) C4'-P energy: -44.427
bonds (distance) P-C4' energy: -43.265
flat angles C4'-P-C4' energy: -53.471
flat angles P-C4'-P energy: -32.162
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: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -652.795726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.795726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.795726 (E_RNA)
where:
Base-Base interactions energy: -441.859
where: short stacking energy: -193.170
Base-Backbone interact. energy: -2.462
local terms energy: -208.474621
where:
bonds (distance) C4'-P energy: -40.123
bonds (distance) P-C4' energy: -39.642
flat angles C4'-P-C4' energy: -44.324
flat angles P-C4'-P energy: -30.578
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: 6, replica: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -601.777613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.777613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.777613 (E_RNA)
where:
Base-Base interactions energy: -387.713
where: short stacking energy: -188.423
Base-Backbone interact. energy: -1.467
local terms energy: -212.597065
where:
bonds (distance) C4'-P energy: -40.060
bonds (distance) P-C4' energy: -41.216
flat angles C4'-P-C4' energy: -48.578
flat angles P-C4'-P energy: -33.720
tors. eta vs tors. theta energy: -49.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -500.241322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.241322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.241322 (E_RNA)
where:
Base-Base interactions energy: -314.420
where: short stacking energy: -156.313
Base-Backbone interact. energy: -1.009
local terms energy: -184.812483
where:
bonds (distance) C4'-P energy: -43.055
bonds (distance) P-C4' energy: -39.313
flat angles C4'-P-C4' energy: -45.026
flat angles P-C4'-P energy: -27.525
tors. eta vs tors. theta energy: -29.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -405.045502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.045502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.045502 (E_RNA)
where:
Base-Base interactions energy: -250.124
where: short stacking energy: -117.236
Base-Backbone interact. energy: 1.039
local terms energy: -155.960603
where:
bonds (distance) C4'-P energy: -42.678
bonds (distance) P-C4' energy: -39.526
flat angles C4'-P-C4' energy: -38.323
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -16.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -305.514194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.514194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.514194 (E_RNA)
where:
Base-Base interactions energy: -157.161
where: short stacking energy: -75.933
Base-Backbone interact. energy: -0.856
local terms energy: -147.497108
where:
bonds (distance) C4'-P energy: -35.880
bonds (distance) P-C4' energy: -41.563
flat angles C4'-P-C4' energy: -31.126
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -14.587
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: 3
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -311.540924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.540924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.540924 (E_RNA)
where:
Base-Base interactions energy: -157.102
where: short stacking energy: -87.632
Base-Backbone interact. energy: -1.538
local terms energy: -152.900255
where:
bonds (distance) C4'-P energy: -41.213
bonds (distance) P-C4' energy: -47.672
flat angles C4'-P-C4' energy: -35.064
flat angles P-C4'-P energy: -23.129
tors. eta vs tors. theta energy: -5.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -788.940046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.940046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.940046 (E_RNA)
where:
Base-Base interactions energy: -545.327
where: short stacking energy: -219.871
Base-Backbone interact. energy: -1.432
local terms energy: -242.180554
where:
bonds (distance) C4'-P energy: -43.554
bonds (distance) P-C4' energy: -51.473
flat angles C4'-P-C4' energy: -53.495
flat angles P-C4'-P energy: -37.046
tors. eta vs tors. theta energy: -56.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -813.518752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.518752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.518752 (E_RNA)
where:
Base-Base interactions energy: -571.130
where: short stacking energy: -237.990
Base-Backbone interact. energy: 1.639
local terms energy: -244.028586
where:
bonds (distance) C4'-P energy: -46.992
bonds (distance) P-C4' energy: -44.812
flat angles C4'-P-C4' energy: -52.341
flat angles P-C4'-P energy: -31.016
tors. eta vs tors. theta energy: -68.867
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: 3, replica: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -709.983979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.983979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.983979 (E_RNA)
where:
Base-Base interactions energy: -485.170
where: short stacking energy: -217.554
Base-Backbone interact. energy: -1.578
local terms energy: -223.235843
where:
bonds (distance) C4'-P energy: -51.817
bonds (distance) P-C4' energy: -36.476
flat angles C4'-P-C4' energy: -51.238
flat angles P-C4'-P energy: -30.787
tors. eta vs tors. theta energy: -52.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -690.628519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.628519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.628519 (E_RNA)
where:
Base-Base interactions energy: -477.730
where: short stacking energy: -205.979
Base-Backbone interact. energy: 0.864
local terms energy: -213.762805
where:
bonds (distance) C4'-P energy: -42.909
bonds (distance) P-C4' energy: -47.249
flat angles C4'-P-C4' energy: -46.339
flat angles P-C4'-P energy: -30.453
tors. eta vs tors. theta energy: -46.813
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: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -652.889806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.889806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.889806 (E_RNA)
where:
Base-Base interactions energy: -457.280
where: short stacking energy: -189.421
Base-Backbone interact. energy: -1.002
local terms energy: -194.607012
where:
bonds (distance) C4'-P energy: -32.661
bonds (distance) P-C4' energy: -46.737
flat angles C4'-P-C4' energy: -41.276
flat angles P-C4'-P energy: -29.446
tors. eta vs tors. theta energy: -44.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -600.392915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.392915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.392915 (E_RNA)
where:
Base-Base interactions energy: -391.134
where: short stacking energy: -185.632
Base-Backbone interact. energy: -0.319
local terms energy: -208.939642
where:
bonds (distance) C4'-P energy: -48.348
bonds (distance) P-C4' energy: -30.139
flat angles C4'-P-C4' energy: -44.988
flat angles P-C4'-P energy: -27.824
tors. eta vs tors. theta energy: -57.641
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: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -527.502468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.502468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.502468 (E_RNA)
where:
Base-Base interactions energy: -340.860
where: short stacking energy: -177.744
Base-Backbone interact. energy: -0.133
local terms energy: -186.509366
where:
bonds (distance) C4'-P energy: -45.132
bonds (distance) P-C4' energy: -32.546
flat angles C4'-P-C4' energy: -47.393
flat angles P-C4'-P energy: -21.760
tors. eta vs tors. theta energy: -39.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -425.112310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.112310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.112310 (E_RNA)
where:
Base-Base interactions energy: -261.907
where: short stacking energy: -120.660
Base-Backbone interact. energy: -1.836
local terms energy: -161.369768
where:
bonds (distance) C4'-P energy: -40.364
bonds (distance) P-C4' energy: -44.070
flat angles C4'-P-C4' energy: -39.677
flat angles P-C4'-P energy: -24.160
tors. eta vs tors. theta energy: -13.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -320.940179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.940179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.940179 (E_RNA)
where:
Base-Base interactions energy: -169.967
where: short stacking energy: -99.768
Base-Backbone interact. energy: -0.064
local terms energy: -150.909384
where:
bonds (distance) C4'-P energy: -34.304
bonds (distance) P-C4' energy: -44.606
flat angles C4'-P-C4' energy: -39.995
flat angles P-C4'-P energy: -23.879
tors. eta vs tors. theta energy: -8.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -263.500476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.500476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.500476 (E_RNA)
where:
Base-Base interactions energy: -133.643
where: short stacking energy: -87.854
Base-Backbone interact. energy: -0.804
local terms energy: -129.053290
where:
bonds (distance) C4'-P energy: -33.947
bonds (distance) P-C4' energy: -38.715
flat angles C4'-P-C4' energy: -38.463
flat angles P-C4'-P energy: -22.855
tors. eta vs tors. theta energy: 4.927
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: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -838.965347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.965347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.965347 (E_RNA)
where:
Base-Base interactions energy: -584.316
where: short stacking energy: -248.576
Base-Backbone interact. energy: -0.019
local terms energy: -254.629949
where:
bonds (distance) C4'-P energy: -42.028
bonds (distance) P-C4' energy: -46.847
flat angles C4'-P-C4' energy: -50.580
flat angles P-C4'-P energy: -41.581
tors. eta vs tors. theta energy: -73.594
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: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -763.154368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.154368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.154368 (E_RNA)
where:
Base-Base interactions energy: -540.210
where: short stacking energy: -219.504
Base-Backbone interact. energy: 0.255
local terms energy: -223.199238
where:
bonds (distance) C4'-P energy: -53.425
bonds (distance) P-C4' energy: -41.758
flat angles C4'-P-C4' energy: -40.956
flat angles P-C4'-P energy: -33.099
tors. eta vs tors. theta energy: -53.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -692.586557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.586557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.586557 (E_RNA)
where:
Base-Base interactions energy: -469.063
where: short stacking energy: -214.570
Base-Backbone interact. energy: 0.339
local terms energy: -223.863406
where:
bonds (distance) C4'-P energy: -43.681
bonds (distance) P-C4' energy: -46.669
flat angles C4'-P-C4' energy: -37.194
flat angles P-C4'-P energy: -40.081
tors. eta vs tors. theta energy: -56.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -684.866442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.866442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.866442 (E_RNA)
where:
Base-Base interactions energy: -474.703
where: short stacking energy: -194.597
Base-Backbone interact. energy: 0.249
local terms energy: -210.412718
where:
bonds (distance) C4'-P energy: -39.527
bonds (distance) P-C4' energy: -37.518
flat angles C4'-P-C4' energy: -53.774
flat angles P-C4'-P energy: -29.885
tors. eta vs tors. theta energy: -49.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -660.561175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.561175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.561175 (E_RNA)
where:
Base-Base interactions energy: -434.713
where: short stacking energy: -186.274
Base-Backbone interact. energy: -1.265
local terms energy: -224.582866
where:
bonds (distance) C4'-P energy: -47.615
bonds (distance) P-C4' energy: -47.440
flat angles C4'-P-C4' energy: -46.909
flat angles P-C4'-P energy: -29.676
tors. eta vs tors. theta energy: -52.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -555.082239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.082239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.082239 (E_RNA)
where:
Base-Base interactions energy: -349.908
where: short stacking energy: -172.318
Base-Backbone interact. energy: 1.159
local terms energy: -206.333670
where:
bonds (distance) C4'-P energy: -44.926
bonds (distance) P-C4' energy: -32.293
flat angles C4'-P-C4' energy: -52.601
flat angles P-C4'-P energy: -32.678
tors. eta vs tors. theta energy: -43.835
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: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -534.390804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.390804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.390804 (E_RNA)
where:
Base-Base interactions energy: -337.764
where: short stacking energy: -156.701
Base-Backbone interact. energy: -0.858
local terms energy: -195.768472
where:
bonds (distance) C4'-P energy: -43.440
bonds (distance) P-C4' energy: -33.417
flat angles C4'-P-C4' energy: -45.202
flat angles P-C4'-P energy: -36.458
tors. eta vs tors. theta energy: -37.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -475.544454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.544454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.544454 (E_RNA)
where:
Base-Base interactions energy: -291.835
where: short stacking energy: -130.792
Base-Backbone interact. energy: -0.675
local terms energy: -183.034045
where:
bonds (distance) C4'-P energy: -40.090
bonds (distance) P-C4' energy: -41.051
flat angles C4'-P-C4' energy: -42.493
flat angles P-C4'-P energy: -30.796
tors. eta vs tors. theta energy: -28.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -327.357003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.357003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.357003 (E_RNA)
where:
Base-Base interactions energy: -180.010
where: short stacking energy: -87.461
Base-Backbone interact. energy: 0.639
local terms energy: -147.985803
where:
bonds (distance) C4'-P energy: -34.512
bonds (distance) P-C4' energy: -43.034
flat angles C4'-P-C4' energy: -31.991
flat angles P-C4'-P energy: -25.423
tors. eta vs tors. theta energy: -13.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -280.281622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.281622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.281622 (E_RNA)
where:
Base-Base interactions energy: -151.765
where: short stacking energy: -102.437
Base-Backbone interact. energy: -1.224
local terms energy: -127.293249
where:
bonds (distance) C4'-P energy: -28.069
bonds (distance) P-C4' energy: -31.000
flat angles C4'-P-C4' energy: -33.995
flat angles P-C4'-P energy: -22.404
tors. eta vs tors. theta energy: -11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -836.689151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.689151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.689151 (E_RNA)
where:
Base-Base interactions energy: -581.840
where: short stacking energy: -263.920
Base-Backbone interact. energy: -0.647
local terms energy: -254.202378
where:
bonds (distance) C4'-P energy: -46.639
bonds (distance) P-C4' energy: -43.601
flat angles C4'-P-C4' energy: -50.648
flat angles P-C4'-P energy: -39.672
tors. eta vs tors. theta energy: -73.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -773.907339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.907339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.907339 (E_RNA)
where:
Base-Base interactions energy: -550.948
where: short stacking energy: -226.617
Base-Backbone interact. energy: -0.084
local terms energy: -222.875375
where:
bonds (distance) C4'-P energy: -41.725
bonds (distance) P-C4' energy: -47.254
flat angles C4'-P-C4' energy: -48.604
flat angles P-C4'-P energy: -31.855
tors. eta vs tors. theta energy: -53.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -707.276110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.276110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.276110 (E_RNA)
where:
Base-Base interactions energy: -484.471
where: short stacking energy: -215.849
Base-Backbone interact. energy: 0.819
local terms energy: -223.624788
where:
bonds (distance) C4'-P energy: -46.295
bonds (distance) P-C4' energy: -49.736
flat angles C4'-P-C4' energy: -46.177
flat angles P-C4'-P energy: -21.353
tors. eta vs tors. theta energy: -60.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -700.204225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.204225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.204225 (E_RNA)
where:
Base-Base interactions energy: -486.768
where: short stacking energy: -206.596
Base-Backbone interact. energy: 0.320
local terms energy: -213.756516
where:
bonds (distance) C4'-P energy: -36.436
bonds (distance) P-C4' energy: -48.620
flat angles C4'-P-C4' energy: -50.702
flat angles P-C4'-P energy: -30.200
tors. eta vs tors. theta energy: -47.799
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: 41
Temperature: 1.100000
Total energy: -642.397927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.397927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.397927 (E_RNA)
where:
Base-Base interactions energy: -431.099
where: short stacking energy: -178.849
Base-Backbone interact. energy: -3.073
local terms energy: -208.225967
where:
bonds (distance) C4'-P energy: -51.100
bonds (distance) P-C4' energy: -37.737
flat angles C4'-P-C4' energy: -48.046
flat angles P-C4'-P energy: -30.328
tors. eta vs tors. theta energy: -41.015
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: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -535.517863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.517863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.517863 (E_RNA)
where:
Base-Base interactions energy: -350.603
where: short stacking energy: -173.093
Base-Backbone interact. energy: -0.848
local terms energy: -184.066339
where:
bonds (distance) C4'-P energy: -40.259
bonds (distance) P-C4' energy: -41.472
flat angles C4'-P-C4' energy: -45.437
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: -35.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -506.824455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.824455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.824455 (E_RNA)
where:
Base-Base interactions energy: -336.835
where: short stacking energy: -163.787
Base-Backbone interact. energy: -0.587
local terms energy: -169.403247
where:
bonds (distance) C4'-P energy: -25.943
bonds (distance) P-C4' energy: -37.195
flat angles C4'-P-C4' energy: -43.091
flat angles P-C4'-P energy: -34.644
tors. eta vs tors. theta energy: -28.530
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: 41
Temperature: 1.250000
Total energy: -495.290472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.290472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.290472 (E_RNA)
where:
Base-Base interactions energy: -309.875
where: short stacking energy: -151.291
Base-Backbone interact. energy: -0.952
local terms energy: -184.463078
where:
bonds (distance) C4'-P energy: -38.675
bonds (distance) P-C4' energy: -33.571
flat angles C4'-P-C4' energy: -40.964
flat angles P-C4'-P energy: -30.759
tors. eta vs tors. theta energy: -40.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -351.934851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.934851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.934851 (E_RNA)
where:
Base-Base interactions energy: -196.566
where: short stacking energy: -100.675
Base-Backbone interact. energy: -1.144
local terms energy: -154.224057
where:
bonds (distance) C4'-P energy: -34.009
bonds (distance) P-C4' energy: -39.658
flat angles C4'-P-C4' energy: -38.957
flat angles P-C4'-P energy: -21.019
tors. eta vs tors. theta energy: -20.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -288.078793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.078793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.078793 (E_RNA)
where:
Base-Base interactions energy: -157.092
where: short stacking energy: -95.661
Base-Backbone interact. energy: -0.415
local terms energy: -130.572069
where:
bonds (distance) C4'-P energy: -29.779
bonds (distance) P-C4' energy: -41.232
flat angles C4'-P-C4' energy: -30.127
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -7.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -834.805345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.805345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.805345 (E_RNA)
where:
Base-Base interactions energy: -583.181
where: short stacking energy: -252.727
Base-Backbone interact. energy: -0.995
local terms energy: -250.629946
where:
bonds (distance) C4'-P energy: -46.625
bonds (distance) P-C4' energy: -41.926
flat angles C4'-P-C4' energy: -47.067
flat angles P-C4'-P energy: -37.571
tors. eta vs tors. theta energy: -77.441
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: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -762.747006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.747006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.747006 (E_RNA)
where:
Base-Base interactions energy: -529.235
where: short stacking energy: -225.744
Base-Backbone interact. energy: -2.246
local terms energy: -231.266297
where:
bonds (distance) C4'-P energy: -39.030
bonds (distance) P-C4' energy: -48.763
flat angles C4'-P-C4' energy: -53.895
flat angles P-C4'-P energy: -35.579
tors. eta vs tors. theta energy: -53.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -710.899533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.899533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.899533 (E_RNA)
where:
Base-Base interactions energy: -491.991
where: short stacking energy: -222.770
Base-Backbone interact. energy: -0.738
local terms energy: -218.170476
where:
bonds (distance) C4'-P energy: -41.968
bonds (distance) P-C4' energy: -41.713
flat angles C4'-P-C4' energy: -44.541
flat angles P-C4'-P energy: -34.810
tors. eta vs tors. theta energy: -55.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -701.762733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.762733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.762733 (E_RNA)
where:
Base-Base interactions energy: -511.012
where: short stacking energy: -204.487
Base-Backbone interact. energy: -0.535
local terms energy: -190.216295
where:
bonds (distance) C4'-P energy: -40.113
bonds (distance) P-C4' energy: -42.186
flat angles C4'-P-C4' energy: -36.224
flat angles P-C4'-P energy: -25.404
tors. eta vs tors. theta energy: -46.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -622.725080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.725080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.725080 (E_RNA)
where:
Base-Base interactions energy: -424.795
where: short stacking energy: -181.810
Base-Backbone interact. energy: -0.730
local terms energy: -197.200798
where:
bonds (distance) C4'-P energy: -30.890
bonds (distance) P-C4' energy: -40.124
flat angles C4'-P-C4' energy: -42.021
flat angles P-C4'-P energy: -33.566
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: 6, replica: 4
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -557.478103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.478103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.478103 (E_RNA)
where:
Base-Base interactions energy: -363.552
where: short stacking energy: -176.833
Base-Backbone interact. energy: 0.329
local terms energy: -194.254699
where:
bonds (distance) C4'-P energy: -39.477
bonds (distance) P-C4' energy: -37.219
flat angles C4'-P-C4' energy: -44.631
flat angles P-C4'-P energy: -33.775
tors. eta vs tors. theta energy: -39.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -508.363837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.363837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.363837 (E_RNA)
where:
Base-Base interactions energy: -329.098
where: short stacking energy: -130.772
Base-Backbone interact. energy: -0.379
local terms energy: -178.886994
where:
bonds (distance) C4'-P energy: -39.452
bonds (distance) P-C4' energy: -37.946
flat angles C4'-P-C4' energy: -45.848
flat angles P-C4'-P energy: -25.222
tors. eta vs tors. theta energy: -30.420
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: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -496.582892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.582892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.582892 (E_RNA)
where:
Base-Base interactions energy: -325.459
where: short stacking energy: -143.923
Base-Backbone interact. energy: -2.571
local terms energy: -168.552414
where:
bonds (distance) C4'-P energy: -29.259
bonds (distance) P-C4' energy: -44.966
flat angles C4'-P-C4' energy: -43.171
flat angles P-C4'-P energy: -27.137
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: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -365.844492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.844492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.844492 (E_RNA)
where:
Base-Base interactions energy: -193.714
where: short stacking energy: -101.936
Base-Backbone interact. energy: 0.717
local terms energy: -172.847514
where:
bonds (distance) C4'-P energy: -44.733
bonds (distance) P-C4' energy: -41.740
flat angles C4'-P-C4' energy: -40.702
flat angles P-C4'-P energy: -24.236
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -268.298891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.298891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.298891 (E_RNA)
where:
Base-Base interactions energy: -130.442
where: short stacking energy: -62.466
Base-Backbone interact. energy: -0.571
local terms energy: -137.286704
where:
bonds (distance) C4'-P energy: -48.229
bonds (distance) P-C4' energy: -37.825
flat angles C4'-P-C4' energy: -29.850
flat angles P-C4'-P energy: -21.955
tors. eta vs tors. theta energy: 0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -829.480337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.480337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.480337 (E_RNA)
where:
Base-Base interactions energy: -574.816
where: short stacking energy: -242.120
Base-Backbone interact. energy: -0.906
local terms energy: -253.758451
where:
bonds (distance) C4'-P energy: -46.870
bonds (distance) P-C4' energy: -45.319
flat angles C4'-P-C4' energy: -53.759
flat angles P-C4'-P energy: -37.530
tors. eta vs tors. theta energy: -70.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -757.810851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.810851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.810851 (E_RNA)
where:
Base-Base interactions energy: -523.242
where: short stacking energy: -211.271
Base-Backbone interact. energy: -1.164
local terms energy: -233.405585
where:
bonds (distance) C4'-P energy: -46.569
bonds (distance) P-C4' energy: -45.537
flat angles C4'-P-C4' energy: -49.819
flat angles P-C4'-P energy: -36.507
tors. eta vs tors. theta energy: -54.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -684.660173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.660173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.660173 (E_RNA)
where:
Base-Base interactions energy: -486.159
where: short stacking energy: -201.567
Base-Backbone interact. energy: -2.687
local terms energy: -195.813524
where:
bonds (distance) C4'-P energy: -43.070
bonds (distance) P-C4' energy: -38.401
flat angles C4'-P-C4' energy: -44.823
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -43.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -732.173990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.173990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.173990 (E_RNA)
where:
Base-Base interactions energy: -493.742
where: short stacking energy: -216.234
Base-Backbone interact. energy: -0.541
local terms energy: -237.890480
where:
bonds (distance) C4'-P energy: -40.354
bonds (distance) P-C4' energy: -54.491
flat angles C4'-P-C4' energy: -53.059
flat angles P-C4'-P energy: -37.537
tors. eta vs tors. theta energy: -52.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -673.219628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.219628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.219628 (E_RNA)
where:
Base-Base interactions energy: -453.375
where: short stacking energy: -190.220
Base-Backbone interact. energy: -0.064
local terms energy: -219.780832
where:
bonds (distance) C4'-P energy: -42.448
bonds (distance) P-C4' energy: -48.570
flat angles C4'-P-C4' energy: -50.536
flat angles P-C4'-P energy: -32.959
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: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -542.849402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.849402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.849402 (E_RNA)
where:
Base-Base interactions energy: -334.758
where: short stacking energy: -148.865
Base-Backbone interact. energy: -1.123
local terms energy: -206.967482
where:
bonds (distance) C4'-P energy: -48.382
bonds (distance) P-C4' energy: -48.112
flat angles C4'-P-C4' energy: -42.108
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: -35.591
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: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -551.503632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.503632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.503632 (E_RNA)
where:
Base-Base interactions energy: -365.845
where: short stacking energy: -166.910
Base-Backbone interact. energy: 0.555
local terms energy: -186.214079
where:
bonds (distance) C4'-P energy: -43.995
bonds (distance) P-C4' energy: -42.189
flat angles C4'-P-C4' energy: -35.963
flat angles P-C4'-P energy: -26.579
tors. eta vs tors. theta energy: -37.488
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: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -464.476349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.476349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.476349 (E_RNA)
where:
Base-Base interactions energy: -286.404
where: short stacking energy: -143.304
Base-Backbone interact. energy: -0.194
local terms energy: -177.877809
where:
bonds (distance) C4'-P energy: -38.699
bonds (distance) P-C4' energy: -47.468
flat angles C4'-P-C4' energy: -37.836
flat angles P-C4'-P energy: -22.039
tors. eta vs tors. theta energy: -31.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -341.125821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.125821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.125821 (E_RNA)
where:
Base-Base interactions energy: -178.734
where: short stacking energy: -110.527
Base-Backbone interact. energy: 1.688
local terms energy: -164.080056
where:
bonds (distance) C4'-P energy: -41.619
bonds (distance) P-C4' energy: -38.029
flat angles C4'-P-C4' energy: -44.153
flat angles P-C4'-P energy: -25.879
tors. eta vs tors. theta energy: -14.400
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: 3
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -307.430668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.430668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.430668 (E_RNA)
where:
Base-Base interactions energy: -163.281
where: short stacking energy: -87.427
Base-Backbone interact. energy: -1.253
local terms energy: -142.896848
where:
bonds (distance) C4'-P energy: -38.637
bonds (distance) P-C4' energy: -41.994
flat angles C4'-P-C4' energy: -35.958
flat angles P-C4'-P energy: -23.889
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: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -829.044369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.044369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.044369 (E_RNA)
where:
Base-Base interactions energy: -569.888
where: short stacking energy: -245.786
Base-Backbone interact. energy: -1.640
local terms energy: -257.515997
where:
bonds (distance) C4'-P energy: -47.055
bonds (distance) P-C4' energy: -46.003
flat angles C4'-P-C4' energy: -53.393
flat angles P-C4'-P energy: -32.840
tors. eta vs tors. theta energy: -78.224
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: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -732.762169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.762169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.762169 (E_RNA)
where:
Base-Base interactions energy: -504.728
where: short stacking energy: -204.325
Base-Backbone interact. energy: -1.673
local terms energy: -226.360624
where:
bonds (distance) C4'-P energy: -44.015
bonds (distance) P-C4' energy: -51.812
flat angles C4'-P-C4' energy: -48.332
flat angles P-C4'-P energy: -30.278
tors. eta vs tors. theta energy: -51.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -715.146204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.146204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.146204 (E_RNA)
where:
Base-Base interactions energy: -487.590
where: short stacking energy: -237.614
Base-Backbone interact. energy: -0.266
local terms energy: -227.289862
where:
bonds (distance) C4'-P energy: -35.404
bonds (distance) P-C4' energy: -44.708
flat angles C4'-P-C4' energy: -49.911
flat angles P-C4'-P energy: -34.389
tors. eta vs tors. theta energy: -62.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -690.569064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.569064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.569064 (E_RNA)
where:
Base-Base interactions energy: -484.784
where: short stacking energy: -189.842
Base-Backbone interact. energy: -0.843
local terms energy: -204.942261
where:
bonds (distance) C4'-P energy: -39.752
bonds (distance) P-C4' energy: -45.530
flat angles C4'-P-C4' energy: -48.229
flat angles P-C4'-P energy: -26.445
tors. eta vs tors. theta energy: -44.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -684.666183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.666183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.666183 (E_RNA)
where:
Base-Base interactions energy: -469.694
where: short stacking energy: -207.694
Base-Backbone interact. energy: -1.046
local terms energy: -213.925956
where:
bonds (distance) C4'-P energy: -41.612
bonds (distance) P-C4' energy: -38.265
flat angles C4'-P-C4' energy: -45.806
flat angles P-C4'-P energy: -35.187
tors. eta vs tors. theta energy: -53.056
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: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -562.455035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.455035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.455035 (E_RNA)
where:
Base-Base interactions energy: -371.326
where: short stacking energy: -169.781
Base-Backbone interact. energy: -2.290
local terms energy: -188.838547
where:
bonds (distance) C4'-P energy: -43.405
bonds (distance) P-C4' energy: -33.060
flat angles C4'-P-C4' energy: -44.760
flat angles P-C4'-P energy: -31.691
tors. eta vs tors. theta energy: -35.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -551.951654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.951654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.951654 (E_RNA)
where:
Base-Base interactions energy: -358.037
where: short stacking energy: -159.201
Base-Backbone interact. energy: -0.767
local terms energy: -193.148423
where:
bonds (distance) C4'-P energy: -47.398
bonds (distance) P-C4' energy: -44.718
flat angles C4'-P-C4' energy: -40.427
flat angles P-C4'-P energy: -25.892
tors. eta vs tors. theta energy: -34.713
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: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -450.433328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.433328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.433328 (E_RNA)
where:
Base-Base interactions energy: -278.868
where: short stacking energy: -130.099
Base-Backbone interact. energy: -0.940
local terms energy: -170.625224
where:
bonds (distance) C4'-P energy: -36.935
bonds (distance) P-C4' energy: -44.997
flat angles C4'-P-C4' energy: -45.340
flat angles P-C4'-P energy: -22.276
tors. eta vs tors. theta energy: -21.077
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: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -373.574388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.574388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.574388 (E_RNA)
where:
Base-Base interactions energy: -225.322
where: short stacking energy: -106.324
Base-Backbone interact. energy: -2.085
local terms energy: -146.166871
where:
bonds (distance) C4'-P energy: -39.957
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -36.811
flat angles P-C4'-P energy: -21.135
tors. eta vs tors. theta energy: -23.653
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: 10, replica: 3
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -304.042704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.042704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.042704 (E_RNA)
where:
Base-Base interactions energy: -166.373
where: short stacking energy: -97.910
Base-Backbone interact. energy: -0.524
local terms energy: -137.145581
where:
bonds (distance) C4'-P energy: -32.791
bonds (distance) P-C4' energy: -38.082
flat angles C4'-P-C4' energy: -32.998
flat angles P-C4'-P energy: -25.216
tors. eta vs tors. theta energy: -8.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -841.277492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.277492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.277492 (E_RNA)
where:
Base-Base interactions energy: -581.717
where: short stacking energy: -246.782
Base-Backbone interact. energy: -0.841
local terms energy: -258.719558
where:
bonds (distance) C4'-P energy: -49.250
bonds (distance) P-C4' energy: -51.154
flat angles C4'-P-C4' energy: -52.177
flat angles P-C4'-P energy: -35.503
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: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -748.615266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.615266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.615266 (E_RNA)
where:
Base-Base interactions energy: -515.637
where: short stacking energy: -204.357
Base-Backbone interact. energy: -2.174
local terms energy: -230.804495
where:
bonds (distance) C4'-P energy: -47.565
bonds (distance) P-C4' energy: -44.982
flat angles C4'-P-C4' energy: -49.169
flat angles P-C4'-P energy: -40.410
tors. eta vs tors. theta energy: -48.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -705.562971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.562971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.562971 (E_RNA)
where:
Base-Base interactions energy: -475.830
where: short stacking energy: -207.991
Base-Backbone interact. energy: -0.480
local terms energy: -229.253453
where:
bonds (distance) C4'-P energy: -40.024
bonds (distance) P-C4' energy: -38.534
flat angles C4'-P-C4' energy: -53.221
flat angles P-C4'-P energy: -40.002
tors. eta vs tors. theta energy: -57.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -704.370963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.370963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.370963 (E_RNA)
where:
Base-Base interactions energy: -481.858
where: short stacking energy: -196.823
Base-Backbone interact. energy: -2.322
local terms energy: -220.191472
where:
bonds (distance) C4'-P energy: -44.319
bonds (distance) P-C4' energy: -41.232
flat angles C4'-P-C4' energy: -53.424
flat angles P-C4'-P energy: -29.209
tors. eta vs tors. theta energy: -52.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -663.651014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.651014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.651014 (E_RNA)
where:
Base-Base interactions energy: -457.627
where: short stacking energy: -199.864
Base-Backbone interact. energy: -1.551
local terms energy: -204.473239
where:
bonds (distance) C4'-P energy: -35.299
bonds (distance) P-C4' energy: -43.979
flat angles C4'-P-C4' energy: -55.076
flat angles P-C4'-P energy: -18.763
tors. eta vs tors. theta energy: -51.356
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: 45
Temperature: 1.150000
Total energy: -577.493006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.493006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.493006 (E_RNA)
where:
Base-Base interactions energy: -388.631
where: short stacking energy: -159.168
Base-Backbone interact. energy: -0.658
local terms energy: -188.203195
where:
bonds (distance) C4'-P energy: -40.622
bonds (distance) P-C4' energy: -36.200
flat angles C4'-P-C4' energy: -50.198
flat angles P-C4'-P energy: -28.793
tors. eta vs tors. theta energy: -32.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -534.393516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.393516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.393516 (E_RNA)
where:
Base-Base interactions energy: -335.346
where: short stacking energy: -154.012
Base-Backbone interact. energy: 1.006
local terms energy: -200.053586
where:
bonds (distance) C4'-P energy: -46.811
bonds (distance) P-C4' energy: -45.730
flat angles C4'-P-C4' energy: -36.273
flat angles P-C4'-P energy: -30.289
tors. eta vs tors. theta energy: -40.951
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: 7
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -461.481426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.481426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.481426 (E_RNA)
where:
Base-Base interactions energy: -290.927
where: short stacking energy: -136.540
Base-Backbone interact. energy: -0.395
local terms energy: -170.159449
where:
bonds (distance) C4'-P energy: -45.480
bonds (distance) P-C4' energy: -29.382
flat angles C4'-P-C4' energy: -44.106
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -28.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -364.507205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.507205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.507205 (E_RNA)
where:
Base-Base interactions energy: -194.979
where: short stacking energy: -106.936
Base-Backbone interact. energy: -0.484
local terms energy: -169.044431
where:
bonds (distance) C4'-P energy: -37.724
bonds (distance) P-C4' energy: -43.370
flat angles C4'-P-C4' energy: -44.702
flat angles P-C4'-P energy: -28.316
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -301.044017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.044017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.044017 (E_RNA)
where:
Base-Base interactions energy: -166.725
where: short stacking energy: -74.256
Base-Backbone interact. energy: -2.070
local terms energy: -132.249230
where:
bonds (distance) C4'-P energy: -34.311
bonds (distance) P-C4' energy: -42.544
flat angles C4'-P-C4' energy: -38.385
flat angles P-C4'-P energy: -25.055
tors. eta vs tors. theta energy: 8.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -859.678784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.678784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.678784 (E_RNA)
where:
Base-Base interactions energy: -586.213
where: short stacking energy: -259.860
Base-Backbone interact. energy: -0.450
local terms energy: -273.015242
where:
bonds (distance) C4'-P energy: -52.262
bonds (distance) P-C4' energy: -52.651
flat angles C4'-P-C4' energy: -55.246
flat angles P-C4'-P energy: -38.459
tors. eta vs tors. theta energy: -74.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -755.662907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.662907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.662907 (E_RNA)
where:
Base-Base interactions energy: -517.972
where: short stacking energy: -206.654
Base-Backbone interact. energy: -2.156
local terms energy: -235.535008
where:
bonds (distance) C4'-P energy: -44.955
bonds (distance) P-C4' energy: -48.960
flat angles C4'-P-C4' energy: -47.603
flat angles P-C4'-P energy: -29.662
tors. eta vs tors. theta energy: -64.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -724.802346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.802346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.802346 (E_RNA)
where:
Base-Base interactions energy: -500.183
where: short stacking energy: -206.765
Base-Backbone interact. energy: -0.455
local terms energy: -224.164000
where:
bonds (distance) C4'-P energy: -43.048
bonds (distance) P-C4' energy: -43.454
flat angles C4'-P-C4' energy: -47.378
flat angles P-C4'-P energy: -31.118
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: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -677.859691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.859691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.859691 (E_RNA)
where:
Base-Base interactions energy: -463.719
where: short stacking energy: -216.636
Base-Backbone interact. energy: -0.724
local terms energy: -213.417056
where:
bonds (distance) C4'-P energy: -43.881
bonds (distance) P-C4' energy: -47.528
flat angles C4'-P-C4' energy: -47.691
flat angles P-C4'-P energy: -24.218
tors. eta vs tors. theta energy: -50.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -651.618250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.618250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.618250 (E_RNA)
where:
Base-Base interactions energy: -452.473
where: short stacking energy: -191.937
Base-Backbone interact. energy: 1.441
local terms energy: -200.585759
where:
bonds (distance) C4'-P energy: -33.728
bonds (distance) P-C4' energy: -42.086
flat angles C4'-P-C4' energy: -53.416
flat angles P-C4'-P energy: -25.904
tors. eta vs tors. theta energy: -45.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -653.525145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.525145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.525145 (E_RNA)
where:
Base-Base interactions energy: -447.097
where: short stacking energy: -159.680
Base-Backbone interact. energy: 1.161
local terms energy: -207.589557
where:
bonds (distance) C4'-P energy: -42.905
bonds (distance) P-C4' energy: -39.210
flat angles C4'-P-C4' energy: -49.543
flat angles P-C4'-P energy: -31.677
tors. eta vs tors. theta energy: -44.255
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: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -520.814804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.814804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.814804 (E_RNA)
where:
Base-Base interactions energy: -334.838
where: short stacking energy: -143.266
Base-Backbone interact. energy: 0.689
local terms energy: -186.666440
where:
bonds (distance) C4'-P energy: -36.384
bonds (distance) P-C4' energy: -41.384
flat angles C4'-P-C4' energy: -43.936
flat angles P-C4'-P energy: -38.140
tors. eta vs tors. theta energy: -26.822
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: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -466.963645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.963645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.963645 (E_RNA)
where:
Base-Base interactions energy: -293.898
where: short stacking energy: -125.579
Base-Backbone interact. energy: 0.404
local terms energy: -173.469418
where:
bonds (distance) C4'-P energy: -34.056
bonds (distance) P-C4' energy: -44.388
flat angles C4'-P-C4' energy: -38.405
flat angles P-C4'-P energy: -28.447
tors. eta vs tors. theta energy: -28.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -343.058167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.058167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.058167 (E_RNA)
where:
Base-Base interactions energy: -180.352
where: short stacking energy: -97.056
Base-Backbone interact. energy: 0.011
local terms energy: -162.716941
where:
bonds (distance) C4'-P energy: -38.137
bonds (distance) P-C4' energy: -31.582
flat angles C4'-P-C4' energy: -39.920
flat angles P-C4'-P energy: -31.891
tors. eta vs tors. theta energy: -21.186
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: 46
Temperature: 1.350000
Total energy: -280.382364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.382364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.382364 (E_RNA)
where:
Base-Base interactions energy: -133.836
where: short stacking energy: -89.291
Base-Backbone interact. energy: 5.505
local terms energy: -152.051862
where:
bonds (distance) C4'-P energy: -39.567
bonds (distance) P-C4' energy: -39.717
flat angles C4'-P-C4' energy: -42.196
flat angles P-C4'-P energy: -20.589
tors. eta vs tors. theta energy: -9.983
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: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -852.099337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.099337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.099337 (E_RNA)
where:
Base-Base interactions energy: -583.742
where: short stacking energy: -258.073
Base-Backbone interact. energy: -1.146
local terms energy: -267.211370
where:
bonds (distance) C4'-P energy: -39.209
bonds (distance) P-C4' energy: -58.046
flat angles C4'-P-C4' energy: -55.939
flat angles P-C4'-P energy: -35.840
tors. eta vs tors. theta energy: -78.177
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: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -774.618631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.618631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.618631 (E_RNA)
where:
Base-Base interactions energy: -539.561
where: short stacking energy: -220.245
Base-Backbone interact. energy: -1.745
local terms energy: -233.313144
where:
bonds (distance) C4'-P energy: -46.277
bonds (distance) P-C4' energy: -44.512
flat angles C4'-P-C4' energy: -49.584
flat angles P-C4'-P energy: -39.509
tors. eta vs tors. theta energy: -53.431
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: 3, replica: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -715.846952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.846952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.846952 (E_RNA)
where:
Base-Base interactions energy: -486.649
where: short stacking energy: -199.069
Base-Backbone interact. energy: -1.406
local terms energy: -227.791325
where:
bonds (distance) C4'-P energy: -44.696
bonds (distance) P-C4' energy: -46.796
flat angles C4'-P-C4' energy: -49.971
flat angles P-C4'-P energy: -31.590
tors. eta vs tors. theta energy: -54.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -660.391158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.391158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.391158 (E_RNA)
where:
Base-Base interactions energy: -438.314
where: short stacking energy: -201.922
Base-Backbone interact. energy: -0.950
local terms energy: -221.126926
where:
bonds (distance) C4'-P energy: -38.334
bonds (distance) P-C4' energy: -51.923
flat angles C4'-P-C4' energy: -46.489
flat angles P-C4'-P energy: -32.843
tors. eta vs tors. theta energy: -51.537
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: 47
Temperature: 1.100000
Total energy: -686.150680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.150680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.150680 (E_RNA)
where:
Base-Base interactions energy: -462.186
where: short stacking energy: -212.929
Base-Backbone interact. energy: 0.528
local terms energy: -224.492154
where:
bonds (distance) C4'-P energy: -44.429
bonds (distance) P-C4' energy: -40.284
flat angles C4'-P-C4' energy: -47.856
flat angles P-C4'-P energy: -30.497
tors. eta vs tors. theta energy: -61.426
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: 6, replica: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -594.248789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.248789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.248789 (E_RNA)
where:
Base-Base interactions energy: -396.048
where: short stacking energy: -194.990
Base-Backbone interact. energy: -1.371
local terms energy: -196.829251
where:
bonds (distance) C4'-P energy: -44.747
bonds (distance) P-C4' energy: -39.610
flat angles C4'-P-C4' energy: -39.676
flat angles P-C4'-P energy: -26.728
tors. eta vs tors. theta energy: -46.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -658.970366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.970366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.970366 (E_RNA)
where:
Base-Base interactions energy: -456.557
where: short stacking energy: -189.866
Base-Backbone interact. energy: -1.470
local terms energy: -200.943649
where:
bonds (distance) C4'-P energy: -42.864
bonds (distance) P-C4' energy: -37.809
flat angles C4'-P-C4' energy: -47.801
flat angles P-C4'-P energy: -32.662
tors. eta vs tors. theta energy: -39.808
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: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -515.989713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.989713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.989713 (E_RNA)
where:
Base-Base interactions energy: -336.446
where: short stacking energy: -158.248
Base-Backbone interact. energy: -0.338
local terms energy: -179.205105
where:
bonds (distance) C4'-P energy: -43.584
bonds (distance) P-C4' energy: -37.708
flat angles C4'-P-C4' energy: -40.943
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: -39.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -310.497449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.497449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.497449 (E_RNA)
where:
Base-Base interactions energy: -177.967
where: short stacking energy: -94.292
Base-Backbone interact. energy: 1.172
local terms energy: -133.702314
where:
bonds (distance) C4'-P energy: -38.116
bonds (distance) P-C4' energy: -47.521
flat angles C4'-P-C4' energy: -27.333
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -6.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -327.106579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.106579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.106579 (E_RNA)
where:
Base-Base interactions energy: -195.149
where: short stacking energy: -99.645
Base-Backbone interact. energy: 0.544
local terms energy: -132.501032
where:
bonds (distance) C4'-P energy: -36.854
bonds (distance) P-C4' energy: -29.303
flat angles C4'-P-C4' energy: -34.485
flat angles P-C4'-P energy: -29.405
tors. eta vs tors. theta energy: -2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -848.511942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.511942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.511942 (E_RNA)
where:
Base-Base interactions energy: -575.367
where: short stacking energy: -251.841
Base-Backbone interact. energy: -0.529
local terms energy: -272.615881
where:
bonds (distance) C4'-P energy: -48.349
bonds (distance) P-C4' energy: -51.747
flat angles C4'-P-C4' energy: -55.914
flat angles P-C4'-P energy: -40.083
tors. eta vs tors. theta energy: -76.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -758.715276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.715276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.715276 (E_RNA)
where:
Base-Base interactions energy: -523.422
where: short stacking energy: -222.855
Base-Backbone interact. energy: -1.713
local terms energy: -233.580796
where:
bonds (distance) C4'-P energy: -45.632
bonds (distance) P-C4' energy: -40.466
flat angles C4'-P-C4' energy: -52.350
flat angles P-C4'-P energy: -35.637
tors. eta vs tors. theta energy: -59.496
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: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -721.301128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.301128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.301128 (E_RNA)
where:
Base-Base interactions energy: -515.068
where: short stacking energy: -197.972
Base-Backbone interact. energy: -1.261
local terms energy: -204.971579
where:
bonds (distance) C4'-P energy: -46.135
bonds (distance) P-C4' energy: -39.090
flat angles C4'-P-C4' energy: -48.433
flat angles P-C4'-P energy: -26.216
tors. eta vs tors. theta energy: -45.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -667.774863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.774863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.774863 (E_RNA)
where:
Base-Base interactions energy: -441.161
where: short stacking energy: -188.724
Base-Backbone interact. energy: 0.268
local terms energy: -226.882150
where:
bonds (distance) C4'-P energy: -50.071
bonds (distance) P-C4' energy: -44.054
flat angles C4'-P-C4' energy: -46.558
flat angles P-C4'-P energy: -35.152
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: 5, replica: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -658.958871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.958871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.958871 (E_RNA)
where:
Base-Base interactions energy: -446.993
where: short stacking energy: -187.875
Base-Backbone interact. energy: -2.167
local terms energy: -209.798920
where:
bonds (distance) C4'-P energy: -48.749
bonds (distance) P-C4' energy: -45.612
flat angles C4'-P-C4' energy: -44.034
flat angles P-C4'-P energy: -27.478
tors. eta vs tors. theta energy: -43.925
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: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -595.297304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.297304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.297304 (E_RNA)
where:
Base-Base interactions energy: -374.059
where: short stacking energy: -192.260
Base-Backbone interact. energy: -0.280
local terms energy: -220.958481
where:
bonds (distance) C4'-P energy: -45.948
bonds (distance) P-C4' energy: -47.605
flat angles C4'-P-C4' energy: -46.807
flat angles P-C4'-P energy: -34.827
tors. eta vs tors. theta energy: -45.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -628.451991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.451991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.451991 (E_RNA)
where:
Base-Base interactions energy: -438.296
where: short stacking energy: -185.704
Base-Backbone interact. energy: 0.523
local terms energy: -190.679257
where:
bonds (distance) C4'-P energy: -34.690
bonds (distance) P-C4' energy: -33.732
flat angles C4'-P-C4' energy: -48.561
flat angles P-C4'-P energy: -25.376
tors. eta vs tors. theta energy: -48.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -482.571595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.571595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.571595 (E_RNA)
where:
Base-Base interactions energy: -288.798
where: short stacking energy: -139.863
Base-Backbone interact. energy: 1.616
local terms energy: -195.389928
where:
bonds (distance) C4'-P energy: -42.730
bonds (distance) P-C4' energy: -49.114
flat angles C4'-P-C4' energy: -43.185
flat angles P-C4'-P energy: -30.775
tors. eta vs tors. theta energy: -29.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -398.950349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.950349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.950349 (E_RNA)
where:
Base-Base interactions energy: -246.475
where: short stacking energy: -111.227
Base-Backbone interact. energy: -1.234
local terms energy: -151.240911
where:
bonds (distance) C4'-P energy: -24.679
bonds (distance) P-C4' energy: -38.923
flat angles C4'-P-C4' energy: -40.738
flat angles P-C4'-P energy: -30.224
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -290.029352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.029352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.029352 (E_RNA)
where:
Base-Base interactions energy: -151.553
where: short stacking energy: -88.240
Base-Backbone interact. energy: 2.911
local terms energy: -141.387107
where:
bonds (distance) C4'-P energy: -39.779
bonds (distance) P-C4' energy: -37.335
flat angles C4'-P-C4' energy: -33.298
flat angles P-C4'-P energy: -24.227
tors. eta vs tors. theta energy: -6.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -849.599821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.599821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.599821 (E_RNA)
where:
Base-Base interactions energy: -601.303
where: short stacking energy: -253.041
Base-Backbone interact. energy: 0.585
local terms energy: -248.881371
where:
bonds (distance) C4'-P energy: -47.726
bonds (distance) P-C4' energy: -44.691
flat angles C4'-P-C4' energy: -50.027
flat angles P-C4'-P energy: -37.031
tors. eta vs tors. theta energy: -69.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -771.819401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.819401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.819401 (E_RNA)
where:
Base-Base interactions energy: -537.510
where: short stacking energy: -232.749
Base-Backbone interact. energy: -0.966
local terms energy: -233.343826
where:
bonds (distance) C4'-P energy: -44.160
bonds (distance) P-C4' energy: -46.493
flat angles C4'-P-C4' energy: -53.995
flat angles P-C4'-P energy: -28.382
tors. eta vs tors. theta energy: -60.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -713.759798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.759798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.759798 (E_RNA)
where:
Base-Base interactions energy: -477.818
where: short stacking energy: -194.076
Base-Backbone interact. energy: -3.294
local terms energy: -232.647841
where:
bonds (distance) C4'-P energy: -43.664
bonds (distance) P-C4' energy: -45.051
flat angles C4'-P-C4' energy: -52.964
flat angles P-C4'-P energy: -37.055
tors. eta vs tors. theta energy: -53.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -684.042833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.042833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.042833 (E_RNA)
where:
Base-Base interactions energy: -457.539
where: short stacking energy: -198.369
Base-Backbone interact. energy: -1.000
local terms energy: -225.504060
where:
bonds (distance) C4'-P energy: -42.613
bonds (distance) P-C4' energy: -47.913
flat angles C4'-P-C4' energy: -47.994
flat angles P-C4'-P energy: -31.325
tors. eta vs tors. theta energy: -55.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -655.930206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.930206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.930206 (E_RNA)
where:
Base-Base interactions energy: -443.690
where: short stacking energy: -201.706
Base-Backbone interact. energy: -0.110
local terms energy: -212.130523
where:
bonds (distance) C4'-P energy: -38.845
bonds (distance) P-C4' energy: -43.745
flat angles C4'-P-C4' energy: -49.956
flat angles P-C4'-P energy: -29.780
tors. eta vs tors. theta energy: -49.805
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: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -594.685281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.685281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.685281 (E_RNA)
where:
Base-Base interactions energy: -390.365
where: short stacking energy: -171.281
Base-Backbone interact. energy: -0.246
local terms energy: -204.074829
where:
bonds (distance) C4'-P energy: -42.197
bonds (distance) P-C4' energy: -45.431
flat angles C4'-P-C4' energy: -46.961
flat angles P-C4'-P energy: -25.573
tors. eta vs tors. theta energy: -43.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -564.550788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.550788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.550788 (E_RNA)
where:
Base-Base interactions energy: -388.015
where: short stacking energy: -153.053
Base-Backbone interact. energy: 0.006
local terms energy: -176.542291
where:
bonds (distance) C4'-P energy: -34.706
bonds (distance) P-C4' energy: -42.059
flat angles C4'-P-C4' energy: -46.782
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -33.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -413.024360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.024360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.024360 (E_RNA)
where:
Base-Base interactions energy: -246.142
where: short stacking energy: -121.246
Base-Backbone interact. energy: 0.451
local terms energy: -167.333564
where:
bonds (distance) C4'-P energy: -44.284
bonds (distance) P-C4' energy: -41.540
flat angles C4'-P-C4' energy: -46.378
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -20.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -441.843188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.843188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.843188 (E_RNA)
where:
Base-Base interactions energy: -291.892
where: short stacking energy: -143.536
Base-Backbone interact. energy: -0.136
local terms energy: -149.815205
where:
bonds (distance) C4'-P energy: -36.456
bonds (distance) P-C4' energy: -38.551
flat angles C4'-P-C4' energy: -28.798
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -28.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -276.493828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.493828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.493828 (E_RNA)
where:
Base-Base interactions energy: -148.948
where: short stacking energy: -75.039
Base-Backbone interact. energy: -2.014
local terms energy: -125.532138
where:
bonds (distance) C4'-P energy: -34.461
bonds (distance) P-C4' energy: -33.933
flat angles C4'-P-C4' energy: -37.173
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -4.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -850.207648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.207648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.207648 (E_RNA)
where:
Base-Base interactions energy: -584.914
where: short stacking energy: -259.157
Base-Backbone interact. energy: -0.896
local terms energy: -264.397988
where:
bonds (distance) C4'-P energy: -46.688
bonds (distance) P-C4' energy: -49.095
flat angles C4'-P-C4' energy: -53.355
flat angles P-C4'-P energy: -40.221
tors. eta vs tors. theta energy: -75.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -770.606991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.606991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.606991 (E_RNA)
where:
Base-Base interactions energy: -540.912
where: short stacking energy: -227.802
Base-Backbone interact. energy: -1.577
local terms energy: -228.118125
where:
bonds (distance) C4'-P energy: -41.760
bonds (distance) P-C4' energy: -43.789
flat angles C4'-P-C4' energy: -43.284
flat angles P-C4'-P energy: -36.631
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: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -718.027026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.027026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.027026 (E_RNA)
where:
Base-Base interactions energy: -485.546
where: short stacking energy: -200.194
Base-Backbone interact. energy: -0.032
local terms energy: -232.448879
where:
bonds (distance) C4'-P energy: -43.204
bonds (distance) P-C4' energy: -42.905
flat angles C4'-P-C4' energy: -52.076
flat angles P-C4'-P energy: -37.128
tors. eta vs tors. theta energy: -57.136
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: 4, replica: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -674.977059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.977059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.977059 (E_RNA)
where:
Base-Base interactions energy: -468.110
where: short stacking energy: -189.042
Base-Backbone interact. energy: -1.771
local terms energy: -205.095535
where:
bonds (distance) C4'-P energy: -38.007
bonds (distance) P-C4' energy: -35.057
flat angles C4'-P-C4' energy: -47.194
flat angles P-C4'-P energy: -27.567
tors. eta vs tors. theta energy: -57.270
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: 50
Temperature: 1.100000
Total energy: -665.283191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.283191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.283191 (E_RNA)
where:
Base-Base interactions energy: -454.772
where: short stacking energy: -194.860
Base-Backbone interact. energy: 2.746
local terms energy: -213.257552
where:
bonds (distance) C4'-P energy: -49.158
bonds (distance) P-C4' energy: -42.867
flat angles C4'-P-C4' energy: -41.331
flat angles P-C4'-P energy: -27.856
tors. eta vs tors. theta energy: -52.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -593.151905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.151905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.151905 (E_RNA)
where:
Base-Base interactions energy: -396.796
where: short stacking energy: -196.996
Base-Backbone interact. energy: -1.121
local terms energy: -195.234884
where:
bonds (distance) C4'-P energy: -35.184
bonds (distance) P-C4' energy: -41.770
flat angles C4'-P-C4' energy: -49.720
flat angles P-C4'-P energy: -26.209
tors. eta vs tors. theta energy: -42.353
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: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -593.714997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.714997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.714997 (E_RNA)
where:
Base-Base interactions energy: -400.317
where: short stacking energy: -165.190
Base-Backbone interact. energy: -0.918
local terms energy: -192.479939
where:
bonds (distance) C4'-P energy: -38.346
bonds (distance) P-C4' energy: -39.550
flat angles C4'-P-C4' energy: -48.779
flat angles P-C4'-P energy: -24.402
tors. eta vs tors. theta energy: -41.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -416.101966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.101966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.101966 (E_RNA)
where:
Base-Base interactions energy: -239.820
where: short stacking energy: -123.356
Base-Backbone interact. energy: -0.113
local terms energy: -176.169123
where:
bonds (distance) C4'-P energy: -40.255
bonds (distance) P-C4' energy: -45.462
flat angles C4'-P-C4' energy: -34.622
flat angles P-C4'-P energy: -22.625
tors. eta vs tors. theta energy: -33.205
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: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -414.137803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.137803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.137803 (E_RNA)
where:
Base-Base interactions energy: -248.275
where: short stacking energy: -111.979
Base-Backbone interact. energy: -0.096
local terms energy: -165.767221
where:
bonds (distance) C4'-P energy: -34.232
bonds (distance) P-C4' energy: -46.513
flat angles C4'-P-C4' energy: -35.347
flat angles P-C4'-P energy: -25.956
tors. eta vs tors. theta energy: -23.719
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: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -280.757435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.757435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.757435 (E_RNA)
where:
Base-Base interactions energy: -128.600
where: short stacking energy: -86.541
Base-Backbone interact. energy: -0.792
local terms energy: -151.364866
where:
bonds (distance) C4'-P energy: -30.142
bonds (distance) P-C4' energy: -47.774
flat angles C4'-P-C4' energy: -39.848
flat angles P-C4'-P energy: -26.282
tors. eta vs tors. theta energy: -7.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -847.388905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.388905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.388905 (E_RNA)
where:
Base-Base interactions energy: -579.451
where: short stacking energy: -253.044
Base-Backbone interact. energy: -2.489
local terms energy: -265.448351
where:
bonds (distance) C4'-P energy: -46.173
bonds (distance) P-C4' energy: -44.841
flat angles C4'-P-C4' energy: -56.481
flat angles P-C4'-P energy: -40.676
tors. eta vs tors. theta energy: -77.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -789.457634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.457634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.457634 (E_RNA)
where:
Base-Base interactions energy: -541.901
where: short stacking energy: -227.091
Base-Backbone interact. energy: -0.801
local terms energy: -246.755322
where:
bonds (distance) C4'-P energy: -44.142
bonds (distance) P-C4' energy: -50.147
flat angles C4'-P-C4' energy: -55.076
flat angles P-C4'-P energy: -25.744
tors. eta vs tors. theta energy: -71.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -727.125323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.125323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.125323 (E_RNA)
where:
Base-Base interactions energy: -508.080
where: short stacking energy: -202.790
Base-Backbone interact. energy: -0.570
local terms energy: -218.475321
where:
bonds (distance) C4'-P energy: -37.415
bonds (distance) P-C4' energy: -44.496
flat angles C4'-P-C4' energy: -51.039
flat angles P-C4'-P energy: -34.518
tors. eta vs tors. theta energy: -51.007
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: 9
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -682.916520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.916520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.916520 (E_RNA)
where:
Base-Base interactions energy: -469.674
where: short stacking energy: -199.226
Base-Backbone interact. energy: 0.618
local terms energy: -213.860407
where:
bonds (distance) C4'-P energy: -38.636
bonds (distance) P-C4' energy: -44.205
flat angles C4'-P-C4' energy: -40.593
flat angles P-C4'-P energy: -32.348
tors. eta vs tors. theta energy: -58.078
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: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -670.830981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.830981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.830981 (E_RNA)
where:
Base-Base interactions energy: -456.277
where: short stacking energy: -206.828
Base-Backbone interact. energy: -0.047
local terms energy: -214.506439
where:
bonds (distance) C4'-P energy: -37.241
bonds (distance) P-C4' energy: -46.292
flat angles C4'-P-C4' energy: -52.975
flat angles P-C4'-P energy: -33.978
tors. eta vs tors. theta energy: -44.020
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: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -615.776009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.776009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.776009 (E_RNA)
where:
Base-Base interactions energy: -422.533
where: short stacking energy: -182.832
Base-Backbone interact. energy: 0.313
local terms energy: -193.556517
where:
bonds (distance) C4'-P energy: -35.721
bonds (distance) P-C4' energy: -36.924
flat angles C4'-P-C4' energy: -45.116
flat angles P-C4'-P energy: -33.847
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: 7, replica: 4
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -589.546113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.546113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.546113 (E_RNA)
where:
Base-Base interactions energy: -389.117
where: short stacking energy: -176.022
Base-Backbone interact. energy: -2.741
local terms energy: -197.688151
where:
bonds (distance) C4'-P energy: -43.721
bonds (distance) P-C4' energy: -31.060
flat angles C4'-P-C4' energy: -39.559
flat angles P-C4'-P energy: -33.059
tors. eta vs tors. theta energy: -50.289
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: 51
Temperature: 1.250000
Total energy: -506.489256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.489256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.489256 (E_RNA)
where:
Base-Base interactions energy: -329.775
where: short stacking energy: -163.128
Base-Backbone interact. energy: -0.177
local terms energy: -176.537416
where:
bonds (distance) C4'-P energy: -37.859
bonds (distance) P-C4' energy: -38.592
flat angles C4'-P-C4' energy: -43.856
flat angles P-C4'-P energy: -26.046
tors. eta vs tors. theta energy: -30.185
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: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -405.155777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.155777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.155777 (E_RNA)
where:
Base-Base interactions energy: -246.544
where: short stacking energy: -143.034
Base-Backbone interact. energy: -0.590
local terms energy: -158.021525
where:
bonds (distance) C4'-P energy: -31.927
bonds (distance) P-C4' energy: -41.995
flat angles C4'-P-C4' energy: -39.479
flat angles P-C4'-P energy: -20.846
tors. eta vs tors. theta energy: -23.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -281.660364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.660364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.660364 (E_RNA)
where:
Base-Base interactions energy: -150.355
where: short stacking energy: -85.031
Base-Backbone interact. energy: -0.740
local terms energy: -130.565132
where:
bonds (distance) C4'-P energy: -40.380
bonds (distance) P-C4' energy: -42.180
flat angles C4'-P-C4' energy: -29.525
flat angles P-C4'-P energy: -19.139
tors. eta vs tors. theta energy: 0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -823.792674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.792674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.792674 (E_RNA)
where:
Base-Base interactions energy: -563.536
where: short stacking energy: -243.542
Base-Backbone interact. energy: -1.274
local terms energy: -258.982190
where:
bonds (distance) C4'-P energy: -47.447
bonds (distance) P-C4' energy: -52.853
flat angles C4'-P-C4' energy: -57.168
flat angles P-C4'-P energy: -32.305
tors. eta vs tors. theta energy: -69.209
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: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -836.462247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.462247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.462247 (E_RNA)
where:
Base-Base interactions energy: -584.755
where: short stacking energy: -251.019
Base-Backbone interact. energy: -0.128
local terms energy: -251.579087
where:
bonds (distance) C4'-P energy: -44.797
bonds (distance) P-C4' energy: -44.429
flat angles C4'-P-C4' energy: -53.130
flat angles P-C4'-P energy: -30.175
tors. eta vs tors. theta energy: -79.048
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: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -726.925264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.925264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.925264 (E_RNA)
where:
Base-Base interactions energy: -497.145
where: short stacking energy: -199.391
Base-Backbone interact. energy: 1.150
local terms energy: -230.930034
where:
bonds (distance) C4'-P energy: -40.815
bonds (distance) P-C4' energy: -49.061
flat angles C4'-P-C4' energy: -52.475
flat angles P-C4'-P energy: -35.196
tors. eta vs tors. theta energy: -53.383
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: 9
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -688.675365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.675365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.675365 (E_RNA)
where:
Base-Base interactions energy: -464.542
where: short stacking energy: -211.834
Base-Backbone interact. energy: -0.859
local terms energy: -223.274375
where:
bonds (distance) C4'-P energy: -38.628
bonds (distance) P-C4' energy: -49.044
flat angles C4'-P-C4' energy: -36.549
flat angles P-C4'-P energy: -35.703
tors. eta vs tors. theta energy: -63.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -657.982522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.982522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.982522 (E_RNA)
where:
Base-Base interactions energy: -449.392
where: short stacking energy: -184.207
Base-Backbone interact. energy: -1.801
local terms energy: -206.789728
where:
bonds (distance) C4'-P energy: -40.215
bonds (distance) P-C4' energy: -46.957
flat angles C4'-P-C4' energy: -39.681
flat angles P-C4'-P energy: -30.416
tors. eta vs tors. theta energy: -49.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -618.727800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.727800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.727800 (E_RNA)
where:
Base-Base interactions energy: -425.146
where: short stacking energy: -183.195
Base-Backbone interact. energy: 0.438
local terms energy: -194.019614
where:
bonds (distance) C4'-P energy: -36.391
bonds (distance) P-C4' energy: -38.674
flat angles C4'-P-C4' energy: -47.808
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -47.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -518.500346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.500346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.500346 (E_RNA)
where:
Base-Base interactions energy: -332.876
where: short stacking energy: -148.781
Base-Backbone interact. energy: -0.398
local terms energy: -185.226902
where:
bonds (distance) C4'-P energy: -36.658
bonds (distance) P-C4' energy: -41.022
flat angles C4'-P-C4' energy: -43.246
flat angles P-C4'-P energy: -32.330
tors. eta vs tors. theta energy: -31.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -481.922649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.922649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.922649 (E_RNA)
where:
Base-Base interactions energy: -300.071
where: short stacking energy: -143.194
Base-Backbone interact. energy: -1.644
local terms energy: -180.207897
where:
bonds (distance) C4'-P energy: -36.639
bonds (distance) P-C4' energy: -39.275
flat angles C4'-P-C4' energy: -48.572
flat angles P-C4'-P energy: -30.932
tors. eta vs tors. theta energy: -24.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -411.464818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.464818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.464818 (E_RNA)
where:
Base-Base interactions energy: -229.109
where: short stacking energy: -119.038
Base-Backbone interact. energy: -0.931
local terms energy: -181.424436
where:
bonds (distance) C4'-P energy: -39.557
bonds (distance) P-C4' energy: -46.853
flat angles C4'-P-C4' energy: -34.687
flat angles P-C4'-P energy: -30.853
tors. eta vs tors. theta energy: -29.475
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: 10, replica: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -284.892166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.892166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.892166 (E_RNA)
where:
Base-Base interactions energy: -147.264
where: short stacking energy: -84.274
Base-Backbone interact. energy: -0.992
local terms energy: -136.636456
where:
bonds (distance) C4'-P energy: -25.070
bonds (distance) P-C4' energy: -41.509
flat angles C4'-P-C4' energy: -36.609
flat angles P-C4'-P energy: -26.039
tors. eta vs tors. theta energy: -7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -817.683746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.683746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.683746 (E_RNA)
where:
Base-Base interactions energy: -551.088
where: short stacking energy: -247.084
Base-Backbone interact. energy: -0.757
local terms energy: -265.838517
where:
bonds (distance) C4'-P energy: -49.197
bonds (distance) P-C4' energy: -51.727
flat angles C4'-P-C4' energy: -55.683
flat angles P-C4'-P energy: -34.991
tors. eta vs tors. theta energy: -74.239
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: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -839.427422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.427422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.427422 (E_RNA)
where:
Base-Base interactions energy: -581.831
where: short stacking energy: -251.064
Base-Backbone interact. energy: 1.042
local terms energy: -258.638642
where:
bonds (distance) C4'-P energy: -38.794
bonds (distance) P-C4' energy: -56.171
flat angles C4'-P-C4' energy: -51.367
flat angles P-C4'-P energy: -35.568
tors. eta vs tors. theta energy: -76.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -716.423027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.423027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.423027 (E_RNA)
where:
Base-Base interactions energy: -495.404
where: short stacking energy: -209.476
Base-Backbone interact. energy: -0.129
local terms energy: -220.889968
where:
bonds (distance) C4'-P energy: -36.410
bonds (distance) P-C4' energy: -42.238
flat angles C4'-P-C4' energy: -54.485
flat angles P-C4'-P energy: -38.557
tors. eta vs tors. theta energy: -49.201
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: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -666.340025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.340025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.340025 (E_RNA)
where:
Base-Base interactions energy: -453.524
where: short stacking energy: -202.689
Base-Backbone interact. energy: -1.590
local terms energy: -211.226286
where:
bonds (distance) C4'-P energy: -40.032
bonds (distance) P-C4' energy: -47.573
flat angles C4'-P-C4' energy: -43.891
flat angles P-C4'-P energy: -25.165
tors. eta vs tors. theta energy: -54.565
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: 5, replica: 9
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -656.401281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.401281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.401281 (E_RNA)
where:
Base-Base interactions energy: -444.405
where: short stacking energy: -196.802
Base-Backbone interact. energy: -0.655
local terms energy: -211.342052
where:
bonds (distance) C4'-P energy: -42.517
bonds (distance) P-C4' energy: -43.901
flat angles C4'-P-C4' energy: -45.460
flat angles P-C4'-P energy: -29.225
tors. eta vs tors. theta energy: -50.240
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: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -658.363933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.363933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.363933 (E_RNA)
where:
Base-Base interactions energy: -459.976
where: short stacking energy: -182.737
Base-Backbone interact. energy: -1.155
local terms energy: -197.233363
where:
bonds (distance) C4'-P energy: -41.411
bonds (distance) P-C4' energy: -34.978
flat angles C4'-P-C4' energy: -51.937
flat angles P-C4'-P energy: -27.023
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: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -473.812787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.812787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.812787 (E_RNA)
where:
Base-Base interactions energy: -298.609
where: short stacking energy: -149.321
Base-Backbone interact. energy: 1.751
local terms energy: -176.954446
where:
bonds (distance) C4'-P energy: -41.290
bonds (distance) P-C4' energy: -42.179
flat angles C4'-P-C4' energy: -33.524
flat angles P-C4'-P energy: -34.160
tors. eta vs tors. theta energy: -25.801
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: 8, replica: 7
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -457.643327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.643327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.643327 (E_RNA)
where:
Base-Base interactions energy: -307.606
where: short stacking energy: -119.015
Base-Backbone interact. energy: -1.072
local terms energy: -148.965651
where:
bonds (distance) C4'-P energy: -33.407
bonds (distance) P-C4' energy: -31.096
flat angles C4'-P-C4' energy: -36.362
flat angles P-C4'-P energy: -22.264
tors. eta vs tors. theta energy: -25.837
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: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -335.223025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.223025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.223025 (E_RNA)
where:
Base-Base interactions energy: -172.736
where: short stacking energy: -93.547
Base-Backbone interact. energy: -1.243
local terms energy: -161.244171
where:
bonds (distance) C4'-P energy: -44.374
bonds (distance) P-C4' energy: -44.699
flat angles C4'-P-C4' energy: -41.975
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -12.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -322.417413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.417413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.417413 (E_RNA)
where:
Base-Base interactions energy: -184.132
where: short stacking energy: -96.601
Base-Backbone interact. energy: -0.659
local terms energy: -137.626438
where:
bonds (distance) C4'-P energy: -37.504
bonds (distance) P-C4' energy: -41.723
flat angles C4'-P-C4' energy: -32.605
flat angles P-C4'-P energy: -22.934
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -858.717559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.717559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.717559 (E_RNA)
where:
Base-Base interactions energy: -589.187
where: short stacking energy: -264.254
Base-Backbone interact. energy: -0.423
local terms energy: -269.107500
where:
bonds (distance) C4'-P energy: -44.745
bonds (distance) P-C4' energy: -49.580
flat angles C4'-P-C4' energy: -56.493
flat angles P-C4'-P energy: -37.091
tors. eta vs tors. theta energy: -81.199
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: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -802.160908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.160908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.160908 (E_RNA)
where:
Base-Base interactions energy: -569.727
where: short stacking energy: -237.493
Base-Backbone interact. energy: -0.746
local terms energy: -231.688334
where:
bonds (distance) C4'-P energy: -38.719
bonds (distance) P-C4' energy: -38.899
flat angles C4'-P-C4' energy: -47.101
flat angles P-C4'-P energy: -37.278
tors. eta vs tors. theta energy: -69.690
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: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -723.939662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.939662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.939662 (E_RNA)
where:
Base-Base interactions energy: -509.144
where: short stacking energy: -213.290
Base-Backbone interact. energy: -0.209
local terms energy: -214.586934
where:
bonds (distance) C4'-P energy: -39.140
bonds (distance) P-C4' energy: -51.242
flat angles C4'-P-C4' energy: -42.938
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: -62.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -678.134561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.134561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.134561 (E_RNA)
where:
Base-Base interactions energy: -469.122
where: short stacking energy: -186.834
Base-Backbone interact. energy: -1.880
local terms energy: -207.132280
where:
bonds (distance) C4'-P energy: -43.332
bonds (distance) P-C4' energy: -44.074
flat angles C4'-P-C4' energy: -44.029
flat angles P-C4'-P energy: -30.194
tors. eta vs tors. theta energy: -45.503
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: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -675.700952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.700952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.700952 (E_RNA)
where:
Base-Base interactions energy: -460.735
where: short stacking energy: -196.762
Base-Backbone interact. energy: 0.145
local terms energy: -215.111348
where:
bonds (distance) C4'-P energy: -40.374
bonds (distance) P-C4' energy: -37.726
flat angles C4'-P-C4' energy: -52.915
flat angles P-C4'-P energy: -34.758
tors. eta vs tors. theta energy: -49.338
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: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -660.196486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.196486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.196486 (E_RNA)
where:
Base-Base interactions energy: -454.094
where: short stacking energy: -207.926
Base-Backbone interact. energy: -2.002
local terms energy: -204.100693
where:
bonds (distance) C4'-P energy: -37.175
bonds (distance) P-C4' energy: -43.862
flat angles C4'-P-C4' energy: -43.529
flat angles P-C4'-P energy: -25.120
tors. eta vs tors. theta energy: -54.414
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: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -487.632009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.632009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.632009 (E_RNA)
where:
Base-Base interactions energy: -318.434
where: short stacking energy: -143.648
Base-Backbone interact. energy: -1.614
local terms energy: -167.584691
where:
bonds (distance) C4'-P energy: -35.582
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -39.713
flat angles P-C4'-P energy: -25.058
tors. eta vs tors. theta energy: -28.762
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: 8, replica: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -458.586623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.586623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.586623 (E_RNA)
where:
Base-Base interactions energy: -282.318
where: short stacking energy: -138.217
Base-Backbone interact. energy: -0.062
local terms energy: -176.205791
where:
bonds (distance) C4'-P energy: -32.552
bonds (distance) P-C4' energy: -42.308
flat angles C4'-P-C4' energy: -36.519
flat angles P-C4'-P energy: -25.239
tors. eta vs tors. theta energy: -39.587
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: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -310.095303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.095303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.095303 (E_RNA)
where:
Base-Base interactions energy: -161.119
where: short stacking energy: -104.382
Base-Backbone interact. energy: -0.427
local terms energy: -148.549736
where:
bonds (distance) C4'-P energy: -38.074
bonds (distance) P-C4' energy: -36.753
flat angles C4'-P-C4' energy: -37.856
flat angles P-C4'-P energy: -26.820
tors. eta vs tors. theta energy: -9.046
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: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -259.255439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.255439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.255439 (E_RNA)
where:
Base-Base interactions energy: -123.540
where: short stacking energy: -76.357
Base-Backbone interact. energy: 1.341
local terms energy: -137.056166
where:
bonds (distance) C4'-P energy: -34.033
bonds (distance) P-C4' energy: -36.411
flat angles C4'-P-C4' energy: -41.687
flat angles P-C4'-P energy: -27.656
tors. eta vs tors. theta energy: 2.731
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: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -864.585238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.585238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.585238 (E_RNA)
where:
Base-Base interactions energy: -584.570
where: short stacking energy: -265.420
Base-Backbone interact. energy: -0.546
local terms energy: -279.469952
where:
bonds (distance) C4'-P energy: -51.152
bonds (distance) P-C4' energy: -51.395
flat angles C4'-P-C4' energy: -53.697
flat angles P-C4'-P energy: -41.052
tors. eta vs tors. theta energy: -82.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -795.676234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.676234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.676234 (E_RNA)
where:
Base-Base interactions energy: -553.821
where: short stacking energy: -221.585
Base-Backbone interact. energy: -1.812
local terms energy: -240.042944
where:
bonds (distance) C4'-P energy: -41.567
bonds (distance) P-C4' energy: -46.804
flat angles C4'-P-C4' energy: -49.627
flat angles P-C4'-P energy: -35.006
tors. eta vs tors. theta energy: -67.039
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: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -706.281403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.281403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.281403 (E_RNA)
where:
Base-Base interactions energy: -474.193
where: short stacking energy: -201.631
Base-Backbone interact. energy: -0.928
local terms energy: -231.160397
where:
bonds (distance) C4'-P energy: -50.666
bonds (distance) P-C4' energy: -45.808
flat angles C4'-P-C4' energy: -50.447
flat angles P-C4'-P energy: -30.727
tors. eta vs tors. theta energy: -53.513
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: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -673.878730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.878730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.878730 (E_RNA)
where:
Base-Base interactions energy: -449.871
where: short stacking energy: -184.164
Base-Backbone interact. energy: -1.170
local terms energy: -222.838458
where:
bonds (distance) C4'-P energy: -41.013
bonds (distance) P-C4' energy: -50.256
flat angles C4'-P-C4' energy: -52.476
flat angles P-C4'-P energy: -34.780
tors. eta vs tors. theta energy: -44.313
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: 55
Temperature: 1.100000
Total energy: -666.151771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.151771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.151771 (E_RNA)
where:
Base-Base interactions energy: -442.155
where: short stacking energy: -190.973
Base-Backbone interact. energy: 0.069
local terms energy: -224.066323
where:
bonds (distance) C4'-P energy: -39.073
bonds (distance) P-C4' energy: -50.334
flat angles C4'-P-C4' energy: -54.825
flat angles P-C4'-P energy: -30.873
tors. eta vs tors. theta energy: -48.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -680.389145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.389145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.389145 (E_RNA)
where:
Base-Base interactions energy: -469.149
where: short stacking energy: -210.724
Base-Backbone interact. energy: 0.422
local terms energy: -211.661684
where:
bonds (distance) C4'-P energy: -44.386
bonds (distance) P-C4' energy: -35.500
flat angles C4'-P-C4' energy: -49.709
flat angles P-C4'-P energy: -24.229
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: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -489.044436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.044436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.044436 (E_RNA)
where:
Base-Base interactions energy: -323.042
where: short stacking energy: -164.459
Base-Backbone interact. energy: -1.519
local terms energy: -164.482703
where:
bonds (distance) C4'-P energy: -29.882
bonds (distance) P-C4' energy: -38.642
flat angles C4'-P-C4' energy: -41.946
flat angles P-C4'-P energy: -20.704
tors. eta vs tors. theta energy: -33.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -439.146436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.146436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.146436 (E_RNA)
where:
Base-Base interactions energy: -252.877
where: short stacking energy: -109.495
Base-Backbone interact. energy: 0.714
local terms energy: -186.984236
where:
bonds (distance) C4'-P energy: -42.556
bonds (distance) P-C4' energy: -46.472
flat angles C4'-P-C4' energy: -39.895
flat angles P-C4'-P energy: -30.570
tors. eta vs tors. theta energy: -27.492
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: 3
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -316.711451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.711451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.711451 (E_RNA)
where:
Base-Base interactions energy: -170.600
where: short stacking energy: -87.405
Base-Backbone interact. energy: 1.650
local terms energy: -147.761316
where:
bonds (distance) C4'-P energy: -34.359
bonds (distance) P-C4' energy: -39.000
flat angles C4'-P-C4' energy: -34.434
flat angles P-C4'-P energy: -30.540
tors. eta vs tors. theta energy: -9.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -262.393832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.393832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.393832 (E_RNA)
where:
Base-Base interactions energy: -133.298
where: short stacking energy: -76.330
Base-Backbone interact. energy: 0.043
local terms energy: -129.139328
where:
bonds (distance) C4'-P energy: -34.628
bonds (distance) P-C4' energy: -35.793
flat angles C4'-P-C4' energy: -30.811
flat angles P-C4'-P energy: -24.635
tors. eta vs tors. theta energy: -3.272
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: 1, replica: 5
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -851.539194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.539194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.539194 (E_RNA)
where:
Base-Base interactions energy: -590.681
where: short stacking energy: -258.841
Base-Backbone interact. energy: 0.510
local terms energy: -261.367725
where:
bonds (distance) C4'-P energy: -49.036
bonds (distance) P-C4' energy: -49.755
flat angles C4'-P-C4' energy: -55.442
flat angles P-C4'-P energy: -28.402
tors. eta vs tors. theta energy: -78.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -787.380358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.380358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.380358 (E_RNA)
where:
Base-Base interactions energy: -538.860
where: short stacking energy: -233.526
Base-Backbone interact. energy: -0.929
local terms energy: -247.591670
where:
bonds (distance) C4'-P energy: -40.264
bonds (distance) P-C4' energy: -48.618
flat angles C4'-P-C4' energy: -52.122
flat angles P-C4'-P energy: -37.048
tors. eta vs tors. theta energy: -69.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -691.032340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.032340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.032340 (E_RNA)
where:
Base-Base interactions energy: -474.336
where: short stacking energy: -199.878
Base-Backbone interact. energy: 0.109
local terms energy: -216.804919
where:
bonds (distance) C4'-P energy: -47.898
bonds (distance) P-C4' energy: -49.216
flat angles C4'-P-C4' energy: -46.328
flat angles P-C4'-P energy: -24.908
tors. eta vs tors. theta energy: -48.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -678.952296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.952296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.952296 (E_RNA)
where:
Base-Base interactions energy: -468.703
where: short stacking energy: -199.378
Base-Backbone interact. energy: -0.974
local terms energy: -209.274683
where:
bonds (distance) C4'-P energy: -35.617
bonds (distance) P-C4' energy: -47.111
flat angles C4'-P-C4' energy: -44.963
flat angles P-C4'-P energy: -30.726
tors. eta vs tors. theta energy: -50.857
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: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -656.887374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.887374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.887374 (E_RNA)
where:
Base-Base interactions energy: -438.550
where: short stacking energy: -200.494
Base-Backbone interact. energy: 0.149
local terms energy: -218.486054
where:
bonds (distance) C4'-P energy: -38.587
bonds (distance) P-C4' energy: -44.775
flat angles C4'-P-C4' energy: -51.719
flat angles P-C4'-P energy: -28.395
tors. eta vs tors. theta energy: -55.011
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: 9
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -669.340480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.340480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.340480 (E_RNA)
where:
Base-Base interactions energy: -456.384
where: short stacking energy: -212.625
Base-Backbone interact. energy: -0.553
local terms energy: -212.403847
where:
bonds (distance) C4'-P energy: -26.064
bonds (distance) P-C4' energy: -47.302
flat angles C4'-P-C4' energy: -48.353
flat angles P-C4'-P energy: -30.946
tors. eta vs tors. theta energy: -59.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -510.507785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.507785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.507785 (E_RNA)
where:
Base-Base interactions energy: -348.867
where: short stacking energy: -152.984
Base-Backbone interact. energy: -1.032
local terms energy: -160.608894
where:
bonds (distance) C4'-P energy: -36.302
bonds (distance) P-C4' energy: -32.962
flat angles C4'-P-C4' energy: -33.134
flat angles P-C4'-P energy: -21.461
tors. eta vs tors. theta energy: -36.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -351.831801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.831801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.831801 (E_RNA)
where:
Base-Base interactions energy: -188.662
where: short stacking energy: -108.177
Base-Backbone interact. energy: -0.005
local terms energy: -163.165231
where:
bonds (distance) C4'-P energy: -44.543
bonds (distance) P-C4' energy: -43.572
flat angles C4'-P-C4' energy: -35.960
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -20.091
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: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -329.146984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.146984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.146984 (E_RNA)
where:
Base-Base interactions energy: -178.655
where: short stacking energy: -107.663
Base-Backbone interact. energy: 2.343
local terms energy: -152.834343
where:
bonds (distance) C4'-P energy: -37.003
bonds (distance) P-C4' energy: -36.770
flat angles C4'-P-C4' energy: -42.663
flat angles P-C4'-P energy: -25.804
tors. eta vs tors. theta energy: -10.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -284.122693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.122693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.122693 (E_RNA)
where:
Base-Base interactions energy: -155.761
where: short stacking energy: -70.257
Base-Backbone interact. energy: 9.344
local terms energy: -137.704793
where:
bonds (distance) C4'-P energy: -41.357
bonds (distance) P-C4' energy: -36.841
flat angles C4'-P-C4' energy: -36.002
flat angles P-C4'-P energy: -26.893
tors. eta vs tors. theta energy: 3.388
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: 5
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -855.705122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.705122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.705122 (E_RNA)
where:
Base-Base interactions energy: -587.821
where: short stacking energy: -240.998
Base-Backbone interact. energy: -0.341
local terms energy: -267.542851
where:
bonds (distance) C4'-P energy: -52.899
bonds (distance) P-C4' energy: -49.265
flat angles C4'-P-C4' energy: -49.690
flat angles P-C4'-P energy: -34.630
tors. eta vs tors. theta energy: -81.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -801.357018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.357018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.357018 (E_RNA)
where:
Base-Base interactions energy: -551.548
where: short stacking energy: -222.404
Base-Backbone interact. energy: -1.941
local terms energy: -247.868006
where:
bonds (distance) C4'-P energy: -42.823
bonds (distance) P-C4' energy: -54.028
flat angles C4'-P-C4' energy: -47.235
flat angles P-C4'-P energy: -35.607
tors. eta vs tors. theta energy: -68.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -709.994876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.994876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.994876 (E_RNA)
where:
Base-Base interactions energy: -482.134
where: short stacking energy: -218.152
Base-Backbone interact. energy: -2.248
local terms energy: -225.613005
where:
bonds (distance) C4'-P energy: -38.190
bonds (distance) P-C4' energy: -45.678
flat angles C4'-P-C4' energy: -48.811
flat angles P-C4'-P energy: -36.654
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: 4, replica: 8
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -697.996035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.996035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.996035 (E_RNA)
where:
Base-Base interactions energy: -479.597
where: short stacking energy: -213.207
Base-Backbone interact. energy: 0.606
local terms energy: -219.005032
where:
bonds (distance) C4'-P energy: -38.404
bonds (distance) P-C4' energy: -43.582
flat angles C4'-P-C4' energy: -46.121
flat angles P-C4'-P energy: -34.929
tors. eta vs tors. theta energy: -55.969
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: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -649.656017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.656017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.656017 (E_RNA)
where:
Base-Base interactions energy: -443.471
where: short stacking energy: -182.272
Base-Backbone interact. energy: -0.968
local terms energy: -205.216547
where:
bonds (distance) C4'-P energy: -46.285
bonds (distance) P-C4' energy: -54.591
flat angles C4'-P-C4' energy: -42.930
flat angles P-C4'-P energy: -22.296
tors. eta vs tors. theta energy: -39.115
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: 9
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -658.386245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.386245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.386245 (E_RNA)
where:
Base-Base interactions energy: -449.980
where: short stacking energy: -182.915
Base-Backbone interact. energy: -0.794
local terms energy: -207.612271
where:
bonds (distance) C4'-P energy: -42.482
bonds (distance) P-C4' energy: -34.799
flat angles C4'-P-C4' energy: -44.500
flat angles P-C4'-P energy: -29.863
tors. eta vs tors. theta energy: -55.969
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: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -546.643592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.643592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.643592 (E_RNA)
where:
Base-Base interactions energy: -380.873
where: short stacking energy: -163.694
Base-Backbone interact. energy: -0.994
local terms energy: -164.776491
where:
bonds (distance) C4'-P energy: -31.654
bonds (distance) P-C4' energy: -39.367
flat angles C4'-P-C4' energy: -38.773
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -33.154
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: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -356.881222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.881222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.881222 (E_RNA)
where:
Base-Base interactions energy: -198.735
where: short stacking energy: -105.334
Base-Backbone interact. energy: -1.193
local terms energy: -156.953694
where:
bonds (distance) C4'-P energy: -44.223
bonds (distance) P-C4' energy: -38.417
flat angles C4'-P-C4' energy: -37.813
flat angles P-C4'-P energy: -25.435
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: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -269.648268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.648268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.648268 (E_RNA)
where:
Base-Base interactions energy: -129.463
where: short stacking energy: -81.650
Base-Backbone interact. energy: -0.943
local terms energy: -139.242133
where:
bonds (distance) C4'-P energy: -30.494
bonds (distance) P-C4' energy: -43.849
flat angles C4'-P-C4' energy: -36.910
flat angles P-C4'-P energy: -20.147
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -308.818853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.818853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.818853 (E_RNA)
where:
Base-Base interactions energy: -177.420
where: short stacking energy: -107.307
Base-Backbone interact. energy: 2.866
local terms energy: -134.264231
where:
bonds (distance) C4'-P energy: -32.369
bonds (distance) P-C4' energy: -40.503
flat angles C4'-P-C4' energy: -37.029
flat angles P-C4'-P energy: -14.017
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: 1, replica: 5
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -857.151596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.151596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.151596 (E_RNA)
where:
Base-Base interactions energy: -599.043
where: short stacking energy: -251.820
Base-Backbone interact. energy: -0.213
local terms energy: -257.895465
where:
bonds (distance) C4'-P energy: -52.065
bonds (distance) P-C4' energy: -38.693
flat angles C4'-P-C4' energy: -50.900
flat angles P-C4'-P energy: -37.093
tors. eta vs tors. theta energy: -79.144
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: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -801.372500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.372500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.372500 (E_RNA)
where:
Base-Base interactions energy: -553.536
where: short stacking energy: -238.377
Base-Backbone interact. energy: -0.875
local terms energy: -246.961266
where:
bonds (distance) C4'-P energy: -44.287
bonds (distance) P-C4' energy: -48.277
flat angles C4'-P-C4' energy: -46.177
flat angles P-C4'-P energy: -35.297
tors. eta vs tors. theta energy: -72.923
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: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -704.314560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.314560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.314560 (E_RNA)
where:
Base-Base interactions energy: -488.215
where: short stacking energy: -214.625
Base-Backbone interact. energy: -0.439
local terms energy: -215.660004
where:
bonds (distance) C4'-P energy: -43.767
bonds (distance) P-C4' energy: -49.879
flat angles C4'-P-C4' energy: -45.396
flat angles P-C4'-P energy: -25.563
tors. eta vs tors. theta energy: -51.054
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: 4, replica: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -691.680369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.680369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.680369 (E_RNA)
where:
Base-Base interactions energy: -460.634
where: short stacking energy: -190.455
Base-Backbone interact. energy: -0.597
local terms energy: -230.449121
where:
bonds (distance) C4'-P energy: -46.138
bonds (distance) P-C4' energy: -49.358
flat angles C4'-P-C4' energy: -42.624
flat angles P-C4'-P energy: -36.069
tors. eta vs tors. theta energy: -56.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -654.104803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.104803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.104803 (E_RNA)
where:
Base-Base interactions energy: -450.490
where: short stacking energy: -184.642
Base-Backbone interact. energy: -1.143
local terms energy: -202.472530
where:
bonds (distance) C4'-P energy: -39.449
bonds (distance) P-C4' energy: -51.282
flat angles C4'-P-C4' energy: -40.094
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -49.511
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: 6, replica: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -636.243489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.243489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.243489 (E_RNA)
where:
Base-Base interactions energy: -442.058
where: short stacking energy: -182.066
Base-Backbone interact. energy: -0.971
local terms energy: -193.214779
where:
bonds (distance) C4'-P energy: -34.972
bonds (distance) P-C4' energy: -34.706
flat angles C4'-P-C4' energy: -49.007
flat angles P-C4'-P energy: -31.827
tors. eta vs tors. theta energy: -42.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -612.295026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.295026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.295026 (E_RNA)
where:
Base-Base interactions energy: -410.244
where: short stacking energy: -161.092
Base-Backbone interact. energy: -2.111
local terms energy: -199.939919
where:
bonds (distance) C4'-P energy: -48.725
bonds (distance) P-C4' energy: -47.530
flat angles C4'-P-C4' energy: -47.078
flat angles P-C4'-P energy: -20.794
tors. eta vs tors. theta energy: -35.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -347.663869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.663869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.663869 (E_RNA)
where:
Base-Base interactions energy: -190.013
where: short stacking energy: -96.919
Base-Backbone interact. energy: -1.649
local terms energy: -156.001292
where:
bonds (distance) C4'-P energy: -38.131
bonds (distance) P-C4' energy: -39.958
flat angles C4'-P-C4' energy: -46.417
flat angles P-C4'-P energy: -20.645
tors. eta vs tors. theta energy: -10.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -321.912436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.912436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.912436 (E_RNA)
where:
Base-Base interactions energy: -170.373
where: short stacking energy: -92.919
Base-Backbone interact. energy: -0.076
local terms energy: -151.462732
where:
bonds (distance) C4'-P energy: -29.178
bonds (distance) P-C4' energy: -46.490
flat angles C4'-P-C4' energy: -47.500
flat angles P-C4'-P energy: -22.689
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: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -262.545817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.545817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.545817 (E_RNA)
where:
Base-Base interactions energy: -130.638
where: short stacking energy: -73.351
Base-Backbone interact. energy: -1.202
local terms energy: -130.705445
where:
bonds (distance) C4'-P energy: -32.387
bonds (distance) P-C4' energy: -46.216
flat angles C4'-P-C4' energy: -37.670
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -859.286704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.286704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.286704 (E_RNA)
where:
Base-Base interactions energy: -591.789
where: short stacking energy: -272.561
Base-Backbone interact. energy: -1.207
local terms energy: -266.290231
where:
bonds (distance) C4'-P energy: -45.746
bonds (distance) P-C4' energy: -50.040
flat angles C4'-P-C4' energy: -57.090
flat angles P-C4'-P energy: -34.209
tors. eta vs tors. theta energy: -79.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -811.248120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.248120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.248120 (E_RNA)
where:
Base-Base interactions energy: -571.921
where: short stacking energy: -238.039
Base-Backbone interact. energy: -1.251
local terms energy: -238.075640
where:
bonds (distance) C4'-P energy: -39.898
bonds (distance) P-C4' energy: -44.605
flat angles C4'-P-C4' energy: -50.243
flat angles P-C4'-P energy: -37.097
tors. eta vs tors. theta energy: -66.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -736.451915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.451915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.451915 (E_RNA)
where:
Base-Base interactions energy: -497.719
where: short stacking energy: -211.540
Base-Backbone interact. energy: -1.823
local terms energy: -236.910764
where:
bonds (distance) C4'-P energy: -48.568
bonds (distance) P-C4' energy: -49.093
flat angles C4'-P-C4' energy: -48.330
flat angles P-C4'-P energy: -27.791
tors. eta vs tors. theta energy: -63.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -698.288636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.288636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.288636 (E_RNA)
where:
Base-Base interactions energy: -485.304
where: short stacking energy: -209.393
Base-Backbone interact. energy: 1.565
local terms energy: -214.550479
where:
bonds (distance) C4'-P energy: -43.186
bonds (distance) P-C4' energy: -41.205
flat angles C4'-P-C4' energy: -48.312
flat angles P-C4'-P energy: -27.442
tors. eta vs tors. theta energy: -54.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -662.327409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.327409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.327409 (E_RNA)
where:
Base-Base interactions energy: -441.120
where: short stacking energy: -198.236
Base-Backbone interact. energy: 0.772
local terms energy: -221.980107
where:
bonds (distance) C4'-P energy: -49.395
bonds (distance) P-C4' energy: -44.195
flat angles C4'-P-C4' energy: -50.868
flat angles P-C4'-P energy: -27.644
tors. eta vs tors. theta energy: -49.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -641.004385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.004385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.004385 (E_RNA)
where:
Base-Base interactions energy: -432.169
where: short stacking energy: -161.580
Base-Backbone interact. energy: -2.997
local terms energy: -205.838848
where:
bonds (distance) C4'-P energy: -42.875
bonds (distance) P-C4' energy: -42.865
flat angles C4'-P-C4' energy: -44.243
flat angles P-C4'-P energy: -35.768
tors. eta vs tors. theta energy: -40.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -656.118436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.118436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.118436 (E_RNA)
where:
Base-Base interactions energy: -452.976
where: short stacking energy: -187.387
Base-Backbone interact. energy: -1.392
local terms energy: -201.749865
where:
bonds (distance) C4'-P energy: -30.344
bonds (distance) P-C4' energy: -48.086
flat angles C4'-P-C4' energy: -47.980
flat angles P-C4'-P energy: -27.030
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: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -414.028763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.028763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.028763 (E_RNA)
where:
Base-Base interactions energy: -255.996
where: short stacking energy: -111.716
Base-Backbone interact. energy: -1.146
local terms energy: -156.887728
where:
bonds (distance) C4'-P energy: -42.797
bonds (distance) P-C4' energy: -40.220
flat angles C4'-P-C4' energy: -37.292
flat angles P-C4'-P energy: -21.851
tors. eta vs tors. theta energy: -14.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -338.659052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.659052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.659052 (E_RNA)
where:
Base-Base interactions energy: -180.524
where: short stacking energy: -87.401
Base-Backbone interact. energy: 0.770
local terms energy: -158.904872
where:
bonds (distance) C4'-P energy: -39.261
bonds (distance) P-C4' energy: -52.290
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -13.962
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: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -233.412976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.412976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.412976 (E_RNA)
where:
Base-Base interactions energy: -131.991
where: short stacking energy: -83.243
Base-Backbone interact. energy: -0.240
local terms energy: -101.181157
where:
bonds (distance) C4'-P energy: -22.857
bonds (distance) P-C4' energy: -28.560
flat angles C4'-P-C4' energy: -34.299
flat angles P-C4'-P energy: -18.435
tors. eta vs tors. theta energy: 2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -853.118235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.118235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.118235 (E_RNA)
where:
Base-Base interactions energy: -585.922
where: short stacking energy: -259.742
Base-Backbone interact. energy: -1.203
local terms energy: -265.992490
where:
bonds (distance) C4'-P energy: -45.490
bonds (distance) P-C4' energy: -53.790
flat angles C4'-P-C4' energy: -54.966
flat angles P-C4'-P energy: -33.716
tors. eta vs tors. theta energy: -78.031
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: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -814.500623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.500623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.500623 (E_RNA)
where:
Base-Base interactions energy: -577.462
where: short stacking energy: -247.178
Base-Backbone interact. energy: -1.522
local terms energy: -235.517092
where:
bonds (distance) C4'-P energy: -40.819
bonds (distance) P-C4' energy: -46.574
flat angles C4'-P-C4' energy: -52.690
flat angles P-C4'-P energy: -32.337
tors. eta vs tors. theta energy: -63.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -735.558692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.558692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.558692 (E_RNA)
where:
Base-Base interactions energy: -502.527
where: short stacking energy: -203.813
Base-Backbone interact. energy: -0.669
local terms energy: -232.362743
where:
bonds (distance) C4'-P energy: -46.088
bonds (distance) P-C4' energy: -46.921
flat angles C4'-P-C4' energy: -50.318
flat angles P-C4'-P energy: -31.363
tors. eta vs tors. theta energy: -57.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -699.815951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.815951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.815951 (E_RNA)
where:
Base-Base interactions energy: -480.362
where: short stacking energy: -213.589
Base-Backbone interact. energy: 2.774
local terms energy: -222.227843
where:
bonds (distance) C4'-P energy: -45.069
bonds (distance) P-C4' energy: -37.185
flat angles C4'-P-C4' energy: -45.903
flat angles P-C4'-P energy: -31.958
tors. eta vs tors. theta energy: -62.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -666.473434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.473434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.473434 (E_RNA)
where:
Base-Base interactions energy: -480.846
where: short stacking energy: -174.064
Base-Backbone interact. energy: -1.389
local terms energy: -184.238945
where:
bonds (distance) C4'-P energy: -40.018
bonds (distance) P-C4' energy: -38.142
flat angles C4'-P-C4' energy: -42.895
flat angles P-C4'-P energy: -27.651
tors. eta vs tors. theta energy: -35.533
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: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -652.587308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.587308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.587308 (E_RNA)
where:
Base-Base interactions energy: -453.014
where: short stacking energy: -182.114
Base-Backbone interact. energy: -1.002
local terms energy: -198.571549
where:
bonds (distance) C4'-P energy: -32.099
bonds (distance) P-C4' energy: -44.146
flat angles C4'-P-C4' energy: -44.584
flat angles P-C4'-P energy: -34.927
tors. eta vs tors. theta energy: -42.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -672.906190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.906190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.906190 (E_RNA)
where:
Base-Base interactions energy: -463.078
where: short stacking energy: -199.346
Base-Backbone interact. energy: 0.976
local terms energy: -210.804789
where:
bonds (distance) C4'-P energy: -34.168
bonds (distance) P-C4' energy: -44.094
flat angles C4'-P-C4' energy: -46.381
flat angles P-C4'-P energy: -23.184
tors. eta vs tors. theta energy: -62.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -391.516931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.516931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.516931 (E_RNA)
where:
Base-Base interactions energy: -227.176
where: short stacking energy: -100.746
Base-Backbone interact. energy: -0.706
local terms energy: -163.635220
where:
bonds (distance) C4'-P energy: -50.487
bonds (distance) P-C4' energy: -36.759
flat angles C4'-P-C4' energy: -37.240
flat angles P-C4'-P energy: -26.869
tors. eta vs tors. theta energy: -12.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -322.732768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.732768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.732768 (E_RNA)
where:
Base-Base interactions energy: -175.714
where: short stacking energy: -84.915
Base-Backbone interact. energy: -2.141
local terms energy: -144.877767
where:
bonds (distance) C4'-P energy: -43.925
bonds (distance) P-C4' energy: -44.228
flat angles C4'-P-C4' energy: -34.860
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -225.867591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.867591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.867591 (E_RNA)
where:
Base-Base interactions energy: -82.322
where: short stacking energy: -81.297
Base-Backbone interact. energy: -0.556
local terms energy: -142.989912
where:
bonds (distance) C4'-P energy: -44.579
bonds (distance) P-C4' energy: -37.518
flat angles C4'-P-C4' energy: -39.238
flat angles P-C4'-P energy: -20.583
tors. eta vs tors. theta energy: -1.072
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: 5
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -851.418022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.418022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.418022 (E_RNA)
where:
Base-Base interactions energy: -582.425
where: short stacking energy: -245.657
Base-Backbone interact. energy: -0.229
local terms energy: -268.763769
where:
bonds (distance) C4'-P energy: -49.542
bonds (distance) P-C4' energy: -46.609
flat angles C4'-P-C4' energy: -52.055
flat angles P-C4'-P energy: -43.447
tors. eta vs tors. theta energy: -77.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -819.728776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.728776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.728776 (E_RNA)
where:
Base-Base interactions energy: -580.525
where: short stacking energy: -242.944
Base-Backbone interact. energy: -1.967
local terms energy: -237.236795
where:
bonds (distance) C4'-P energy: -37.842
bonds (distance) P-C4' energy: -43.095
flat angles C4'-P-C4' energy: -51.129
flat angles P-C4'-P energy: -35.492
tors. eta vs tors. theta energy: -69.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -724.754706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.754706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.754706 (E_RNA)
where:
Base-Base interactions energy: -508.096
where: short stacking energy: -234.979
Base-Backbone interact. energy: -0.864
local terms energy: -215.795509
where:
bonds (distance) C4'-P energy: -40.866
bonds (distance) P-C4' energy: -47.015
flat angles C4'-P-C4' energy: -40.198
flat angles P-C4'-P energy: -25.560
tors. eta vs tors. theta energy: -62.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -699.136881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.136881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.136881 (E_RNA)
where:
Base-Base interactions energy: -488.713
where: short stacking energy: -202.579
Base-Backbone interact. energy: -0.997
local terms energy: -209.426794
where:
bonds (distance) C4'-P energy: -44.212
bonds (distance) P-C4' energy: -39.426
flat angles C4'-P-C4' energy: -46.182
flat angles P-C4'-P energy: -34.827
tors. eta vs tors. theta energy: -44.780
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: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -689.632047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.632047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.632047 (E_RNA)
where:
Base-Base interactions energy: -488.324
where: short stacking energy: -217.217
Base-Backbone interact. energy: 1.145
local terms energy: -202.453270
where:
bonds (distance) C4'-P energy: -39.123
bonds (distance) P-C4' energy: -34.442
flat angles C4'-P-C4' energy: -44.601
flat angles P-C4'-P energy: -30.088
tors. eta vs tors. theta energy: -54.199
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: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -631.227360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.227360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.227360 (E_RNA)
where:
Base-Base interactions energy: -438.778
where: short stacking energy: -171.197
Base-Backbone interact. energy: -0.558
local terms energy: -191.891759
where:
bonds (distance) C4'-P energy: -36.672
bonds (distance) P-C4' energy: -45.026
flat angles C4'-P-C4' energy: -46.491
flat angles P-C4'-P energy: -22.031
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: 7, replica: 9
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -659.991598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.991598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.991598 (E_RNA)
where:
Base-Base interactions energy: -454.117
where: short stacking energy: -191.765
Base-Backbone interact. energy: 1.399
local terms energy: -207.273081
where:
bonds (distance) C4'-P energy: -44.650
bonds (distance) P-C4' energy: -31.214
flat angles C4'-P-C4' energy: -50.569
flat angles P-C4'-P energy: -29.785
tors. eta vs tors. theta energy: -51.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -416.530836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.530836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.530836 (E_RNA)
where:
Base-Base interactions energy: -239.820
where: short stacking energy: -116.363
Base-Backbone interact. energy: -0.456
local terms energy: -176.254762
where:
bonds (distance) C4'-P energy: -39.483
bonds (distance) P-C4' energy: -44.190
flat angles C4'-P-C4' energy: -41.425
flat angles P-C4'-P energy: -29.311
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: 9, replica: 3
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -301.941227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.941227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.941227 (E_RNA)
where:
Base-Base interactions energy: -155.306
where: short stacking energy: -103.515
Base-Backbone interact. energy: 0.834
local terms energy: -147.469274
where:
bonds (distance) C4'-P energy: -37.335
bonds (distance) P-C4' energy: -40.825
flat angles C4'-P-C4' energy: -39.464
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -230.381002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.381002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.381002 (E_RNA)
where:
Base-Base interactions energy: -71.241
where: short stacking energy: -66.101
Base-Backbone interact. energy: -0.679
local terms energy: -158.461085
where:
bonds (distance) C4'-P energy: -44.108
bonds (distance) P-C4' energy: -38.769
flat angles C4'-P-C4' energy: -38.737
flat angles P-C4'-P energy: -24.543
tors. eta vs tors. theta energy: -12.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -841.652771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.652771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.652771 (E_RNA)
where:
Base-Base interactions energy: -565.208
where: short stacking energy: -250.741
Base-Backbone interact. energy: 0.133
local terms energy: -276.577399
where:
bonds (distance) C4'-P energy: -52.297
bonds (distance) P-C4' energy: -52.703
flat angles C4'-P-C4' energy: -52.815
flat angles P-C4'-P energy: -40.397
tors. eta vs tors. theta energy: -78.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -807.983964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.983964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.983964 (E_RNA)
where:
Base-Base interactions energy: -585.990
where: short stacking energy: -246.003
Base-Backbone interact. energy: -0.644
local terms energy: -221.350114
where:
bonds (distance) C4'-P energy: -39.709
bonds (distance) P-C4' energy: -36.635
flat angles C4'-P-C4' energy: -44.383
flat angles P-C4'-P energy: -36.130
tors. eta vs tors. theta energy: -64.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -724.095072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.095072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.095072 (E_RNA)
where:
Base-Base interactions energy: -487.757
where: short stacking energy: -216.851
Base-Backbone interact. energy: -1.164
local terms energy: -235.174291
where:
bonds (distance) C4'-P energy: -48.091
bonds (distance) P-C4' energy: -46.634
flat angles C4'-P-C4' energy: -53.089
flat angles P-C4'-P energy: -31.516
tors. eta vs tors. theta energy: -55.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -712.402384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.402384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.402384 (E_RNA)
where:
Base-Base interactions energy: -497.470
where: short stacking energy: -186.347
Base-Backbone interact. energy: -0.592
local terms energy: -214.340925
where:
bonds (distance) C4'-P energy: -43.903
bonds (distance) P-C4' energy: -46.410
flat angles C4'-P-C4' energy: -45.967
flat angles P-C4'-P energy: -30.543
tors. eta vs tors. theta energy: -47.517
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: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -694.447194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.447194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.447194 (E_RNA)
where:
Base-Base interactions energy: -494.577
where: short stacking energy: -221.170
Base-Backbone interact. energy: 0.049
local terms energy: -199.919177
where:
bonds (distance) C4'-P energy: -28.116
bonds (distance) P-C4' energy: -44.466
flat angles C4'-P-C4' energy: -42.186
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: -57.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -664.262621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.262621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.262621 (E_RNA)
where:
Base-Base interactions energy: -448.442
where: short stacking energy: -185.353
Base-Backbone interact. energy: -0.792
local terms energy: -215.028509
where:
bonds (distance) C4'-P energy: -40.348
bonds (distance) P-C4' energy: -40.718
flat angles C4'-P-C4' energy: -51.695
flat angles P-C4'-P energy: -30.724
tors. eta vs tors. theta energy: -51.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -633.815181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.815181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.815181 (E_RNA)
where:
Base-Base interactions energy: -440.609
where: short stacking energy: -183.459
Base-Backbone interact. energy: 0.015
local terms energy: -193.221000
where:
bonds (distance) C4'-P energy: -29.365
bonds (distance) P-C4' energy: -50.721
flat angles C4'-P-C4' energy: -47.731
flat angles P-C4'-P energy: -16.300
tors. eta vs tors. theta energy: -49.104
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: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -429.759408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.759408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.759408 (E_RNA)
where:
Base-Base interactions energy: -252.790
where: short stacking energy: -138.516
Base-Backbone interact. energy: -1.282
local terms energy: -175.688201
where:
bonds (distance) C4'-P energy: -41.223
bonds (distance) P-C4' energy: -44.814
flat angles C4'-P-C4' energy: -40.938
flat angles P-C4'-P energy: -21.667
tors. eta vs tors. theta energy: -27.046
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: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -224.865273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.865273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.865273 (E_RNA)
where:
Base-Base interactions energy: -95.697
where: short stacking energy: -66.663
Base-Backbone interact. energy: -0.388
local terms energy: -128.780642
where:
bonds (distance) C4'-P energy: -42.402
bonds (distance) P-C4' energy: -45.035
flat angles C4'-P-C4' energy: -34.433
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: 3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -334.429937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.429937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.429937 (E_RNA)
where:
Base-Base interactions energy: -167.797
where: short stacking energy: -92.252
Base-Backbone interact. energy: -0.162
local terms energy: -166.470502
where:
bonds (distance) C4'-P energy: -42.481
bonds (distance) P-C4' energy: -50.128
flat angles C4'-P-C4' energy: -40.319
flat angles P-C4'-P energy: -22.678
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: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -842.799946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.799946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.799946 (E_RNA)
where:
Base-Base interactions energy: -585.893
where: short stacking energy: -261.876
Base-Backbone interact. energy: -0.012
local terms energy: -256.895227
where:
bonds (distance) C4'-P energy: -39.092
bonds (distance) P-C4' energy: -51.514
flat angles C4'-P-C4' energy: -53.560
flat angles P-C4'-P energy: -37.792
tors. eta vs tors. theta energy: -74.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -780.101012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.101012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.101012 (E_RNA)
where:
Base-Base interactions energy: -553.500
where: short stacking energy: -224.314
Base-Backbone interact. energy: 0.942
local terms energy: -227.543112
where:
bonds (distance) C4'-P energy: -43.622
bonds (distance) P-C4' energy: -37.564
flat angles C4'-P-C4' energy: -51.067
flat angles P-C4'-P energy: -34.194
tors. eta vs tors. theta energy: -61.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -730.114002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.114002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.114002 (E_RNA)
where:
Base-Base interactions energy: -501.162
where: short stacking energy: -224.162
Base-Backbone interact. energy: -1.013
local terms energy: -227.938690
where:
bonds (distance) C4'-P energy: -31.797
bonds (distance) P-C4' energy: -42.102
flat angles C4'-P-C4' energy: -55.026
flat angles P-C4'-P energy: -40.154
tors. eta vs tors. theta energy: -58.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -726.338475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.338475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.338475 (E_RNA)
where:
Base-Base interactions energy: -498.579
where: short stacking energy: -202.377
Base-Backbone interact. energy: -2.981
local terms energy: -224.778428
where:
bonds (distance) C4'-P energy: -38.554
bonds (distance) P-C4' energy: -43.771
flat angles C4'-P-C4' energy: -44.291
flat angles P-C4'-P energy: -34.950
tors. eta vs tors. theta energy: -63.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -682.727797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.727797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.727797 (E_RNA)
where:
Base-Base interactions energy: -459.219
where: short stacking energy: -188.226
Base-Backbone interact. energy: -0.414
local terms energy: -223.094196
where:
bonds (distance) C4'-P energy: -45.364
bonds (distance) P-C4' energy: -42.192
flat angles C4'-P-C4' energy: -49.756
flat angles P-C4'-P energy: -32.716
tors. eta vs tors. theta energy: -53.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -677.039800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.039800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.039800 (E_RNA)
where:
Base-Base interactions energy: -468.094
where: short stacking energy: -203.808
Base-Backbone interact. energy: 1.879
local terms energy: -210.824005
where:
bonds (distance) C4'-P energy: -40.186
bonds (distance) P-C4' energy: -34.980
flat angles C4'-P-C4' energy: -50.611
flat angles P-C4'-P energy: -33.203
tors. eta vs tors. theta energy: -51.844
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: 63
Temperature: 1.200000
Total energy: -631.249538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.249538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.249538 (E_RNA)
where:
Base-Base interactions energy: -436.739
where: short stacking energy: -174.595
Base-Backbone interact. energy: 0.408
local terms energy: -194.918037
where:
bonds (distance) C4'-P energy: -36.957
bonds (distance) P-C4' energy: -38.379
flat angles C4'-P-C4' energy: -43.105
flat angles P-C4'-P energy: -31.023
tors. eta vs tors. theta energy: -45.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -480.071424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.071424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.071424 (E_RNA)
where:
Base-Base interactions energy: -303.026
where: short stacking energy: -158.194
Base-Backbone interact. energy: -0.815
local terms energy: -176.230939
where:
bonds (distance) C4'-P energy: -31.761
bonds (distance) P-C4' energy: -39.987
flat angles C4'-P-C4' energy: -46.009
flat angles P-C4'-P energy: -22.807
tors. eta vs tors. theta energy: -35.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -277.307098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.307098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.307098 (E_RNA)
where:
Base-Base interactions energy: -150.263
where: short stacking energy: -74.842
Base-Backbone interact. energy: -0.904
local terms energy: -126.140576
where:
bonds (distance) C4'-P energy: -43.750
bonds (distance) P-C4' energy: -37.448
flat angles C4'-P-C4' energy: -23.120
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -346.012598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.012598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.012598 (E_RNA)
where:
Base-Base interactions energy: -198.355
where: short stacking energy: -110.210
Base-Backbone interact. energy: -0.997
local terms energy: -146.660822
where:
bonds (distance) C4'-P energy: -42.797
bonds (distance) P-C4' energy: -37.641
flat angles C4'-P-C4' energy: -34.352
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -21.259
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: 5
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -841.814636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.814636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.814636 (E_RNA)
where:
Base-Base interactions energy: -578.114
where: short stacking energy: -265.032
Base-Backbone interact. energy: -0.522
local terms energy: -263.177790
where:
bonds (distance) C4'-P energy: -42.514
bonds (distance) P-C4' energy: -47.650
flat angles C4'-P-C4' energy: -60.133
flat angles P-C4'-P energy: -33.145
tors. eta vs tors. theta energy: -79.735
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: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -784.158914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.158914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.158914 (E_RNA)
where:
Base-Base interactions energy: -544.349
where: short stacking energy: -221.702
Base-Backbone interact. energy: -2.402
local terms energy: -237.407399
where:
bonds (distance) C4'-P energy: -44.127
bonds (distance) P-C4' energy: -43.912
flat angles C4'-P-C4' energy: -51.917
flat angles P-C4'-P energy: -33.825
tors. eta vs tors. theta energy: -63.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -734.607355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.607355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.607355 (E_RNA)
where:
Base-Base interactions energy: -514.439
where: short stacking energy: -218.319
Base-Backbone interact. energy: -0.215
local terms energy: -219.953568
where:
bonds (distance) C4'-P energy: -45.439
bonds (distance) P-C4' energy: -40.919
flat angles C4'-P-C4' energy: -45.604
flat angles P-C4'-P energy: -29.131
tors. eta vs tors. theta energy: -58.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -692.498801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.498801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.498801 (E_RNA)
where:
Base-Base interactions energy: -476.513
where: short stacking energy: -204.385
Base-Backbone interact. energy: -0.366
local terms energy: -215.619797
where:
bonds (distance) C4'-P energy: -43.163
bonds (distance) P-C4' energy: -39.684
flat angles C4'-P-C4' energy: -47.601
flat angles P-C4'-P energy: -31.256
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: 5, replica: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -685.044299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.044299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.044299 (E_RNA)
where:
Base-Base interactions energy: -471.476
where: short stacking energy: -179.585
Base-Backbone interact. energy: -0.497
local terms energy: -213.071271
where:
bonds (distance) C4'-P energy: -38.143
bonds (distance) P-C4' energy: -47.255
flat angles C4'-P-C4' energy: -40.855
flat angles P-C4'-P energy: -36.677
tors. eta vs tors. theta energy: -50.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -656.441029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.441029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.441029 (E_RNA)
where:
Base-Base interactions energy: -438.762
where: short stacking energy: -193.137
Base-Backbone interact. energy: -1.555
local terms energy: -216.124650
where:
bonds (distance) C4'-P energy: -43.188
bonds (distance) P-C4' energy: -46.758
flat angles C4'-P-C4' energy: -48.561
flat angles P-C4'-P energy: -32.018
tors. eta vs tors. theta energy: -45.599
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: 7, replica: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -623.152395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.152395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.152395 (E_RNA)
where:
Base-Base interactions energy: -432.905
where: short stacking energy: -181.165
Base-Backbone interact. energy: -0.912
local terms energy: -189.334951
where:
bonds (distance) C4'-P energy: -34.039
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -56.473
flat angles P-C4'-P energy: -22.887
tors. eta vs tors. theta energy: -46.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -435.454157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.454157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.454157 (E_RNA)
where:
Base-Base interactions energy: -276.574
where: short stacking energy: -145.614
Base-Backbone interact. energy: 1.143
local terms energy: -160.023184
where:
bonds (distance) C4'-P energy: -36.000
bonds (distance) P-C4' energy: -39.015
flat angles C4'-P-C4' energy: -34.687
flat angles P-C4'-P energy: -23.922
tors. eta vs tors. theta energy: -26.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -413.511659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.511659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.511659 (E_RNA)
where:
Base-Base interactions energy: -262.750
where: short stacking energy: -118.080
Base-Backbone interact. energy: 0.498
local terms energy: -151.259462
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -37.984
flat angles C4'-P-C4' energy: -40.227
flat angles P-C4'-P energy: -26.095
tors. eta vs tors. theta energy: -21.799
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: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -241.127958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.127958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.127958 (E_RNA)
where:
Base-Base interactions energy: -110.374
where: short stacking energy: -64.044
Base-Backbone interact. energy: -0.620
local terms energy: -130.134732
where:
bonds (distance) C4'-P energy: -36.652
bonds (distance) P-C4' energy: -42.864
flat angles C4'-P-C4' energy: -29.853
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -843.341980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.341980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.341980 (E_RNA)
where:
Base-Base interactions energy: -581.048
where: short stacking energy: -261.733
Base-Backbone interact. energy: -0.783
local terms energy: -261.510660
where:
bonds (distance) C4'-P energy: -40.140
bonds (distance) P-C4' energy: -54.025
flat angles C4'-P-C4' energy: -49.648
flat angles P-C4'-P energy: -39.171
tors. eta vs tors. theta energy: -78.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -782.643893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.643893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.643893 (E_RNA)
where:
Base-Base interactions energy: -545.791
where: short stacking energy: -217.504
Base-Backbone interact. energy: -2.059
local terms energy: -234.794004
where:
bonds (distance) C4'-P energy: -42.889
bonds (distance) P-C4' energy: -47.311
flat angles C4'-P-C4' energy: -48.236
flat angles P-C4'-P energy: -33.025
tors. eta vs tors. theta energy: -63.333
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: 6
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -754.428891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.428891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.428891 (E_RNA)
where:
Base-Base interactions energy: -539.013
where: short stacking energy: -220.950
Base-Backbone interact. energy: 1.107
local terms energy: -216.523216
where:
bonds (distance) C4'-P energy: -34.852
bonds (distance) P-C4' energy: -46.268
flat angles C4'-P-C4' energy: -48.451
flat angles P-C4'-P energy: -33.295
tors. eta vs tors. theta energy: -53.656
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: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -705.852233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.852233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.852233 (E_RNA)
where:
Base-Base interactions energy: -480.869
where: short stacking energy: -210.063
Base-Backbone interact. energy: -1.403
local terms energy: -223.579948
where:
bonds (distance) C4'-P energy: -40.857
bonds (distance) P-C4' energy: -53.716
flat angles C4'-P-C4' energy: -43.826
flat angles P-C4'-P energy: -28.138
tors. eta vs tors. theta energy: -57.043
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: 7
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -700.877335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.877335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.877335 (E_RNA)
where:
Base-Base interactions energy: -469.613
where: short stacking energy: -197.059
Base-Backbone interact. energy: 0.010
local terms energy: -231.274605
where:
bonds (distance) C4'-P energy: -39.707
bonds (distance) P-C4' energy: -52.822
flat angles C4'-P-C4' energy: -49.498
flat angles P-C4'-P energy: -31.363
tors. eta vs tors. theta energy: -57.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -651.922841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.922841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.922841 (E_RNA)
where:
Base-Base interactions energy: -455.185
where: short stacking energy: -188.611
Base-Backbone interact. energy: -0.662
local terms energy: -196.075968
where:
bonds (distance) C4'-P energy: -47.811
bonds (distance) P-C4' energy: -24.004
flat angles C4'-P-C4' energy: -45.574
flat angles P-C4'-P energy: -27.698
tors. eta vs tors. theta energy: -50.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -610.570637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.570637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.570637 (E_RNA)
where:
Base-Base interactions energy: -423.445
where: short stacking energy: -187.754
Base-Backbone interact. energy: -0.306
local terms energy: -186.819601
where:
bonds (distance) C4'-P energy: -39.354
bonds (distance) P-C4' energy: -37.200
flat angles C4'-P-C4' energy: -41.884
flat angles P-C4'-P energy: -27.597
tors. eta vs tors. theta energy: -40.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -472.724948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.724948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.724948 (E_RNA)
where:
Base-Base interactions energy: -294.789
where: short stacking energy: -135.664
Base-Backbone interact. energy: -0.456
local terms energy: -177.479635
where:
bonds (distance) C4'-P energy: -33.985
bonds (distance) P-C4' energy: -47.954
flat angles C4'-P-C4' energy: -45.903
flat angles P-C4'-P energy: -29.122
tors. eta vs tors. theta energy: -20.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -431.237170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.237170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.237170 (E_RNA)
where:
Base-Base interactions energy: -262.432
where: short stacking energy: -114.780
Base-Backbone interact. energy: -1.629
local terms energy: -167.176327
where:
bonds (distance) C4'-P energy: -34.620
bonds (distance) P-C4' energy: -37.600
flat angles C4'-P-C4' energy: -39.725
flat angles P-C4'-P energy: -31.198
tors. eta vs tors. theta energy: -24.033
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: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -230.691561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.691561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.691561 (E_RNA)
where:
Base-Base interactions energy: -106.683
where: short stacking energy: -69.718
Base-Backbone interact. energy: -0.696
local terms energy: -123.312440
where:
bonds (distance) C4'-P energy: -39.725
bonds (distance) P-C4' energy: -29.432
flat angles C4'-P-C4' energy: -40.722
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: 3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -853.218318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.218318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.218318 (E_RNA)
where:
Base-Base interactions energy: -588.977
where: short stacking energy: -255.161
Base-Backbone interact. energy: -0.444
local terms energy: -263.797868
where:
bonds (distance) C4'-P energy: -47.738
bonds (distance) P-C4' energy: -46.925
flat angles C4'-P-C4' energy: -57.228
flat angles P-C4'-P energy: -37.301
tors. eta vs tors. theta energy: -74.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -796.946675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.946675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.946675 (E_RNA)
where:
Base-Base interactions energy: -557.447
where: short stacking energy: -236.007
Base-Backbone interact. energy: -2.707
local terms energy: -236.792415
where:
bonds (distance) C4'-P energy: -40.748
bonds (distance) P-C4' energy: -43.667
flat angles C4'-P-C4' energy: -50.615
flat angles P-C4'-P energy: -37.881
tors. eta vs tors. theta energy: -63.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -758.272614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.272614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.272614 (E_RNA)
where:
Base-Base interactions energy: -521.160
where: short stacking energy: -221.790
Base-Backbone interact. energy: -0.657
local terms energy: -236.455996
where:
bonds (distance) C4'-P energy: -44.232
bonds (distance) P-C4' energy: -47.047
flat angles C4'-P-C4' energy: -47.847
flat angles P-C4'-P energy: -40.747
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: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -709.621764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.621764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.621764 (E_RNA)
where:
Base-Base interactions energy: -496.151
where: short stacking energy: -213.101
Base-Backbone interact. energy: -0.712
local terms energy: -212.759502
where:
bonds (distance) C4'-P energy: -38.210
bonds (distance) P-C4' energy: -50.392
flat angles C4'-P-C4' energy: -44.692
flat angles P-C4'-P energy: -24.984
tors. eta vs tors. theta energy: -54.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -682.257093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.257093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.257093 (E_RNA)
where:
Base-Base interactions energy: -467.978
where: short stacking energy: -199.541
Base-Backbone interact. energy: -1.278
local terms energy: -213.001623
where:
bonds (distance) C4'-P energy: -39.140
bonds (distance) P-C4' energy: -44.236
flat angles C4'-P-C4' energy: -48.470
flat angles P-C4'-P energy: -36.769
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: 6, replica: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -701.557624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.557624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.557624 (E_RNA)
where:
Base-Base interactions energy: -478.672
where: short stacking energy: -191.971
Base-Backbone interact. energy: -4.270
local terms energy: -218.615782
where:
bonds (distance) C4'-P energy: -45.106
bonds (distance) P-C4' energy: -45.613
flat angles C4'-P-C4' energy: -49.695
flat angles P-C4'-P energy: -23.404
tors. eta vs tors. theta energy: -54.797
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: 66
Temperature: 1.200000
Total energy: -597.208186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.208186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.208186 (E_RNA)
where:
Base-Base interactions energy: -393.893
where: short stacking energy: -169.997
Base-Backbone interact. energy: -0.997
local terms energy: -202.317674
where:
bonds (distance) C4'-P energy: -38.421
bonds (distance) P-C4' energy: -41.298
flat angles C4'-P-C4' energy: -45.230
flat angles P-C4'-P energy: -34.618
tors. eta vs tors. theta energy: -42.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -493.680584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.680584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.680584 (E_RNA)
where:
Base-Base interactions energy: -295.641
where: short stacking energy: -141.276
Base-Backbone interact. energy: -0.153
local terms energy: -197.886187
where:
bonds (distance) C4'-P energy: -48.091
bonds (distance) P-C4' energy: -48.248
flat angles C4'-P-C4' energy: -45.156
flat angles P-C4'-P energy: -24.002
tors. eta vs tors. theta energy: -32.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -431.039917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.039917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.039917 (E_RNA)
where:
Base-Base interactions energy: -264.545
where: short stacking energy: -133.119
Base-Backbone interact. energy: -1.276
local terms energy: -165.218664
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -42.529
flat angles C4'-P-C4' energy: -42.439
flat angles P-C4'-P energy: -23.152
tors. eta vs tors. theta energy: -26.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -223.930951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.930951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.930951 (E_RNA)
where:
Base-Base interactions energy: -81.761
where: short stacking energy: -62.101
Base-Backbone interact. energy: 2.031
local terms energy: -144.201228
where:
bonds (distance) C4'-P energy: -40.812
bonds (distance) P-C4' energy: -44.904
flat angles C4'-P-C4' energy: -42.622
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: 1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -841.050022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.050022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.050022 (E_RNA)
where:
Base-Base interactions energy: -586.275
where: short stacking energy: -240.256
Base-Backbone interact. energy: -0.014
local terms energy: -254.761368
where:
bonds (distance) C4'-P energy: -42.744
bonds (distance) P-C4' energy: -49.716
flat angles C4'-P-C4' energy: -54.711
flat angles P-C4'-P energy: -36.355
tors. eta vs tors. theta energy: -71.235
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: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -802.122071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.122071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.122071 (E_RNA)
where:
Base-Base interactions energy: -539.214
where: short stacking energy: -218.734
Base-Backbone interact. energy: -0.193
local terms energy: -262.714517
where:
bonds (distance) C4'-P energy: -47.756
bonds (distance) P-C4' energy: -45.229
flat angles C4'-P-C4' energy: -58.345
flat angles P-C4'-P energy: -41.636
tors. eta vs tors. theta energy: -69.748
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: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -757.635144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.635144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.635144 (E_RNA)
where:
Base-Base interactions energy: -521.212
where: short stacking energy: -238.915
Base-Backbone interact. energy: 0.364
local terms energy: -236.787365
where:
bonds (distance) C4'-P energy: -45.267
bonds (distance) P-C4' energy: -43.091
flat angles C4'-P-C4' energy: -53.405
flat angles P-C4'-P energy: -33.123
tors. eta vs tors. theta energy: -61.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -692.741214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.741214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.741214 (E_RNA)
where:
Base-Base interactions energy: -474.493
where: short stacking energy: -205.341
Base-Backbone interact. energy: -0.440
local terms energy: -217.807683
where:
bonds (distance) C4'-P energy: -43.626
bonds (distance) P-C4' energy: -41.286
flat angles C4'-P-C4' energy: -45.728
flat angles P-C4'-P energy: -30.201
tors. eta vs tors. theta energy: -56.967
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: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -677.049539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.049539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.049539 (E_RNA)
where:
Base-Base interactions energy: -465.277
where: short stacking energy: -196.719
Base-Backbone interact. energy: -0.159
local terms energy: -211.613834
where:
bonds (distance) C4'-P energy: -40.547
bonds (distance) P-C4' energy: -45.342
flat angles C4'-P-C4' energy: -44.834
flat angles P-C4'-P energy: -29.768
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: 6, replica: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -717.118867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.118867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.118867 (E_RNA)
where:
Base-Base interactions energy: -502.192
where: short stacking energy: -209.014
Base-Backbone interact. energy: -2.050
local terms energy: -212.875957
where:
bonds (distance) C4'-P energy: -37.374
bonds (distance) P-C4' energy: -41.823
flat angles C4'-P-C4' energy: -46.637
flat angles P-C4'-P energy: -33.060
tors. eta vs tors. theta energy: -53.982
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: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -597.456843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.456843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.456843 (E_RNA)
where:
Base-Base interactions energy: -406.187
where: short stacking energy: -182.459
Base-Backbone interact. energy: -0.174
local terms energy: -191.096024
where:
bonds (distance) C4'-P energy: -41.008
bonds (distance) P-C4' energy: -38.414
flat angles C4'-P-C4' energy: -45.596
flat angles P-C4'-P energy: -20.503
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: 8, replica: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -474.725472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.725472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.725472 (E_RNA)
where:
Base-Base interactions energy: -299.442
where: short stacking energy: -133.652
Base-Backbone interact. energy: -0.565
local terms energy: -174.717712
where:
bonds (distance) C4'-P energy: -39.316
bonds (distance) P-C4' energy: -45.881
flat angles C4'-P-C4' energy: -46.757
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -24.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -427.065973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.065973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.065973 (E_RNA)
where:
Base-Base interactions energy: -254.174
where: short stacking energy: -128.578
Base-Backbone interact. energy: -0.632
local terms energy: -172.260038
where:
bonds (distance) C4'-P energy: -46.014
bonds (distance) P-C4' energy: -42.003
flat angles C4'-P-C4' energy: -38.111
flat angles P-C4'-P energy: -23.460
tors. eta vs tors. theta energy: -22.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -222.214190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.214190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.214190 (E_RNA)
where:
Base-Base interactions energy: -83.347
where: short stacking energy: -81.489
Base-Backbone interact. energy: -0.927
local terms energy: -137.939750
where:
bonds (distance) C4'-P energy: -33.502
bonds (distance) P-C4' energy: -34.267
flat angles C4'-P-C4' energy: -41.168
flat angles P-C4'-P energy: -23.267
tors. eta vs tors. theta energy: -5.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -833.324445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.324445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.324445 (E_RNA)
where:
Base-Base interactions energy: -577.976
where: short stacking energy: -242.546
Base-Backbone interact. energy: -1.046
local terms energy: -254.302354
where:
bonds (distance) C4'-P energy: -42.824
bonds (distance) P-C4' energy: -43.360
flat angles C4'-P-C4' energy: -57.251
flat angles P-C4'-P energy: -31.791
tors. eta vs tors. theta energy: -79.076
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: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -784.669724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.669724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.669724 (E_RNA)
where:
Base-Base interactions energy: -541.656
where: short stacking energy: -230.898
Base-Backbone interact. energy: -1.953
local terms energy: -241.060134
where:
bonds (distance) C4'-P energy: -42.499
bonds (distance) P-C4' energy: -43.401
flat angles C4'-P-C4' energy: -51.559
flat angles P-C4'-P energy: -35.683
tors. eta vs tors. theta energy: -67.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -754.484866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.484866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.484866 (E_RNA)
where:
Base-Base interactions energy: -522.832
where: short stacking energy: -231.089
Base-Backbone interact. energy: -0.592
local terms energy: -231.060389
where:
bonds (distance) C4'-P energy: -38.302
bonds (distance) P-C4' energy: -46.514
flat angles C4'-P-C4' energy: -50.022
flat angles P-C4'-P energy: -35.847
tors. eta vs tors. theta energy: -60.376
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: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -706.799854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.799854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.799854 (E_RNA)
where:
Base-Base interactions energy: -484.115
where: short stacking energy: -205.418
Base-Backbone interact. energy: -3.240
local terms energy: -219.445226
where:
bonds (distance) C4'-P energy: -41.544
bonds (distance) P-C4' energy: -51.599
flat angles C4'-P-C4' energy: -47.688
flat angles P-C4'-P energy: -28.005
tors. eta vs tors. theta energy: -50.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -722.455310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.455310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.455310 (E_RNA)
where:
Base-Base interactions energy: -514.570
where: short stacking energy: -208.766
Base-Backbone interact. energy: -0.769
local terms energy: -207.116319
where:
bonds (distance) C4'-P energy: -31.512
bonds (distance) P-C4' energy: -35.482
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -31.967
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: 6, replica: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -677.741738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.741738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.741738 (E_RNA)
where:
Base-Base interactions energy: -469.708
where: short stacking energy: -194.060
Base-Backbone interact. energy: -1.173
local terms energy: -206.860907
where:
bonds (distance) C4'-P energy: -40.836
bonds (distance) P-C4' energy: -40.562
flat angles C4'-P-C4' energy: -45.256
flat angles P-C4'-P energy: -31.337
tors. eta vs tors. theta energy: -48.870
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: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -589.393310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.393310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.393310 (E_RNA)
where:
Base-Base interactions energy: -383.973
where: short stacking energy: -164.254
Base-Backbone interact. energy: -0.064
local terms energy: -205.355712
where:
bonds (distance) C4'-P energy: -40.662
bonds (distance) P-C4' energy: -43.163
flat angles C4'-P-C4' energy: -50.238
flat angles P-C4'-P energy: -26.419
tors. eta vs tors. theta energy: -44.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -509.389706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.389706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.389706 (E_RNA)
where:
Base-Base interactions energy: -329.575
where: short stacking energy: -153.321
Base-Backbone interact. energy: 0.995
local terms energy: -180.809803
where:
bonds (distance) C4'-P energy: -42.390
bonds (distance) P-C4' energy: -41.233
flat angles C4'-P-C4' energy: -46.925
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: -28.082
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: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -356.101072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.101072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.101072 (E_RNA)
where:
Base-Base interactions energy: -201.292
where: short stacking energy: -91.548
Base-Backbone interact. energy: 4.434
local terms energy: -159.242603
where:
bonds (distance) C4'-P energy: -38.635
bonds (distance) P-C4' energy: -41.934
flat angles C4'-P-C4' energy: -42.583
flat angles P-C4'-P energy: -26.633
tors. eta vs tors. theta energy: -9.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -209.419094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.419094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.419094 (E_RNA)
where:
Base-Base interactions energy: -77.436
where: short stacking energy: -76.847
Base-Backbone interact. energy: 2.314
local terms energy: -134.297330
where:
bonds (distance) C4'-P energy: -44.541
bonds (distance) P-C4' energy: -34.647
flat angles C4'-P-C4' energy: -30.745
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -3.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -861.138205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.138205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.138205 (E_RNA)
where:
Base-Base interactions energy: -599.277
where: short stacking energy: -254.800
Base-Backbone interact. energy: -0.686
local terms energy: -261.175675
where:
bonds (distance) C4'-P energy: -49.635
bonds (distance) P-C4' energy: -46.258
flat angles C4'-P-C4' energy: -51.708
flat angles P-C4'-P energy: -36.377
tors. eta vs tors. theta energy: -77.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -795.652823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.652823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.652823 (E_RNA)
where:
Base-Base interactions energy: -548.026
where: short stacking energy: -227.804
Base-Backbone interact. energy: -1.067
local terms energy: -246.559903
where:
bonds (distance) C4'-P energy: -47.695
bonds (distance) P-C4' energy: -43.406
flat angles C4'-P-C4' energy: -49.489
flat angles P-C4'-P energy: -44.108
tors. eta vs tors. theta energy: -61.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -751.823427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.823427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.823427 (E_RNA)
where:
Base-Base interactions energy: -522.381
where: short stacking energy: -226.163
Base-Backbone interact. energy: -1.994
local terms energy: -227.448398
where:
bonds (distance) C4'-P energy: -43.338
bonds (distance) P-C4' energy: -44.414
flat angles C4'-P-C4' energy: -46.803
flat angles P-C4'-P energy: -26.486
tors. eta vs tors. theta energy: -66.407
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: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -757.296009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.296009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.296009 (E_RNA)
where:
Base-Base interactions energy: -530.736
where: short stacking energy: -220.182
Base-Backbone interact. energy: 1.417
local terms energy: -227.976812
where:
bonds (distance) C4'-P energy: -42.837
bonds (distance) P-C4' energy: -49.703
flat angles C4'-P-C4' energy: -49.066
flat angles P-C4'-P energy: -27.146
tors. eta vs tors. theta energy: -59.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -667.177491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.177491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.177491 (E_RNA)
where:
Base-Base interactions energy: -474.478
where: short stacking energy: -201.774
Base-Backbone interact. energy: -0.752
local terms energy: -191.947391
where:
bonds (distance) C4'-P energy: -33.714
bonds (distance) P-C4' energy: -39.049
flat angles C4'-P-C4' energy: -40.778
flat angles P-C4'-P energy: -25.452
tors. eta vs tors. theta energy: -52.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -606.206268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.206268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.206268 (E_RNA)
where:
Base-Base interactions energy: -405.801
where: short stacking energy: -181.333
Base-Backbone interact. energy: -1.930
local terms energy: -198.475258
where:
bonds (distance) C4'-P energy: -37.943
bonds (distance) P-C4' energy: -45.666
flat angles C4'-P-C4' energy: -38.975
flat angles P-C4'-P energy: -33.384
tors. eta vs tors. theta energy: -42.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -640.474320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.474320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.474320 (E_RNA)
where:
Base-Base interactions energy: -429.674
where: short stacking energy: -181.415
Base-Backbone interact. energy: -1.046
local terms energy: -209.754006
where:
bonds (distance) C4'-P energy: -32.238
bonds (distance) P-C4' energy: -48.350
flat angles C4'-P-C4' energy: -49.022
flat angles P-C4'-P energy: -24.657
tors. eta vs tors. theta energy: -55.488
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: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -455.646433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.646433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.646433 (E_RNA)
where:
Base-Base interactions energy: -289.179
where: short stacking energy: -120.614
Base-Backbone interact. energy: 1.205
local terms energy: -167.672812
where:
bonds (distance) C4'-P energy: -29.398
bonds (distance) P-C4' energy: -40.621
flat angles C4'-P-C4' energy: -46.494
flat angles P-C4'-P energy: -32.126
tors. eta vs tors. theta energy: -19.034
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: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -394.408433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.408433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.408433 (E_RNA)
where:
Base-Base interactions energy: -225.630
where: short stacking energy: -117.020
Base-Backbone interact. energy: -2.659
local terms energy: -166.119008
where:
bonds (distance) C4'-P energy: -34.165
bonds (distance) P-C4' energy: -48.204
flat angles C4'-P-C4' energy: -32.772
flat angles P-C4'-P energy: -30.182
tors. eta vs tors. theta energy: -20.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -204.243679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.243679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.243679 (E_RNA)
where:
Base-Base interactions energy: -69.673
where: short stacking energy: -60.574
Base-Backbone interact. energy: 0.286
local terms energy: -134.856833
where:
bonds (distance) C4'-P energy: -45.032
bonds (distance) P-C4' energy: -32.651
flat angles C4'-P-C4' energy: -40.927
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -2.002
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: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -851.868962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.868962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.868962 (E_RNA)
where:
Base-Base interactions energy: -593.146
where: short stacking energy: -245.768
Base-Backbone interact. energy: -0.385
local terms energy: -258.337547
where:
bonds (distance) C4'-P energy: -45.841
bonds (distance) P-C4' energy: -45.795
flat angles C4'-P-C4' energy: -53.731
flat angles P-C4'-P energy: -37.714
tors. eta vs tors. theta energy: -75.256
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: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -795.075985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.075985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.075985 (E_RNA)
where:
Base-Base interactions energy: -548.060
where: short stacking energy: -234.052
Base-Backbone interact. energy: 1.563
local terms energy: -248.578214
where:
bonds (distance) C4'-P energy: -43.097
bonds (distance) P-C4' energy: -53.923
flat angles C4'-P-C4' energy: -52.142
flat angles P-C4'-P energy: -40.115
tors. eta vs tors. theta energy: -59.301
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: 3, replica: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -780.743690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.743690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.743690 (E_RNA)
where:
Base-Base interactions energy: -543.319
where: short stacking energy: -221.970
Base-Backbone interact. energy: -1.682
local terms energy: -235.743406
where:
bonds (distance) C4'-P energy: -37.688
bonds (distance) P-C4' energy: -44.835
flat angles C4'-P-C4' energy: -54.011
flat angles P-C4'-P energy: -38.536
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: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -737.881316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.881316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.881316 (E_RNA)
where:
Base-Base interactions energy: -505.209
where: short stacking energy: -217.212
Base-Backbone interact. energy: -0.614
local terms energy: -232.058034
where:
bonds (distance) C4'-P energy: -41.686
bonds (distance) P-C4' energy: -44.412
flat angles C4'-P-C4' energy: -48.552
flat angles P-C4'-P energy: -35.947
tors. eta vs tors. theta energy: -61.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -680.375474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.375474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.375474 (E_RNA)
where:
Base-Base interactions energy: -464.087
where: short stacking energy: -196.818
Base-Backbone interact. energy: 1.277
local terms energy: -217.565598
where:
bonds (distance) C4'-P energy: -38.906
bonds (distance) P-C4' energy: -44.830
flat angles C4'-P-C4' energy: -50.520
flat angles P-C4'-P energy: -35.780
tors. eta vs tors. theta energy: -47.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -621.901478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.901478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.901478 (E_RNA)
where:
Base-Base interactions energy: -434.188
where: short stacking energy: -175.244
Base-Backbone interact. energy: 0.945
local terms energy: -188.658244
where:
bonds (distance) C4'-P energy: -37.687
bonds (distance) P-C4' energy: -41.490
flat angles C4'-P-C4' energy: -44.151
flat angles P-C4'-P energy: -25.619
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: 7, replica: 9
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -642.611390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.611390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.611390 (E_RNA)
where:
Base-Base interactions energy: -438.888
where: short stacking energy: -180.271
Base-Backbone interact. energy: -0.505
local terms energy: -203.218685
where:
bonds (distance) C4'-P energy: -33.457
bonds (distance) P-C4' energy: -44.185
flat angles C4'-P-C4' energy: -49.699
flat angles P-C4'-P energy: -24.398
tors. eta vs tors. theta energy: -51.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -495.585717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.585717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.585717 (E_RNA)
where:
Base-Base interactions energy: -313.432
where: short stacking energy: -139.627
Base-Backbone interact. energy: -2.131
local terms energy: -180.023126
where:
bonds (distance) C4'-P energy: -35.879
bonds (distance) P-C4' energy: -40.713
flat angles C4'-P-C4' energy: -41.339
flat angles P-C4'-P energy: -31.397
tors. eta vs tors. theta energy: -30.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -370.756973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.756973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.756973 (E_RNA)
where:
Base-Base interactions energy: -217.100
where: short stacking energy: -109.926
Base-Backbone interact. energy: 0.902
local terms energy: -154.559324
where:
bonds (distance) C4'-P energy: -45.088
bonds (distance) P-C4' energy: -35.734
flat angles C4'-P-C4' energy: -27.640
flat angles P-C4'-P energy: -26.741
tors. eta vs tors. theta energy: -19.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -239.802761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.802761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.802761 (E_RNA)
where:
Base-Base interactions energy: -123.969
where: short stacking energy: -70.866
Base-Backbone interact. energy: -0.785
local terms energy: -115.048226
where:
bonds (distance) C4'-P energy: -29.109
bonds (distance) P-C4' energy: -45.775
flat angles C4'-P-C4' energy: -26.354
flat angles P-C4'-P energy: -22.599
tors. eta vs tors. theta energy: 8.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -844.950278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.950278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.950278 (E_RNA)
where:
Base-Base interactions energy: -595.025
where: short stacking energy: -261.487
Base-Backbone interact. energy: -1.777
local terms energy: -248.148835
where:
bonds (distance) C4'-P energy: -42.182
bonds (distance) P-C4' energy: -38.232
flat angles C4'-P-C4' energy: -50.523
flat angles P-C4'-P energy: -37.620
tors. eta vs tors. theta energy: -79.592
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: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -773.308072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.308072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.308072 (E_RNA)
where:
Base-Base interactions energy: -542.344
where: short stacking energy: -219.422
Base-Backbone interact. energy: -3.919
local terms energy: -227.045169
where:
bonds (distance) C4'-P energy: -47.525
bonds (distance) P-C4' energy: -38.168
flat angles C4'-P-C4' energy: -49.963
flat angles P-C4'-P energy: -35.991
tors. eta vs tors. theta energy: -55.398
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: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -779.215762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.215762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.215762 (E_RNA)
where:
Base-Base interactions energy: -535.068
where: short stacking energy: -222.012
Base-Backbone interact. energy: 0.468
local terms energy: -244.615381
where:
bonds (distance) C4'-P energy: -45.632
bonds (distance) P-C4' energy: -46.150
flat angles C4'-P-C4' energy: -50.156
flat angles P-C4'-P energy: -43.293
tors. eta vs tors. theta energy: -59.384
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: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -692.470617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.470617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.470617 (E_RNA)
where:
Base-Base interactions energy: -487.292
where: short stacking energy: -199.503
Base-Backbone interact. energy: -2.861
local terms energy: -202.318317
where:
bonds (distance) C4'-P energy: -44.161
bonds (distance) P-C4' energy: -39.809
flat angles C4'-P-C4' energy: -40.176
flat angles P-C4'-P energy: -27.165
tors. eta vs tors. theta energy: -51.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -723.169065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.169065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.169065 (E_RNA)
where:
Base-Base interactions energy: -504.052
where: short stacking energy: -216.964
Base-Backbone interact. energy: -0.400
local terms energy: -218.717268
where:
bonds (distance) C4'-P energy: -35.575
bonds (distance) P-C4' energy: -40.057
flat angles C4'-P-C4' energy: -48.388
flat angles P-C4'-P energy: -34.056
tors. eta vs tors. theta energy: -60.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -659.641024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.641024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.641024 (E_RNA)
where:
Base-Base interactions energy: -446.998
where: short stacking energy: -191.690
Base-Backbone interact. energy: -0.259
local terms energy: -212.383442
where:
bonds (distance) C4'-P energy: -28.880
bonds (distance) P-C4' energy: -48.170
flat angles C4'-P-C4' energy: -52.144
flat angles P-C4'-P energy: -33.199
tors. eta vs tors. theta energy: -49.990
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: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -621.067318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.067318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.067318 (E_RNA)
where:
Base-Base interactions energy: -411.975
where: short stacking energy: -174.311
Base-Backbone interact. energy: -0.587
local terms energy: -208.504921
where:
bonds (distance) C4'-P energy: -36.075
bonds (distance) P-C4' energy: -46.557
flat angles C4'-P-C4' energy: -46.566
flat angles P-C4'-P energy: -33.983
tors. eta vs tors. theta energy: -45.324
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: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -501.756227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.756227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.756227 (E_RNA)
where:
Base-Base interactions energy: -313.042
where: short stacking energy: -151.647
Base-Backbone interact. energy: -0.005
local terms energy: -188.709156
where:
bonds (distance) C4'-P energy: -36.372
bonds (distance) P-C4' energy: -42.758
flat angles C4'-P-C4' energy: -38.965
flat angles P-C4'-P energy: -33.563
tors. eta vs tors. theta energy: -37.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -352.863687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.863687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.863687 (E_RNA)
where:
Base-Base interactions energy: -204.472
where: short stacking energy: -115.905
Base-Backbone interact. energy: 1.988
local terms energy: -150.379419
where:
bonds (distance) C4'-P energy: -37.435
bonds (distance) P-C4' energy: -44.748
flat angles C4'-P-C4' energy: -38.959
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -16.782
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: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -198.469950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.469950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.469950 (E_RNA)
where:
Base-Base interactions energy: -83.575
where: short stacking energy: -66.881
Base-Backbone interact. energy: 2.693
local terms energy: -117.588073
where:
bonds (distance) C4'-P energy: -30.104
bonds (distance) P-C4' energy: -39.654
flat angles C4'-P-C4' energy: -32.961
flat angles P-C4'-P energy: -17.627
tors. eta vs tors. theta energy: 2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -839.495956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.495956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.495956 (E_RNA)
where:
Base-Base interactions energy: -588.465
where: short stacking energy: -266.501
Base-Backbone interact. energy: -0.746
local terms energy: -250.284601
where:
bonds (distance) C4'-P energy: -38.820
bonds (distance) P-C4' energy: -50.934
flat angles C4'-P-C4' energy: -52.118
flat angles P-C4'-P energy: -29.296
tors. eta vs tors. theta energy: -79.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -782.208064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.208064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.208064 (E_RNA)
where:
Base-Base interactions energy: -534.805
where: short stacking energy: -218.057
Base-Backbone interact. energy: 0.633
local terms energy: -248.036175
where:
bonds (distance) C4'-P energy: -44.397
bonds (distance) P-C4' energy: -54.518
flat angles C4'-P-C4' energy: -53.754
flat angles P-C4'-P energy: -36.762
tors. eta vs tors. theta energy: -58.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -777.926088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.926088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.926088 (E_RNA)
where:
Base-Base interactions energy: -547.124
where: short stacking energy: -224.533
Base-Backbone interact. energy: 0.204
local terms energy: -231.006295
where:
bonds (distance) C4'-P energy: -41.839
bonds (distance) P-C4' energy: -46.213
flat angles C4'-P-C4' energy: -50.255
flat angles P-C4'-P energy: -32.849
tors. eta vs tors. theta energy: -59.850
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: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -723.270259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.270259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.270259 (E_RNA)
where:
Base-Base interactions energy: -518.067
where: short stacking energy: -210.080
Base-Backbone interact. energy: -0.585
local terms energy: -204.617914
where:
bonds (distance) C4'-P energy: -36.666
bonds (distance) P-C4' energy: -36.051
flat angles C4'-P-C4' energy: -54.442
flat angles P-C4'-P energy: -19.764
tors. eta vs tors. theta energy: -57.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -734.192153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.192153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.192153 (E_RNA)
where:
Base-Base interactions energy: -495.443
where: short stacking energy: -209.222
Base-Backbone interact. energy: -0.673
local terms energy: -238.075784
where:
bonds (distance) C4'-P energy: -44.668
bonds (distance) P-C4' energy: -55.319
flat angles C4'-P-C4' energy: -41.762
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: -65.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -659.610009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.610009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.610009 (E_RNA)
where:
Base-Base interactions energy: -435.690
where: short stacking energy: -192.346
Base-Backbone interact. energy: -1.048
local terms energy: -222.871615
where:
bonds (distance) C4'-P energy: -38.351
bonds (distance) P-C4' energy: -51.090
flat angles C4'-P-C4' energy: -45.300
flat angles P-C4'-P energy: -33.478
tors. eta vs tors. theta energy: -54.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -671.862624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.862624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.862624 (E_RNA)
where:
Base-Base interactions energy: -488.868
where: short stacking energy: -197.569
Base-Backbone interact. energy: -0.754
local terms energy: -182.241267
where:
bonds (distance) C4'-P energy: -35.260
bonds (distance) P-C4' energy: -36.703
flat angles C4'-P-C4' energy: -41.765
flat angles P-C4'-P energy: -31.073
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: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -482.748665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.748665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.748665 (E_RNA)
where:
Base-Base interactions energy: -312.777
where: short stacking energy: -143.560
Base-Backbone interact. energy: -3.410
local terms energy: -166.562157
where:
bonds (distance) C4'-P energy: -45.847
bonds (distance) P-C4' energy: -34.838
flat angles C4'-P-C4' energy: -40.952
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -27.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -372.678900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.678900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.678900 (E_RNA)
where:
Base-Base interactions energy: -200.211
where: short stacking energy: -109.020
Base-Backbone interact. energy: -0.589
local terms energy: -171.878210
where:
bonds (distance) C4'-P energy: -38.179
bonds (distance) P-C4' energy: -46.912
flat angles C4'-P-C4' energy: -44.428
flat angles P-C4'-P energy: -20.301
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -214.220624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.220624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.220624 (E_RNA)
where:
Base-Base interactions energy: -95.956
where: short stacking energy: -69.000
Base-Backbone interact. energy: -0.040
local terms energy: -118.225534
where:
bonds (distance) C4'-P energy: -45.451
bonds (distance) P-C4' energy: -30.484
flat angles C4'-P-C4' energy: -33.035
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: 7.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -839.727430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.727430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.727430 (E_RNA)
where:
Base-Base interactions energy: -586.905
where: short stacking energy: -254.519
Base-Backbone interact. energy: -0.577
local terms energy: -252.245657
where:
bonds (distance) C4'-P energy: -39.663
bonds (distance) P-C4' energy: -45.032
flat angles C4'-P-C4' energy: -54.981
flat angles P-C4'-P energy: -34.968
tors. eta vs tors. theta energy: -77.601
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: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -787.133649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.133649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.133649 (E_RNA)
where:
Base-Base interactions energy: -553.901
where: short stacking energy: -231.081
Base-Backbone interact. energy: 2.386
local terms energy: -235.618367
where:
bonds (distance) C4'-P energy: -38.496
bonds (distance) P-C4' energy: -48.934
flat angles C4'-P-C4' energy: -52.671
flat angles P-C4'-P energy: -32.976
tors. eta vs tors. theta energy: -62.542
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: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -763.762631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.762631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.762631 (E_RNA)
where:
Base-Base interactions energy: -524.573
where: short stacking energy: -225.928
Base-Backbone interact. energy: -1.813
local terms energy: -237.376540
where:
bonds (distance) C4'-P energy: -46.204
bonds (distance) P-C4' energy: -49.855
flat angles C4'-P-C4' energy: -50.443
flat angles P-C4'-P energy: -27.621
tors. eta vs tors. theta energy: -63.254
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: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -737.800416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.800416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.800416 (E_RNA)
where:
Base-Base interactions energy: -516.218
where: short stacking energy: -184.313
Base-Backbone interact. energy: -2.060
local terms energy: -219.522463
where:
bonds (distance) C4'-P energy: -38.727
bonds (distance) P-C4' energy: -40.577
flat angles C4'-P-C4' energy: -53.107
flat angles P-C4'-P energy: -35.998
tors. eta vs tors. theta energy: -51.114
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: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -649.843496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.843496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.843496 (E_RNA)
where:
Base-Base interactions energy: -457.061
where: short stacking energy: -181.063
Base-Backbone interact. energy: -0.705
local terms energy: -192.078277
where:
bonds (distance) C4'-P energy: -41.330
bonds (distance) P-C4' energy: -39.369
flat angles C4'-P-C4' energy: -49.064
flat angles P-C4'-P energy: -29.394
tors. eta vs tors. theta energy: -32.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -654.465377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.465377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.465377 (E_RNA)
where:
Base-Base interactions energy: -444.774
where: short stacking energy: -194.139
Base-Backbone interact. energy: -1.325
local terms energy: -208.366193
where:
bonds (distance) C4'-P energy: -37.008
bonds (distance) P-C4' energy: -40.026
flat angles C4'-P-C4' energy: -43.966
flat angles P-C4'-P energy: -34.371
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: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -705.541744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.541744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.541744 (E_RNA)
where:
Base-Base interactions energy: -499.529
where: short stacking energy: -205.141
Base-Backbone interact. energy: -1.322
local terms energy: -204.690355
where:
bonds (distance) C4'-P energy: -33.951
bonds (distance) P-C4' energy: -38.221
flat angles C4'-P-C4' energy: -41.774
flat angles P-C4'-P energy: -34.613
tors. eta vs tors. theta energy: -56.131
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: 73
Temperature: 1.250000
Total energy: -511.802338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.802338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.802338 (E_RNA)
where:
Base-Base interactions energy: -325.774
where: short stacking energy: -144.208
Base-Backbone interact. energy: -1.652
local terms energy: -184.376099
where:
bonds (distance) C4'-P energy: -44.557
bonds (distance) P-C4' energy: -48.550
flat angles C4'-P-C4' energy: -43.555
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -30.266
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: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -351.046879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.046879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.046879 (E_RNA)
where:
Base-Base interactions energy: -201.507
where: short stacking energy: -94.614
Base-Backbone interact. energy: -0.681
local terms energy: -148.859264
where:
bonds (distance) C4'-P energy: -38.860
bonds (distance) P-C4' energy: -34.824
flat angles C4'-P-C4' energy: -36.629
flat angles P-C4'-P energy: -25.648
tors. eta vs tors. theta energy: -12.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -202.956105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.956105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.956105 (E_RNA)
where:
Base-Base interactions energy: -73.468
where: short stacking energy: -71.546
Base-Backbone interact. energy: -0.781
local terms energy: -128.707350
where:
bonds (distance) C4'-P energy: -41.103
bonds (distance) P-C4' energy: -44.129
flat angles C4'-P-C4' energy: -37.730
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: 5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -857.980606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.980606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.980606 (E_RNA)
where:
Base-Base interactions energy: -602.795
where: short stacking energy: -249.869
Base-Backbone interact. energy: -0.400
local terms energy: -254.785091
where:
bonds (distance) C4'-P energy: -49.771
bonds (distance) P-C4' energy: -51.628
flat angles C4'-P-C4' energy: -48.474
flat angles P-C4'-P energy: -26.987
tors. eta vs tors. theta energy: -77.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -775.710729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.710729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.710729 (E_RNA)
where:
Base-Base interactions energy: -537.842
where: short stacking energy: -219.475
Base-Backbone interact. energy: -0.997
local terms energy: -236.872135
where:
bonds (distance) C4'-P energy: -44.280
bonds (distance) P-C4' energy: -49.044
flat angles C4'-P-C4' energy: -48.064
flat angles P-C4'-P energy: -34.078
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: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -764.150709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.150709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.150709 (E_RNA)
where:
Base-Base interactions energy: -529.578
where: short stacking energy: -223.426
Base-Backbone interact. energy: -0.021
local terms energy: -234.552152
where:
bonds (distance) C4'-P energy: -36.818
bonds (distance) P-C4' energy: -47.304
flat angles C4'-P-C4' energy: -51.478
flat angles P-C4'-P energy: -38.210
tors. eta vs tors. theta energy: -60.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -719.918523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.918523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.918523 (E_RNA)
where:
Base-Base interactions energy: -501.580
where: short stacking energy: -205.191
Base-Backbone interact. energy: -4.507
local terms energy: -213.831210
where:
bonds (distance) C4'-P energy: -47.603
bonds (distance) P-C4' energy: -45.423
flat angles C4'-P-C4' energy: -45.865
flat angles P-C4'-P energy: -24.992
tors. eta vs tors. theta energy: -49.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -707.954229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.954229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.954229 (E_RNA)
where:
Base-Base interactions energy: -477.624
where: short stacking energy: -224.160
Base-Backbone interact. energy: -1.171
local terms energy: -229.159642
where:
bonds (distance) C4'-P energy: -43.844
bonds (distance) P-C4' energy: -48.073
flat angles C4'-P-C4' energy: -51.995
flat angles P-C4'-P energy: -24.178
tors. eta vs tors. theta energy: -61.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -640.738945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.738945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.738945 (E_RNA)
where:
Base-Base interactions energy: -442.221
where: short stacking energy: -187.706
Base-Backbone interact. energy: -1.154
local terms energy: -197.364173
where:
bonds (distance) C4'-P energy: -33.460
bonds (distance) P-C4' energy: -41.942
flat angles C4'-P-C4' energy: -48.692
flat angles P-C4'-P energy: -27.503
tors. eta vs tors. theta energy: -45.766
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: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -685.632769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.632769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.632769 (E_RNA)
where:
Base-Base interactions energy: -462.821
where: short stacking energy: -185.705
Base-Backbone interact. energy: -0.064
local terms energy: -222.747978
where:
bonds (distance) C4'-P energy: -43.182
bonds (distance) P-C4' energy: -41.195
flat angles C4'-P-C4' energy: -51.163
flat angles P-C4'-P energy: -34.104
tors. eta vs tors. theta energy: -53.102
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: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -507.080839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.080839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.080839 (E_RNA)
where:
Base-Base interactions energy: -329.536
where: short stacking energy: -158.961
Base-Backbone interact. energy: -2.734
local terms energy: -174.810697
where:
bonds (distance) C4'-P energy: -36.982
bonds (distance) P-C4' energy: -43.769
flat angles C4'-P-C4' energy: -34.797
flat angles P-C4'-P energy: -30.820
tors. eta vs tors. theta energy: -28.443
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: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -368.313632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.313632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.313632 (E_RNA)
where:
Base-Base interactions energy: -208.393
where: short stacking energy: -117.173
Base-Backbone interact. energy: -1.283
local terms energy: -158.637872
where:
bonds (distance) C4'-P energy: -32.444
bonds (distance) P-C4' energy: -48.877
flat angles C4'-P-C4' energy: -28.456
flat angles P-C4'-P energy: -33.602
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -224.155486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.155486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.155486 (E_RNA)
where:
Base-Base interactions energy: -91.151
where: short stacking energy: -68.749
Base-Backbone interact. energy: -2.510
local terms energy: -130.494591
where:
bonds (distance) C4'-P energy: -32.956
bonds (distance) P-C4' energy: -36.903
flat angles C4'-P-C4' energy: -38.357
flat angles P-C4'-P energy: -26.308
tors. eta vs tors. theta energy: 4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -841.829224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.829224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.829224 (E_RNA)
where:
Base-Base interactions energy: -587.228
where: short stacking energy: -256.492
Base-Backbone interact. energy: -0.620
local terms energy: -253.981740
where:
bonds (distance) C4'-P energy: -40.128
bonds (distance) P-C4' energy: -45.634
flat angles C4'-P-C4' energy: -57.116
flat angles P-C4'-P energy: -36.221
tors. eta vs tors. theta energy: -74.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -788.352681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.352681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.352681 (E_RNA)
where:
Base-Base interactions energy: -551.210
where: short stacking energy: -229.249
Base-Backbone interact. energy: 0.243
local terms energy: -237.385566
where:
bonds (distance) C4'-P energy: -47.423
bonds (distance) P-C4' energy: -52.613
flat angles C4'-P-C4' energy: -51.336
flat angles P-C4'-P energy: -27.971
tors. eta vs tors. theta energy: -58.042
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: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -760.370460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.370460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.370460 (E_RNA)
where:
Base-Base interactions energy: -522.851
where: short stacking energy: -221.711
Base-Backbone interact. energy: -1.770
local terms energy: -235.749012
where:
bonds (distance) C4'-P energy: -40.582
bonds (distance) P-C4' energy: -46.053
flat angles C4'-P-C4' energy: -51.189
flat angles P-C4'-P energy: -33.793
tors. eta vs tors. theta energy: -64.131
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: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -736.588967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.588967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.588967 (E_RNA)
where:
Base-Base interactions energy: -514.095
where: short stacking energy: -196.894
Base-Backbone interact. energy: -2.642
local terms energy: -219.851943
where:
bonds (distance) C4'-P energy: -43.676
bonds (distance) P-C4' energy: -41.911
flat angles C4'-P-C4' energy: -50.647
flat angles P-C4'-P energy: -25.311
tors. eta vs tors. theta energy: -58.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -694.399483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.399483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.399483 (E_RNA)
where:
Base-Base interactions energy: -465.153
where: short stacking energy: -203.801
Base-Backbone interact. energy: -0.422
local terms energy: -228.824457
where:
bonds (distance) C4'-P energy: -39.251
bonds (distance) P-C4' energy: -46.416
flat angles C4'-P-C4' energy: -54.790
flat angles P-C4'-P energy: -27.289
tors. eta vs tors. theta energy: -61.078
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: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -712.830535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.830535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.830535 (E_RNA)
where:
Base-Base interactions energy: -481.430
where: short stacking energy: -207.495
Base-Backbone interact. energy: 0.883
local terms energy: -232.284297
where:
bonds (distance) C4'-P energy: -48.603
bonds (distance) P-C4' energy: -37.046
flat angles C4'-P-C4' energy: -46.492
flat angles P-C4'-P energy: -38.371
tors. eta vs tors. theta energy: -61.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -581.769135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.769135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.769135 (E_RNA)
where:
Base-Base interactions energy: -392.113
where: short stacking energy: -168.920
Base-Backbone interact. energy: -0.434
local terms energy: -189.222077
where:
bonds (distance) C4'-P energy: -34.126
bonds (distance) P-C4' energy: -39.428
flat angles C4'-P-C4' energy: -44.647
flat angles P-C4'-P energy: -33.003
tors. eta vs tors. theta energy: -38.019
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: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -533.201068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.201068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.201068 (E_RNA)
where:
Base-Base interactions energy: -348.047
where: short stacking energy: -143.037
Base-Backbone interact. energy: -0.375
local terms energy: -184.779204
where:
bonds (distance) C4'-P energy: -36.556
bonds (distance) P-C4' energy: -48.340
flat angles C4'-P-C4' energy: -45.861
flat angles P-C4'-P energy: -30.582
tors. eta vs tors. theta energy: -23.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -389.903398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.903398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.903398 (E_RNA)
where:
Base-Base interactions energy: -223.262
where: short stacking energy: -116.142
Base-Backbone interact. energy: -0.600
local terms energy: -166.040599
where:
bonds (distance) C4'-P energy: -36.013
bonds (distance) P-C4' energy: -42.952
flat angles C4'-P-C4' energy: -42.903
flat angles P-C4'-P energy: -22.343
tors. eta vs tors. theta energy: -21.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -242.713636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.713636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.713636 (E_RNA)
where:
Base-Base interactions energy: -103.743
where: short stacking energy: -57.515
Base-Backbone interact. energy: 1.904
local terms energy: -140.874508
where:
bonds (distance) C4'-P energy: -41.668
bonds (distance) P-C4' energy: -38.551
flat angles C4'-P-C4' energy: -29.613
flat angles P-C4'-P energy: -23.504
tors. eta vs tors. theta energy: -7.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -844.924682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.924682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.924682 (E_RNA)
where:
Base-Base interactions energy: -600.196
where: short stacking energy: -264.897
Base-Backbone interact. energy: -1.429
local terms energy: -243.299819
where:
bonds (distance) C4'-P energy: -48.995
bonds (distance) P-C4' energy: -37.151
flat angles C4'-P-C4' energy: -48.828
flat angles P-C4'-P energy: -35.320
tors. eta vs tors. theta energy: -73.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -816.283340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.283340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.283340 (E_RNA)
where:
Base-Base interactions energy: -566.579
where: short stacking energy: -230.822
Base-Backbone interact. energy: -1.566
local terms energy: -248.137852
where:
bonds (distance) C4'-P energy: -52.622
bonds (distance) P-C4' energy: -46.552
flat angles C4'-P-C4' energy: -55.271
flat angles P-C4'-P energy: -36.401
tors. eta vs tors. theta energy: -57.292
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: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -769.368583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.368583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.368583 (E_RNA)
where:
Base-Base interactions energy: -535.832
where: short stacking energy: -222.506
Base-Backbone interact. energy: -0.905
local terms energy: -232.631707
where:
bonds (distance) C4'-P energy: -45.380
bonds (distance) P-C4' energy: -54.727
flat angles C4'-P-C4' energy: -47.011
flat angles P-C4'-P energy: -24.585
tors. eta vs tors. theta energy: -60.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -755.727171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.727171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.727171 (E_RNA)
where:
Base-Base interactions energy: -526.380
where: short stacking energy: -217.734
Base-Backbone interact. energy: -1.869
local terms energy: -227.478679
where:
bonds (distance) C4'-P energy: -30.056
bonds (distance) P-C4' energy: -51.108
flat angles C4'-P-C4' energy: -47.309
flat angles P-C4'-P energy: -32.285
tors. eta vs tors. theta energy: -66.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -717.131412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.131412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.131412 (E_RNA)
where:
Base-Base interactions energy: -490.616
where: short stacking energy: -197.307
Base-Backbone interact. energy: -0.788
local terms energy: -225.727419
where:
bonds (distance) C4'-P energy: -41.220
bonds (distance) P-C4' energy: -44.744
flat angles C4'-P-C4' energy: -46.824
flat angles P-C4'-P energy: -38.286
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: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -671.098204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.098204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.098204 (E_RNA)
where:
Base-Base interactions energy: -454.382
where: short stacking energy: -183.889
Base-Backbone interact. energy: 0.098
local terms energy: -216.814402
where:
bonds (distance) C4'-P energy: -41.597
bonds (distance) P-C4' energy: -46.135
flat angles C4'-P-C4' energy: -54.351
flat angles P-C4'-P energy: -28.061
tors. eta vs tors. theta energy: -46.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -608.842312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.842312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.842312 (E_RNA)
where:
Base-Base interactions energy: -408.460
where: short stacking energy: -183.939
Base-Backbone interact. energy: -0.964
local terms energy: -199.418281
where:
bonds (distance) C4'-P energy: -36.506
bonds (distance) P-C4' energy: -45.241
flat angles C4'-P-C4' energy: -48.038
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -45.242
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: 76
Temperature: 1.250000
Total energy: -523.869272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.869272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.869272 (E_RNA)
where:
Base-Base interactions energy: -347.420
where: short stacking energy: -151.840
Base-Backbone interact. energy: 0.002
local terms energy: -176.450681
where:
bonds (distance) C4'-P energy: -35.892
bonds (distance) P-C4' energy: -32.982
flat angles C4'-P-C4' energy: -44.006
flat angles P-C4'-P energy: -30.418
tors. eta vs tors. theta energy: -33.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -377.164376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.164376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.164376 (E_RNA)
where:
Base-Base interactions energy: -221.987
where: short stacking energy: -122.143
Base-Backbone interact. energy: -0.988
local terms energy: -154.189725
where:
bonds (distance) C4'-P energy: -38.268
bonds (distance) P-C4' energy: -30.492
flat angles C4'-P-C4' energy: -34.294
flat angles P-C4'-P energy: -20.829
tors. eta vs tors. theta energy: -30.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -244.862254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.862254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.862254 (E_RNA)
where:
Base-Base interactions energy: -117.064
where: short stacking energy: -85.673
Base-Backbone interact. energy: 0.020
local terms energy: -127.818574
where:
bonds (distance) C4'-P energy: -32.768
bonds (distance) P-C4' energy: -43.582
flat angles C4'-P-C4' energy: -35.454
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: 0.465
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: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -848.821658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.821658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.821658 (E_RNA)
where:
Base-Base interactions energy: -601.328
where: short stacking energy: -258.470
Base-Backbone interact. energy: 1.029
local terms energy: -248.523335
where:
bonds (distance) C4'-P energy: -43.898
bonds (distance) P-C4' energy: -43.384
flat angles C4'-P-C4' energy: -52.446
flat angles P-C4'-P energy: -34.487
tors. eta vs tors. theta energy: -74.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -774.486281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.486281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.486281 (E_RNA)
where:
Base-Base interactions energy: -533.154
where: short stacking energy: -226.911
Base-Backbone interact. energy: 0.965
local terms energy: -242.297249
where:
bonds (distance) C4'-P energy: -40.633
bonds (distance) P-C4' energy: -58.257
flat angles C4'-P-C4' energy: -46.958
flat angles P-C4'-P energy: -34.886
tors. eta vs tors. theta energy: -61.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -774.134134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.134134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.134134 (E_RNA)
where:
Base-Base interactions energy: -548.480
where: short stacking energy: -231.050
Base-Backbone interact. energy: -0.353
local terms energy: -225.301285
where:
bonds (distance) C4'-P energy: -37.125
bonds (distance) P-C4' energy: -43.822
flat angles C4'-P-C4' energy: -48.567
flat angles P-C4'-P energy: -32.980
tors. eta vs tors. theta energy: -62.808
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: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -734.380037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.380037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.380037 (E_RNA)
where:
Base-Base interactions energy: -492.995
where: short stacking energy: -212.754
Base-Backbone interact. energy: -0.401
local terms energy: -240.984327
where:
bonds (distance) C4'-P energy: -44.930
bonds (distance) P-C4' energy: -44.750
flat angles C4'-P-C4' energy: -53.327
flat angles P-C4'-P energy: -36.728
tors. eta vs tors. theta energy: -61.249
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: 8
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -733.815762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.815762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.815762 (E_RNA)
where:
Base-Base interactions energy: -501.599
where: short stacking energy: -213.002
Base-Backbone interact. energy: 0.912
local terms energy: -233.128859
where:
bonds (distance) C4'-P energy: -39.216
bonds (distance) P-C4' energy: -45.286
flat angles C4'-P-C4' energy: -52.967
flat angles P-C4'-P energy: -33.230
tors. eta vs tors. theta energy: -62.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -658.294924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.294924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.294924 (E_RNA)
where:
Base-Base interactions energy: -451.189
where: short stacking energy: -193.359
Base-Backbone interact. energy: -1.532
local terms energy: -205.573721
where:
bonds (distance) C4'-P energy: -35.226
bonds (distance) P-C4' energy: -46.640
flat angles C4'-P-C4' energy: -41.030
flat angles P-C4'-P energy: -36.135
tors. eta vs tors. theta energy: -46.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -598.097244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.097244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.097244 (E_RNA)
where:
Base-Base interactions energy: -385.986
where: short stacking energy: -163.601
Base-Backbone interact. energy: -0.626
local terms energy: -211.484486
where:
bonds (distance) C4'-P energy: -41.053
bonds (distance) P-C4' energy: -46.740
flat angles C4'-P-C4' energy: -43.607
flat angles P-C4'-P energy: -28.991
tors. eta vs tors. theta energy: -51.093
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: 77
Temperature: 1.250000
Total energy: -511.331131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.331131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.331131 (E_RNA)
where:
Base-Base interactions energy: -327.083
where: short stacking energy: -147.339
Base-Backbone interact. energy: -0.455
local terms energy: -183.792248
where:
bonds (distance) C4'-P energy: -34.421
bonds (distance) P-C4' energy: -43.384
flat angles C4'-P-C4' energy: -44.784
flat angles P-C4'-P energy: -32.600
tors. eta vs tors. theta energy: -28.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -349.862824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.862824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.862824 (E_RNA)
where:
Base-Base interactions energy: -217.846
where: short stacking energy: -116.554
Base-Backbone interact. energy: 0.823
local terms energy: -132.839187
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -32.756
flat angles C4'-P-C4' energy: -42.202
flat angles P-C4'-P energy: -20.938
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -249.328128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.328128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.328128 (E_RNA)
where:
Base-Base interactions energy: -90.156
where: short stacking energy: -72.365
Base-Backbone interact. energy: -2.238
local terms energy: -156.933710
where:
bonds (distance) C4'-P energy: -34.073
bonds (distance) P-C4' energy: -52.679
flat angles C4'-P-C4' energy: -38.108
flat angles P-C4'-P energy: -20.943
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -865.686907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.686907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.686907 (E_RNA)
where:
Base-Base interactions energy: -596.567
where: short stacking energy: -257.320
Base-Backbone interact. energy: -0.428
local terms energy: -268.691946
where:
bonds (distance) C4'-P energy: -46.433
bonds (distance) P-C4' energy: -48.156
flat angles C4'-P-C4' energy: -54.745
flat angles P-C4'-P energy: -37.664
tors. eta vs tors. theta energy: -81.695
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: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -785.196361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.196361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.196361 (E_RNA)
where:
Base-Base interactions energy: -539.781
where: short stacking energy: -233.418
Base-Backbone interact. energy: -3.352
local terms energy: -242.064254
where:
bonds (distance) C4'-P energy: -44.198
bonds (distance) P-C4' energy: -48.497
flat angles C4'-P-C4' energy: -52.274
flat angles P-C4'-P energy: -35.705
tors. eta vs tors. theta energy: -61.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -759.389065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.389065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.389065 (E_RNA)
where:
Base-Base interactions energy: -526.618
where: short stacking energy: -210.113
Base-Backbone interact. energy: -0.135
local terms energy: -232.636677
where:
bonds (distance) C4'-P energy: -48.648
bonds (distance) P-C4' energy: -43.843
flat angles C4'-P-C4' energy: -52.402
flat angles P-C4'-P energy: -28.373
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: 4, replica: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -734.476457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.476457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.476457 (E_RNA)
where:
Base-Base interactions energy: -513.069
where: short stacking energy: -214.368
Base-Backbone interact. energy: -0.780
local terms energy: -220.627140
where:
bonds (distance) C4'-P energy: -42.683
bonds (distance) P-C4' energy: -43.224
flat angles C4'-P-C4' energy: -44.570
flat angles P-C4'-P energy: -31.729
tors. eta vs tors. theta energy: -58.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -728.299493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.299493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.299493 (E_RNA)
where:
Base-Base interactions energy: -517.197
where: short stacking energy: -218.385
Base-Backbone interact. energy: -1.399
local terms energy: -209.703821
where:
bonds (distance) C4'-P energy: -41.340
bonds (distance) P-C4' energy: -32.909
flat angles C4'-P-C4' energy: -45.835
flat angles P-C4'-P energy: -33.269
tors. eta vs tors. theta energy: -56.351
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: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -621.833646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.833646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.833646 (E_RNA)
where:
Base-Base interactions energy: -422.173
where: short stacking energy: -172.340
Base-Backbone interact. energy: -0.995
local terms energy: -198.665346
where:
bonds (distance) C4'-P energy: -33.549
bonds (distance) P-C4' energy: -43.453
flat angles C4'-P-C4' energy: -44.492
flat angles P-C4'-P energy: -34.068
tors. eta vs tors. theta energy: -43.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -586.144549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.144549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.144549 (E_RNA)
where:
Base-Base interactions energy: -393.366
where: short stacking energy: -165.811
Base-Backbone interact. energy: -1.100
local terms energy: -191.678706
where:
bonds (distance) C4'-P energy: -35.928
bonds (distance) P-C4' energy: -51.746
flat angles C4'-P-C4' energy: -42.297
flat angles P-C4'-P energy: -18.428
tors. eta vs tors. theta energy: -43.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -499.561923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.561923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.561923 (E_RNA)
where:
Base-Base interactions energy: -314.496
where: short stacking energy: -138.438
Base-Backbone interact. energy: -0.371
local terms energy: -184.695138
where:
bonds (distance) C4'-P energy: -44.320
bonds (distance) P-C4' energy: -43.668
flat angles C4'-P-C4' energy: -38.925
flat angles P-C4'-P energy: -27.048
tors. eta vs tors. theta energy: -30.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -362.483142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.483142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.483142 (E_RNA)
where:
Base-Base interactions energy: -192.570
where: short stacking energy: -107.894
Base-Backbone interact. energy: -0.529
local terms energy: -169.384011
where:
bonds (distance) C4'-P energy: -41.968
bonds (distance) P-C4' energy: -36.151
flat angles C4'-P-C4' energy: -38.595
flat angles P-C4'-P energy: -27.573
tors. eta vs tors. theta energy: -25.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -207.345711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.345711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.345711 (E_RNA)
where:
Base-Base interactions energy: -71.942
where: short stacking energy: -59.696
Base-Backbone interact. energy: 0.002
local terms energy: -135.406212
where:
bonds (distance) C4'-P energy: -36.824
bonds (distance) P-C4' energy: -39.499
flat angles C4'-P-C4' energy: -38.251
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -2.535
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: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -867.435218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.435218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.435218 (E_RNA)
where:
Base-Base interactions energy: -604.972
where: short stacking energy: -252.520
Base-Backbone interact. energy: -0.833
local terms energy: -261.630214
where:
bonds (distance) C4'-P energy: -46.866
bonds (distance) P-C4' energy: -46.526
flat angles C4'-P-C4' energy: -50.609
flat angles P-C4'-P energy: -39.096
tors. eta vs tors. theta energy: -78.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -779.710252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.710252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.710252 (E_RNA)
where:
Base-Base interactions energy: -540.138
where: short stacking energy: -251.352
Base-Backbone interact. energy: -0.457
local terms energy: -239.114376
where:
bonds (distance) C4'-P energy: -44.851
bonds (distance) P-C4' energy: -46.953
flat angles C4'-P-C4' energy: -43.155
flat angles P-C4'-P energy: -37.295
tors. eta vs tors. theta energy: -66.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -789.744289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.744289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.744289 (E_RNA)
where:
Base-Base interactions energy: -543.488
where: short stacking energy: -238.103
Base-Backbone interact. energy: -0.504
local terms energy: -245.752999
where:
bonds (distance) C4'-P energy: -49.706
bonds (distance) P-C4' energy: -40.619
flat angles C4'-P-C4' energy: -52.935
flat angles P-C4'-P energy: -34.662
tors. eta vs tors. theta energy: -67.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -744.454700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.454700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.454700 (E_RNA)
where:
Base-Base interactions energy: -524.749
where: short stacking energy: -221.767
Base-Backbone interact. energy: -1.045
local terms energy: -218.661066
where:
bonds (distance) C4'-P energy: -36.017
bonds (distance) P-C4' energy: -38.457
flat angles C4'-P-C4' energy: -54.882
flat angles P-C4'-P energy: -31.008
tors. eta vs tors. theta energy: -58.297
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: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -734.432855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.432855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.432855 (E_RNA)
where:
Base-Base interactions energy: -501.871
where: short stacking energy: -201.641
Base-Backbone interact. energy: -0.341
local terms energy: -232.221595
where:
bonds (distance) C4'-P energy: -31.955
bonds (distance) P-C4' energy: -53.675
flat angles C4'-P-C4' energy: -45.142
flat angles P-C4'-P energy: -37.451
tors. eta vs tors. theta energy: -63.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -626.875912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.875912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.875912 (E_RNA)
where:
Base-Base interactions energy: -437.520
where: short stacking energy: -172.612
Base-Backbone interact. energy: -0.620
local terms energy: -188.736336
where:
bonds (distance) C4'-P energy: -37.680
bonds (distance) P-C4' energy: -40.694
flat angles C4'-P-C4' energy: -40.159
flat angles P-C4'-P energy: -27.116
tors. eta vs tors. theta energy: -43.087
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: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -631.148335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.148335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.148335 (E_RNA)
where:
Base-Base interactions energy: -413.535
where: short stacking energy: -184.667
Base-Backbone interact. energy: 3.440
local terms energy: -221.053645
where:
bonds (distance) C4'-P energy: -52.329
bonds (distance) P-C4' energy: -43.281
flat angles C4'-P-C4' energy: -46.772
flat angles P-C4'-P energy: -27.457
tors. eta vs tors. theta energy: -51.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -514.060405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.060405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.060405 (E_RNA)
where:
Base-Base interactions energy: -332.686
where: short stacking energy: -145.776
Base-Backbone interact. energy: 0.612
local terms energy: -181.986633
where:
bonds (distance) C4'-P energy: -39.288
bonds (distance) P-C4' energy: -41.212
flat angles C4'-P-C4' energy: -44.099
flat angles P-C4'-P energy: -28.105
tors. eta vs tors. theta energy: -29.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -347.929236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.929236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.929236 (E_RNA)
where:
Base-Base interactions energy: -204.444
where: short stacking energy: -112.030
Base-Backbone interact. energy: -0.664
local terms energy: -142.821625
where:
bonds (distance) C4'-P energy: -42.814
bonds (distance) P-C4' energy: -34.033
flat angles C4'-P-C4' energy: -30.222
flat angles P-C4'-P energy: -19.510
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -211.128487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.128487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.128487 (E_RNA)
where:
Base-Base interactions energy: -71.237
where: short stacking energy: -59.320
Base-Backbone interact. energy: -2.084
local terms energy: -137.807816
where:
bonds (distance) C4'-P energy: -34.845
bonds (distance) P-C4' energy: -37.480
flat angles C4'-P-C4' energy: -43.930
flat angles P-C4'-P energy: -27.344
tors. eta vs tors. theta energy: 5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -863.329299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.329299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.329299 (E_RNA)
where:
Base-Base interactions energy: -596.934
where: short stacking energy: -255.929
Base-Backbone interact. energy: -0.293
local terms energy: -266.103089
where:
bonds (distance) C4'-P energy: -47.364
bonds (distance) P-C4' energy: -52.036
flat angles C4'-P-C4' energy: -50.715
flat angles P-C4'-P energy: -37.306
tors. eta vs tors. theta energy: -78.683
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: 2, replica: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -770.508197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.508197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.508197 (E_RNA)
where:
Base-Base interactions energy: -531.542
where: short stacking energy: -236.918
Base-Backbone interact. energy: -1.089
local terms energy: -237.877834
where:
bonds (distance) C4'-P energy: -43.658
bonds (distance) P-C4' energy: -43.409
flat angles C4'-P-C4' energy: -51.861
flat angles P-C4'-P energy: -31.245
tors. eta vs tors. theta energy: -67.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -772.236734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.236734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.236734 (E_RNA)
where:
Base-Base interactions energy: -533.708
where: short stacking energy: -220.303
Base-Backbone interact. energy: -2.102
local terms energy: -236.426351
where:
bonds (distance) C4'-P energy: -39.308
bonds (distance) P-C4' energy: -50.002
flat angles C4'-P-C4' energy: -47.603
flat angles P-C4'-P energy: -37.120
tors. eta vs tors. theta energy: -62.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -751.819849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.819849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.819849 (E_RNA)
where:
Base-Base interactions energy: -524.412
where: short stacking energy: -220.081
Base-Backbone interact. energy: -1.229
local terms energy: -226.179266
where:
bonds (distance) C4'-P energy: -48.537
bonds (distance) P-C4' energy: -41.931
flat angles C4'-P-C4' energy: -44.662
flat angles P-C4'-P energy: -33.205
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: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -726.214028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.214028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.214028 (E_RNA)
where:
Base-Base interactions energy: -516.804
where: short stacking energy: -206.940
Base-Backbone interact. energy: -0.958
local terms energy: -208.452307
where:
bonds (distance) C4'-P energy: -33.689
bonds (distance) P-C4' energy: -48.714
flat angles C4'-P-C4' energy: -44.012
flat angles P-C4'-P energy: -28.096
tors. eta vs tors. theta energy: -53.941
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: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -650.283343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.283343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.283343 (E_RNA)
where:
Base-Base interactions energy: -446.224
where: short stacking energy: -194.269
Base-Backbone interact. energy: -1.635
local terms energy: -202.424311
where:
bonds (distance) C4'-P energy: -39.763
bonds (distance) P-C4' energy: -37.147
flat angles C4'-P-C4' energy: -46.136
flat angles P-C4'-P energy: -28.431
tors. eta vs tors. theta energy: -50.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -597.556480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.556480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.556480 (E_RNA)
where:
Base-Base interactions energy: -408.452
where: short stacking energy: -190.598
Base-Backbone interact. energy: -0.307
local terms energy: -188.797837
where:
bonds (distance) C4'-P energy: -45.583
bonds (distance) P-C4' energy: -29.981
flat angles C4'-P-C4' energy: -40.153
flat angles P-C4'-P energy: -25.250
tors. eta vs tors. theta energy: -47.831
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: 3
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -536.124977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.124977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.124977 (E_RNA)
where:
Base-Base interactions energy: -342.643
where: short stacking energy: -151.306
Base-Backbone interact. energy: -0.474
local terms energy: -193.008121
where:
bonds (distance) C4'-P energy: -44.635
bonds (distance) P-C4' energy: -44.443
flat angles C4'-P-C4' energy: -53.592
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -27.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -356.966704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.966704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.966704 (E_RNA)
where:
Base-Base interactions energy: -207.059
where: short stacking energy: -109.482
Base-Backbone interact. energy: -1.585
local terms energy: -148.323346
where:
bonds (distance) C4'-P energy: -32.273
bonds (distance) P-C4' energy: -43.047
flat angles C4'-P-C4' energy: -36.519
flat angles P-C4'-P energy: -21.395
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -200.656060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.656060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.656060 (E_RNA)
where:
Base-Base interactions energy: -73.050
where: short stacking energy: -66.884
Base-Backbone interact. energy: -0.562
local terms energy: -127.044079
where:
bonds (distance) C4'-P energy: -41.973
bonds (distance) P-C4' energy: -36.795
flat angles C4'-P-C4' energy: -33.869
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: 1.088
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: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -857.598065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.598065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.598065 (E_RNA)
where:
Base-Base interactions energy: -593.856
where: short stacking energy: -260.369
Base-Backbone interact. energy: -1.351
local terms energy: -262.391338
where:
bonds (distance) C4'-P energy: -46.130
bonds (distance) P-C4' energy: -48.012
flat angles C4'-P-C4' energy: -55.202
flat angles P-C4'-P energy: -33.762
tors. eta vs tors. theta energy: -79.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -800.730826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.730826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.730826 (E_RNA)
where:
Base-Base interactions energy: -557.203
where: short stacking energy: -215.738
Base-Backbone interact. energy: -1.433
local terms energy: -242.094764
where:
bonds (distance) C4'-P energy: -50.864
bonds (distance) P-C4' energy: -49.173
flat angles C4'-P-C4' energy: -51.849
flat angles P-C4'-P energy: -28.282
tors. eta vs tors. theta energy: -61.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -777.399688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.399688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.399688 (E_RNA)
where:
Base-Base interactions energy: -535.667
where: short stacking energy: -226.095
Base-Backbone interact. energy: -1.019
local terms energy: -240.713796
where:
bonds (distance) C4'-P energy: -48.489
bonds (distance) P-C4' energy: -38.326
flat angles C4'-P-C4' energy: -52.504
flat angles P-C4'-P energy: -33.697
tors. eta vs tors. theta energy: -67.698
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: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -746.275601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.275601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.275601 (E_RNA)
where:
Base-Base interactions energy: -529.408
where: short stacking energy: -207.663
Base-Backbone interact. energy: -1.537
local terms energy: -215.330878
where:
bonds (distance) C4'-P energy: -41.958
bonds (distance) P-C4' energy: -31.952
flat angles C4'-P-C4' energy: -50.250
flat angles P-C4'-P energy: -30.647
tors. eta vs tors. theta energy: -60.523
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: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -731.858800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.858800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.858800 (E_RNA)
where:
Base-Base interactions energy: -504.351
where: short stacking energy: -218.386
Base-Backbone interact. energy: -1.119
local terms energy: -226.388666
where:
bonds (distance) C4'-P energy: -41.961
bonds (distance) P-C4' energy: -43.464
flat angles C4'-P-C4' energy: -50.349
flat angles P-C4'-P energy: -30.062
tors. eta vs tors. theta energy: -60.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -654.756039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.756039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.756039 (E_RNA)
where:
Base-Base interactions energy: -454.043
where: short stacking energy: -193.847
Base-Backbone interact. energy: 0.664
local terms energy: -201.377068
where:
bonds (distance) C4'-P energy: -33.103
bonds (distance) P-C4' energy: -43.115
flat angles C4'-P-C4' energy: -45.680
flat angles P-C4'-P energy: -30.422
tors. eta vs tors. theta energy: -49.057
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: 7, replica: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -608.860362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.860362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.860362 (E_RNA)
where:
Base-Base interactions energy: -411.489
where: short stacking energy: -178.301
Base-Backbone interact. energy: -1.220
local terms energy: -196.150974
where:
bonds (distance) C4'-P energy: -29.526
bonds (distance) P-C4' energy: -44.247
flat angles C4'-P-C4' energy: -42.418
flat angles P-C4'-P energy: -26.865
tors. eta vs tors. theta energy: -53.095
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: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -532.982878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.982878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.982878 (E_RNA)
where:
Base-Base interactions energy: -363.056
where: short stacking energy: -157.896
Base-Backbone interact. energy: -0.876
local terms energy: -169.051055
where:
bonds (distance) C4'-P energy: -35.161
bonds (distance) P-C4' energy: -41.862
flat angles C4'-P-C4' energy: -29.746
flat angles P-C4'-P energy: -31.044
tors. eta vs tors. theta energy: -31.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -398.014734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.014734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.014734 (E_RNA)
where:
Base-Base interactions energy: -228.044
where: short stacking energy: -112.081
Base-Backbone interact. energy: -0.969
local terms energy: -169.001641
where:
bonds (distance) C4'-P energy: -37.995
bonds (distance) P-C4' energy: -42.081
flat angles C4'-P-C4' energy: -39.458
flat angles P-C4'-P energy: -30.495
tors. eta vs tors. theta energy: -18.973
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: 4
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -202.995658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.995658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.995658 (E_RNA)
where:
Base-Base interactions energy: -80.092
where: short stacking energy: -65.243
Base-Backbone interact. energy: 2.659
local terms energy: -125.562825
where:
bonds (distance) C4'-P energy: -37.676
bonds (distance) P-C4' energy: -33.287
flat angles C4'-P-C4' energy: -33.604
flat angles P-C4'-P energy: -22.990
tors. eta vs tors. theta energy: 1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -860.515538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.515538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.515538 (E_RNA)
where:
Base-Base interactions energy: -596.571
where: short stacking energy: -254.624
Base-Backbone interact. energy: 0.742
local terms energy: -264.687259
where:
bonds (distance) C4'-P energy: -41.876
bonds (distance) P-C4' energy: -50.442
flat angles C4'-P-C4' energy: -52.245
flat angles P-C4'-P energy: -42.431
tors. eta vs tors. theta energy: -77.694
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: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -788.710538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.710538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.710538 (E_RNA)
where:
Base-Base interactions energy: -561.140
where: short stacking energy: -233.570
Base-Backbone interact. energy: -1.108
local terms energy: -226.462979
where:
bonds (distance) C4'-P energy: -42.553
bonds (distance) P-C4' energy: -39.462
flat angles C4'-P-C4' energy: -49.028
flat angles P-C4'-P energy: -30.199
tors. eta vs tors. theta energy: -65.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -769.022875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.022875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.022875 (E_RNA)
where:
Base-Base interactions energy: -530.176
where: short stacking energy: -213.495
Base-Backbone interact. energy: -0.504
local terms energy: -238.342838
where:
bonds (distance) C4'-P energy: -42.666
bonds (distance) P-C4' energy: -46.775
flat angles C4'-P-C4' energy: -53.032
flat angles P-C4'-P energy: -37.602
tors. eta vs tors. theta energy: -58.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -732.342681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.342681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.342681 (E_RNA)
where:
Base-Base interactions energy: -505.719
where: short stacking energy: -219.300
Base-Backbone interact. energy: -1.267
local terms energy: -225.356462
where:
bonds (distance) C4'-P energy: -41.885
bonds (distance) P-C4' energy: -42.275
flat angles C4'-P-C4' energy: -46.765
flat angles P-C4'-P energy: -31.880
tors. eta vs tors. theta energy: -62.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -754.725319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.725319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.725319 (E_RNA)
where:
Base-Base interactions energy: -522.289
where: short stacking energy: -218.999
Base-Backbone interact. energy: -0.673
local terms energy: -231.763157
where:
bonds (distance) C4'-P energy: -47.330
bonds (distance) P-C4' energy: -46.748
flat angles C4'-P-C4' energy: -46.819
flat angles P-C4'-P energy: -28.605
tors. eta vs tors. theta energy: -62.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -652.511834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.511834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.511834 (E_RNA)
where:
Base-Base interactions energy: -447.615
where: short stacking energy: -184.174
Base-Backbone interact. energy: -1.175
local terms energy: -203.721918
where:
bonds (distance) C4'-P energy: -38.662
bonds (distance) P-C4' energy: -40.370
flat angles C4'-P-C4' energy: -52.806
flat angles P-C4'-P energy: -23.190
tors. eta vs tors. theta energy: -48.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -606.119914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.119914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.119914 (E_RNA)
where:
Base-Base interactions energy: -393.861
where: short stacking energy: -190.507
Base-Backbone interact. energy: -1.098
local terms energy: -211.160793
where:
bonds (distance) C4'-P energy: -40.620
bonds (distance) P-C4' energy: -40.369
flat angles C4'-P-C4' energy: -50.213
flat angles P-C4'-P energy: -26.545
tors. eta vs tors. theta energy: -53.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -515.212167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.212167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.212167 (E_RNA)
where:
Base-Base interactions energy: -330.529
where: short stacking energy: -142.036
Base-Backbone interact. energy: -0.598
local terms energy: -184.085078
where:
bonds (distance) C4'-P energy: -42.458
bonds (distance) P-C4' energy: -46.799
flat angles C4'-P-C4' energy: -40.382
flat angles P-C4'-P energy: -24.791
tors. eta vs tors. theta energy: -29.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -412.124592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.124592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.124592 (E_RNA)
where:
Base-Base interactions energy: -273.644
where: short stacking energy: -120.035
Base-Backbone interact. energy: -0.028
local terms energy: -138.452701
where:
bonds (distance) C4'-P energy: -29.447
bonds (distance) P-C4' energy: -33.904
flat angles C4'-P-C4' energy: -34.451
flat angles P-C4'-P energy: -25.254
tors. eta vs tors. theta energy: -15.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -220.133625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.133625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.133625 (E_RNA)
where:
Base-Base interactions energy: -92.171
where: short stacking energy: -59.547
Base-Backbone interact. energy: -0.019
local terms energy: -127.943778
where:
bonds (distance) C4'-P energy: -44.808
bonds (distance) P-C4' energy: -33.203
flat angles C4'-P-C4' energy: -36.308
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: 7.307
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: 1, replica: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -866.671095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.671095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.671095 (E_RNA)
where:
Base-Base interactions energy: -604.241
where: short stacking energy: -255.127
Base-Backbone interact. energy: -0.618
local terms energy: -261.812290
where:
bonds (distance) C4'-P energy: -48.959
bonds (distance) P-C4' energy: -49.742
flat angles C4'-P-C4' energy: -49.361
flat angles P-C4'-P energy: -35.543
tors. eta vs tors. theta energy: -78.208
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: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -793.858404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.858404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.858404 (E_RNA)
where:
Base-Base interactions energy: -551.189
where: short stacking energy: -219.126
Base-Backbone interact. energy: 0.083
local terms energy: -242.752431
where:
bonds (distance) C4'-P energy: -42.811
bonds (distance) P-C4' energy: -51.505
flat angles C4'-P-C4' energy: -52.096
flat angles P-C4'-P energy: -33.489
tors. eta vs tors. theta energy: -62.852
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: 2
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -775.255707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.255707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.255707 (E_RNA)
where:
Base-Base interactions energy: -538.182
where: short stacking energy: -212.380
Base-Backbone interact. energy: -2.588
local terms energy: -234.485973
where:
bonds (distance) C4'-P energy: -48.394
bonds (distance) P-C4' energy: -42.296
flat angles C4'-P-C4' energy: -54.838
flat angles P-C4'-P energy: -32.859
tors. eta vs tors. theta energy: -56.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -761.772894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.772894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.772894 (E_RNA)
where:
Base-Base interactions energy: -535.808
where: short stacking energy: -207.102
Base-Backbone interact. energy: 0.611
local terms energy: -226.576279
where:
bonds (distance) C4'-P energy: -48.118
bonds (distance) P-C4' energy: -48.906
flat angles C4'-P-C4' energy: -41.501
flat angles P-C4'-P energy: -29.710
tors. eta vs tors. theta energy: -58.342
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: 5, replica: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -715.782595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.782595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.782595 (E_RNA)
where:
Base-Base interactions energy: -497.994
where: short stacking energy: -228.425
Base-Backbone interact. energy: -0.024
local terms energy: -217.764196
where:
bonds (distance) C4'-P energy: -28.548
bonds (distance) P-C4' energy: -48.619
flat angles C4'-P-C4' energy: -49.092
flat angles P-C4'-P energy: -30.695
tors. eta vs tors. theta energy: -60.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -665.914659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.914659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.914659 (E_RNA)
where:
Base-Base interactions energy: -456.668
where: short stacking energy: -189.224
Base-Backbone interact. energy: -0.444
local terms energy: -208.802368
where:
bonds (distance) C4'-P energy: -36.864
bonds (distance) P-C4' energy: -40.117
flat angles C4'-P-C4' energy: -45.903
flat angles P-C4'-P energy: -35.195
tors. eta vs tors. theta energy: -50.724
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: 1
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -603.745189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.745189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.745189 (E_RNA)
where:
Base-Base interactions energy: -414.842
where: short stacking energy: -197.081
Base-Backbone interact. energy: -0.335
local terms energy: -188.568137
where:
bonds (distance) C4'-P energy: -36.705
bonds (distance) P-C4' energy: -35.711
flat angles C4'-P-C4' energy: -46.888
flat angles P-C4'-P energy: -25.451
tors. eta vs tors. theta energy: -43.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -523.578386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.578386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.578386 (E_RNA)
where:
Base-Base interactions energy: -331.227
where: short stacking energy: -145.487
Base-Backbone interact. energy: -1.342
local terms energy: -191.009012
where:
bonds (distance) C4'-P energy: -46.134
bonds (distance) P-C4' energy: -42.244
flat angles C4'-P-C4' energy: -44.830
flat angles P-C4'-P energy: -29.610
tors. eta vs tors. theta energy: -28.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -364.933863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.933863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.933863 (E_RNA)
where:
Base-Base interactions energy: -230.435
where: short stacking energy: -113.912
Base-Backbone interact. energy: -0.396
local terms energy: -134.102551
where:
bonds (distance) C4'-P energy: -26.341
bonds (distance) P-C4' energy: -40.857
flat angles C4'-P-C4' energy: -31.941
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -22.879
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: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -266.273877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.273877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.273877 (E_RNA)
where:
Base-Base interactions energy: -141.192
where: short stacking energy: -66.377
Base-Backbone interact. energy: -0.859
local terms energy: -124.223244
where:
bonds (distance) C4'-P energy: -38.441
bonds (distance) P-C4' energy: -30.119
flat angles C4'-P-C4' energy: -30.991
flat angles P-C4'-P energy: -24.941
tors. eta vs tors. theta energy: 0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -864.451052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.451052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.451052 (E_RNA)
where:
Base-Base interactions energy: -591.407
where: short stacking energy: -253.110
Base-Backbone interact. energy: -0.758
local terms energy: -272.285912
where:
bonds (distance) C4'-P energy: -52.099
bonds (distance) P-C4' energy: -50.901
flat angles C4'-P-C4' energy: -51.705
flat angles P-C4'-P energy: -37.137
tors. eta vs tors. theta energy: -80.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -786.624151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.624151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.624151 (E_RNA)
where:
Base-Base interactions energy: -545.301
where: short stacking energy: -223.053
Base-Backbone interact. energy: -2.493
local terms energy: -238.829714
where:
bonds (distance) C4'-P energy: -41.702
bonds (distance) P-C4' energy: -52.904
flat angles C4'-P-C4' energy: -53.511
flat angles P-C4'-P energy: -34.097
tors. eta vs tors. theta energy: -56.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -787.430656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.430656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.430656 (E_RNA)
where:
Base-Base interactions energy: -567.400
where: short stacking energy: -227.968
Base-Backbone interact. energy: -2.620
local terms energy: -217.410527
where:
bonds (distance) C4'-P energy: -42.648
bonds (distance) P-C4' energy: -36.406
flat angles C4'-P-C4' energy: -50.378
flat angles P-C4'-P energy: -29.667
tors. eta vs tors. theta energy: -58.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -771.790553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.790553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.790553 (E_RNA)
where:
Base-Base interactions energy: -557.889
where: short stacking energy: -230.100
Base-Backbone interact. energy: -0.247
local terms energy: -213.654668
where:
bonds (distance) C4'-P energy: -32.911
bonds (distance) P-C4' energy: -38.562
flat angles C4'-P-C4' energy: -52.519
flat angles P-C4'-P energy: -29.170
tors. eta vs tors. theta energy: -60.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -667.783207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.783207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.783207 (E_RNA)
where:
Base-Base interactions energy: -465.817
where: short stacking energy: -212.946
Base-Backbone interact. energy: -0.467
local terms energy: -201.499737
where:
bonds (distance) C4'-P energy: -39.834
bonds (distance) P-C4' energy: -33.764
flat angles C4'-P-C4' energy: -45.244
flat angles P-C4'-P energy: -26.123
tors. eta vs tors. theta energy: -56.535
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: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -698.398831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.398831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.398831 (E_RNA)
where:
Base-Base interactions energy: -480.278
where: short stacking energy: -195.380
Base-Backbone interact. energy: -0.549
local terms energy: -217.571468
where:
bonds (distance) C4'-P energy: -45.533
bonds (distance) P-C4' energy: -48.193
flat angles C4'-P-C4' energy: -42.586
flat angles P-C4'-P energy: -33.058
tors. eta vs tors. theta energy: -48.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -622.724145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.724145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.724145 (E_RNA)
where:
Base-Base interactions energy: -418.002
where: short stacking energy: -181.294
Base-Backbone interact. energy: 2.296
local terms energy: -207.018160
where:
bonds (distance) C4'-P energy: -37.979
bonds (distance) P-C4' energy: -46.946
flat angles C4'-P-C4' energy: -44.233
flat angles P-C4'-P energy: -28.492
tors. eta vs tors. theta energy: -49.368
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: 3
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -537.292358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.292358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.292358 (E_RNA)
where:
Base-Base interactions energy: -360.919
where: short stacking energy: -159.992
Base-Backbone interact. energy: -2.982
local terms energy: -173.391160
where:
bonds (distance) C4'-P energy: -36.270
bonds (distance) P-C4' energy: -41.934
flat angles C4'-P-C4' energy: -37.864
flat angles P-C4'-P energy: -22.626
tors. eta vs tors. theta energy: -34.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -360.163845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.163845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.163845 (E_RNA)
where:
Base-Base interactions energy: -226.999
where: short stacking energy: -108.525
Base-Backbone interact. energy: -0.024
local terms energy: -133.140897
where:
bonds (distance) C4'-P energy: -26.727
bonds (distance) P-C4' energy: -40.237
flat angles C4'-P-C4' energy: -39.531
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -245.096587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.096587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.096587 (E_RNA)
where:
Base-Base interactions energy: -98.333
where: short stacking energy: -65.724
Base-Backbone interact. energy: -0.448
local terms energy: -146.315607
where:
bonds (distance) C4'-P energy: -48.257
bonds (distance) P-C4' energy: -36.310
flat angles C4'-P-C4' energy: -41.707
flat angles P-C4'-P energy: -18.706
tors. eta vs tors. theta energy: -1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -849.405143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.405143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.405143 (E_RNA)
where:
Base-Base interactions energy: -580.237
where: short stacking energy: -259.605
Base-Backbone interact. energy: -0.285
local terms energy: -268.883431
where:
bonds (distance) C4'-P energy: -50.507
bonds (distance) P-C4' energy: -51.398
flat angles C4'-P-C4' energy: -52.762
flat angles P-C4'-P energy: -37.506
tors. eta vs tors. theta energy: -76.710
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: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -804.069622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.069622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.069622 (E_RNA)
where:
Base-Base interactions energy: -557.864
where: short stacking energy: -220.480
Base-Backbone interact. energy: -2.729
local terms energy: -243.476621
where:
bonds (distance) C4'-P energy: -45.232
bonds (distance) P-C4' energy: -47.945
flat angles C4'-P-C4' energy: -47.962
flat angles P-C4'-P energy: -37.069
tors. eta vs tors. theta energy: -65.268
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: 3, replica: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -769.546150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.546150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.546150 (E_RNA)
where:
Base-Base interactions energy: -522.374
where: short stacking energy: -212.281
Base-Backbone interact. energy: -3.780
local terms energy: -243.392340
where:
bonds (distance) C4'-P energy: -46.117
bonds (distance) P-C4' energy: -45.150
flat angles C4'-P-C4' energy: -52.792
flat angles P-C4'-P energy: -35.064
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: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -765.974350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.974350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.974350 (E_RNA)
where:
Base-Base interactions energy: -531.448
where: short stacking energy: -224.098
Base-Backbone interact. energy: -1.079
local terms energy: -233.447285
where:
bonds (distance) C4'-P energy: -40.819
bonds (distance) P-C4' energy: -45.958
flat angles C4'-P-C4' energy: -52.117
flat angles P-C4'-P energy: -29.796
tors. eta vs tors. theta energy: -64.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -688.027591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.027591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.027591 (E_RNA)
where:
Base-Base interactions energy: -475.856
where: short stacking energy: -189.712
Base-Backbone interact. energy: -1.946
local terms energy: -210.225907
where:
bonds (distance) C4'-P energy: -45.553
bonds (distance) P-C4' energy: -39.319
flat angles C4'-P-C4' energy: -50.517
flat angles P-C4'-P energy: -23.430
tors. eta vs tors. theta energy: -51.407
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: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -690.020121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.020121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.020121 (E_RNA)
where:
Base-Base interactions energy: -481.756
where: short stacking energy: -191.619
Base-Backbone interact. energy: -1.099
local terms energy: -207.164801
where:
bonds (distance) C4'-P energy: -32.149
bonds (distance) P-C4' energy: -52.156
flat angles C4'-P-C4' energy: -40.281
flat angles P-C4'-P energy: -24.560
tors. eta vs tors. theta energy: -58.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -583.919893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.919893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.919893 (E_RNA)
where:
Base-Base interactions energy: -396.288
where: short stacking energy: -188.008
Base-Backbone interact. energy: -1.001
local terms energy: -186.630990
where:
bonds (distance) C4'-P energy: -25.801
bonds (distance) P-C4' energy: -40.963
flat angles C4'-P-C4' energy: -44.028
flat angles P-C4'-P energy: -28.859
tors. eta vs tors. theta energy: -46.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -474.609826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.609826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.609826 (E_RNA)
where:
Base-Base interactions energy: -303.807
where: short stacking energy: -139.542
Base-Backbone interact. energy: 0.208
local terms energy: -171.010724
where:
bonds (distance) C4'-P energy: -34.273
bonds (distance) P-C4' energy: -48.335
flat angles C4'-P-C4' energy: -45.133
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -30.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -382.090652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.090652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.090652 (E_RNA)
where:
Base-Base interactions energy: -238.812
where: short stacking energy: -126.731
Base-Backbone interact. energy: -0.217
local terms energy: -143.062049
where:
bonds (distance) C4'-P energy: -21.726
bonds (distance) P-C4' energy: -43.793
flat angles C4'-P-C4' energy: -40.937
flat angles P-C4'-P energy: -13.140
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: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -229.224710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.224710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.224710 (E_RNA)
where:
Base-Base interactions energy: -117.200
where: short stacking energy: -76.057
Base-Backbone interact. energy: -2.022
local terms energy: -110.002761
where:
bonds (distance) C4'-P energy: -29.259
bonds (distance) P-C4' energy: -37.272
flat angles C4'-P-C4' energy: -26.643
flat angles P-C4'-P energy: -21.408
tors. eta vs tors. theta energy: 4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -878.077452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.077452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.077452 (E_RNA)
where:
Base-Base interactions energy: -610.779
where: short stacking energy: -258.029
Base-Backbone interact. energy: -1.099
local terms energy: -266.199979
where:
bonds (distance) C4'-P energy: -48.063
bonds (distance) P-C4' energy: -49.812
flat angles C4'-P-C4' energy: -50.732
flat angles P-C4'-P energy: -39.816
tors. eta vs tors. theta energy: -77.776
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: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -812.329094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.329094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.329094 (E_RNA)
where:
Base-Base interactions energy: -558.569
where: short stacking energy: -237.342
Base-Backbone interact. energy: -1.145
local terms energy: -252.614906
where:
bonds (distance) C4'-P energy: -44.896
bonds (distance) P-C4' energy: -48.277
flat angles C4'-P-C4' energy: -55.719
flat angles P-C4'-P energy: -35.658
tors. eta vs tors. theta energy: -68.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -761.832637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.832637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.832637 (E_RNA)
where:
Base-Base interactions energy: -530.024
where: short stacking energy: -219.416
Base-Backbone interact. energy: 1.708
local terms energy: -233.516957
where:
bonds (distance) C4'-P energy: -38.744
bonds (distance) P-C4' energy: -50.447
flat angles C4'-P-C4' energy: -50.541
flat angles P-C4'-P energy: -34.486
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: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -760.543448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.543448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.543448 (E_RNA)
where:
Base-Base interactions energy: -538.348
where: short stacking energy: -227.338
Base-Backbone interact. energy: -0.925
local terms energy: -221.270050
where:
bonds (distance) C4'-P energy: -33.511
bonds (distance) P-C4' energy: -40.324
flat angles C4'-P-C4' energy: -48.859
flat angles P-C4'-P energy: -33.603
tors. eta vs tors. theta energy: -64.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -696.330757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.330757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.330757 (E_RNA)
where:
Base-Base interactions energy: -464.138
where: short stacking energy: -202.502
Base-Backbone interact. energy: -0.465
local terms energy: -231.727674
where:
bonds (distance) C4'-P energy: -42.896
bonds (distance) P-C4' energy: -50.221
flat angles C4'-P-C4' energy: -50.841
flat angles P-C4'-P energy: -38.529
tors. eta vs tors. theta energy: -49.240
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: 86
Temperature: 1.150000
Total energy: -679.016425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.016425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.016425 (E_RNA)
where:
Base-Base interactions energy: -454.667
where: short stacking energy: -201.670
Base-Backbone interact. energy: 2.091
local terms energy: -226.440572
where:
bonds (distance) C4'-P energy: -44.315
bonds (distance) P-C4' energy: -41.834
flat angles C4'-P-C4' energy: -47.462
flat angles P-C4'-P energy: -36.187
tors. eta vs tors. theta energy: -56.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -557.940963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.940963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.940963 (E_RNA)
where:
Base-Base interactions energy: -376.149
where: short stacking energy: -155.115
Base-Backbone interact. energy: -1.519
local terms energy: -180.272817
where:
bonds (distance) C4'-P energy: -43.696
bonds (distance) P-C4' energy: -44.381
flat angles C4'-P-C4' energy: -48.897
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -30.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -445.959759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.959759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.959759 (E_RNA)
where:
Base-Base interactions energy: -262.146
where: short stacking energy: -116.077
Base-Backbone interact. energy: -2.545
local terms energy: -181.269144
where:
bonds (distance) C4'-P energy: -38.519
bonds (distance) P-C4' energy: -47.006
flat angles C4'-P-C4' energy: -43.740
flat angles P-C4'-P energy: -25.099
tors. eta vs tors. theta energy: -26.905
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: 9, replica: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -381.125099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.125099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.125099 (E_RNA)
where:
Base-Base interactions energy: -223.515
where: short stacking energy: -126.505
Base-Backbone interact. energy: -0.240
local terms energy: -157.369677
where:
bonds (distance) C4'-P energy: -41.344
bonds (distance) P-C4' energy: -44.150
flat angles C4'-P-C4' energy: -26.352
flat angles P-C4'-P energy: -25.679
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: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -222.176181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.176181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.176181 (E_RNA)
where:
Base-Base interactions energy: -86.601
where: short stacking energy: -74.095
Base-Backbone interact. energy: -0.555
local terms energy: -135.020082
where:
bonds (distance) C4'-P energy: -41.168
bonds (distance) P-C4' energy: -32.089
flat angles C4'-P-C4' energy: -29.748
flat angles P-C4'-P energy: -26.309
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -854.114638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.114638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.114638 (E_RNA)
where:
Base-Base interactions energy: -599.216
where: short stacking energy: -250.768
Base-Backbone interact. energy: -0.516
local terms energy: -254.382408
where:
bonds (distance) C4'-P energy: -43.092
bonds (distance) P-C4' energy: -36.231
flat angles C4'-P-C4' energy: -56.609
flat angles P-C4'-P energy: -41.910
tors. eta vs tors. theta energy: -76.540
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: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -813.625302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.625302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.625302 (E_RNA)
where:
Base-Base interactions energy: -565.699
where: short stacking energy: -236.927
Base-Backbone interact. energy: -0.591
local terms energy: -247.335588
where:
bonds (distance) C4'-P energy: -40.177
bonds (distance) P-C4' energy: -53.670
flat angles C4'-P-C4' energy: -50.521
flat angles P-C4'-P energy: -38.636
tors. eta vs tors. theta energy: -64.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -760.595526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.595526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.595526 (E_RNA)
where:
Base-Base interactions energy: -535.964
where: short stacking energy: -223.203
Base-Backbone interact. energy: -1.392
local terms energy: -223.239310
where:
bonds (distance) C4'-P energy: -37.200
bonds (distance) P-C4' energy: -44.725
flat angles C4'-P-C4' energy: -53.289
flat angles P-C4'-P energy: -32.400
tors. eta vs tors. theta energy: -55.625
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: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -697.178433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.178433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.178433 (E_RNA)
where:
Base-Base interactions energy: -479.953
where: short stacking energy: -207.023
Base-Backbone interact. energy: 0.927
local terms energy: -218.152395
where:
bonds (distance) C4'-P energy: -37.793
bonds (distance) P-C4' energy: -49.491
flat angles C4'-P-C4' energy: -39.872
flat angles P-C4'-P energy: -30.972
tors. eta vs tors. theta energy: -60.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -759.106614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.106614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.106614 (E_RNA)
where:
Base-Base interactions energy: -542.814
where: short stacking energy: -217.655
Base-Backbone interact. energy: -0.990
local terms energy: -215.302656
where:
bonds (distance) C4'-P energy: -45.406
bonds (distance) P-C4' energy: -42.167
flat angles C4'-P-C4' energy: -40.803
flat angles P-C4'-P energy: -26.781
tors. eta vs tors. theta energy: -60.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -645.477496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.477496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.477496 (E_RNA)
where:
Base-Base interactions energy: -464.668
where: short stacking energy: -186.372
Base-Backbone interact. energy: -1.042
local terms energy: -179.767541
where:
bonds (distance) C4'-P energy: -44.421
bonds (distance) P-C4' energy: -33.669
flat angles C4'-P-C4' energy: -33.393
flat angles P-C4'-P energy: -28.247
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: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -571.894802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.894802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.894802 (E_RNA)
where:
Base-Base interactions energy: -378.547
where: short stacking energy: -173.138
Base-Backbone interact. energy: -0.579
local terms energy: -192.768949
where:
bonds (distance) C4'-P energy: -36.892
bonds (distance) P-C4' energy: -39.069
flat angles C4'-P-C4' energy: -46.420
flat angles P-C4'-P energy: -31.027
tors. eta vs tors. theta energy: -39.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -427.889800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.889800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.889800 (E_RNA)
where:
Base-Base interactions energy: -253.177
where: short stacking energy: -134.366
Base-Backbone interact. energy: 0.405
local terms energy: -175.117758
where:
bonds (distance) C4'-P energy: -30.276
bonds (distance) P-C4' energy: -45.298
flat angles C4'-P-C4' energy: -42.282
flat angles P-C4'-P energy: -24.626
tors. eta vs tors. theta energy: -32.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -430.877305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.877305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.877305 (E_RNA)
where:
Base-Base interactions energy: -266.368
where: short stacking energy: -119.974
Base-Backbone interact. energy: -0.521
local terms energy: -163.987843
where:
bonds (distance) C4'-P energy: -39.302
bonds (distance) P-C4' energy: -46.657
flat angles C4'-P-C4' energy: -42.873
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -20.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -239.595424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.595424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.595424 (E_RNA)
where:
Base-Base interactions energy: -94.538
where: short stacking energy: -77.354
Base-Backbone interact. energy: -1.377
local terms energy: -143.680388
where:
bonds (distance) C4'-P energy: -40.522
bonds (distance) P-C4' energy: -38.165
flat angles C4'-P-C4' energy: -37.592
flat angles P-C4'-P energy: -27.288
tors. eta vs tors. theta energy: -0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -854.934396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.934396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.934396 (E_RNA)
where:
Base-Base interactions energy: -594.208
where: short stacking energy: -254.733
Base-Backbone interact. energy: -0.257
local terms energy: -260.469637
where:
bonds (distance) C4'-P energy: -45.858
bonds (distance) P-C4' energy: -51.569
flat angles C4'-P-C4' energy: -45.443
flat angles P-C4'-P energy: -39.771
tors. eta vs tors. theta energy: -77.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -805.082512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.082512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.082512 (E_RNA)
where:
Base-Base interactions energy: -557.923
where: short stacking energy: -236.032
Base-Backbone interact. energy: -0.204
local terms energy: -246.955616
where:
bonds (distance) C4'-P energy: -46.092
bonds (distance) P-C4' energy: -39.739
flat angles C4'-P-C4' energy: -50.604
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -69.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -778.185665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.185665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.185665 (E_RNA)
where:
Base-Base interactions energy: -531.907
where: short stacking energy: -218.646
Base-Backbone interact. energy: -2.713
local terms energy: -243.565942
where:
bonds (distance) C4'-P energy: -48.597
bonds (distance) P-C4' energy: -44.040
flat angles C4'-P-C4' energy: -54.380
flat angles P-C4'-P energy: -35.485
tors. eta vs tors. theta energy: -61.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -672.423520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.423520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.423520 (E_RNA)
where:
Base-Base interactions energy: -439.443
where: short stacking energy: -203.011
Base-Backbone interact. energy: 1.402
local terms energy: -234.381793
where:
bonds (distance) C4'-P energy: -47.147
bonds (distance) P-C4' energy: -52.612
flat angles C4'-P-C4' energy: -46.272
flat angles P-C4'-P energy: -35.435
tors. eta vs tors. theta energy: -52.916
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: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -753.870308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.870308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.870308 (E_RNA)
where:
Base-Base interactions energy: -532.850
where: short stacking energy: -219.373
Base-Backbone interact. energy: 1.856
local terms energy: -222.876800
where:
bonds (distance) C4'-P energy: -45.804
bonds (distance) P-C4' energy: -42.544
flat angles C4'-P-C4' energy: -45.819
flat angles P-C4'-P energy: -27.623
tors. eta vs tors. theta energy: -61.087
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: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -638.545338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.545338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.545338 (E_RNA)
where:
Base-Base interactions energy: -463.714
where: short stacking energy: -190.307
Base-Backbone interact. energy: 0.643
local terms energy: -175.474424
where:
bonds (distance) C4'-P energy: -35.057
bonds (distance) P-C4' energy: -35.696
flat angles C4'-P-C4' energy: -34.070
flat angles P-C4'-P energy: -30.443
tors. eta vs tors. theta energy: -40.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -619.293314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.293314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.293314 (E_RNA)
where:
Base-Base interactions energy: -420.313
where: short stacking energy: -177.788
Base-Backbone interact. energy: 0.181
local terms energy: -199.160620
where:
bonds (distance) C4'-P energy: -39.734
bonds (distance) P-C4' energy: -28.870
flat angles C4'-P-C4' energy: -43.556
flat angles P-C4'-P energy: -32.289
tors. eta vs tors. theta energy: -54.711
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: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -441.270954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.270954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.270954 (E_RNA)
where:
Base-Base interactions energy: -260.094
where: short stacking energy: -126.909
Base-Backbone interact. energy: -1.921
local terms energy: -179.256805
where:
bonds (distance) C4'-P energy: -44.452
bonds (distance) P-C4' energy: -39.298
flat angles C4'-P-C4' energy: -44.296
flat angles P-C4'-P energy: -31.789
tors. eta vs tors. theta energy: -19.423
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: 9, replica: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -397.865393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.865393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.865393 (E_RNA)
where:
Base-Base interactions energy: -218.230
where: short stacking energy: -105.528
Base-Backbone interact. energy: -1.819
local terms energy: -177.815981
where:
bonds (distance) C4'-P energy: -44.415
bonds (distance) P-C4' energy: -50.994
flat angles C4'-P-C4' energy: -37.259
flat angles P-C4'-P energy: -28.645
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -204.180520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.180520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.180520 (E_RNA)
where:
Base-Base interactions energy: -70.373
where: short stacking energy: -57.958
Base-Backbone interact. energy: -1.700
local terms energy: -132.107368
where:
bonds (distance) C4'-P energy: -41.282
bonds (distance) P-C4' energy: -48.594
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -24.892
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: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -844.602037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.602037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.602037 (E_RNA)
where:
Base-Base interactions energy: -585.876
where: short stacking energy: -253.164
Base-Backbone interact. energy: -1.250
local terms energy: -257.475560
where:
bonds (distance) C4'-P energy: -49.053
bonds (distance) P-C4' energy: -52.072
flat angles C4'-P-C4' energy: -47.482
flat angles P-C4'-P energy: -32.093
tors. eta vs tors. theta energy: -76.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -783.018041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.018041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.018041 (E_RNA)
where:
Base-Base interactions energy: -530.829
where: short stacking energy: -225.306
Base-Backbone interact. energy: -0.778
local terms energy: -251.411363
where:
bonds (distance) C4'-P energy: -49.766
bonds (distance) P-C4' energy: -48.167
flat angles C4'-P-C4' energy: -55.901
flat angles P-C4'-P energy: -37.890
tors. eta vs tors. theta energy: -59.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -809.049339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.049339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.049339 (E_RNA)
where:
Base-Base interactions energy: -571.323
where: short stacking energy: -231.185
Base-Backbone interact. energy: -2.655
local terms energy: -235.071512
where:
bonds (distance) C4'-P energy: -44.792
bonds (distance) P-C4' energy: -44.608
flat angles C4'-P-C4' energy: -45.063
flat angles P-C4'-P energy: -36.591
tors. eta vs tors. theta energy: -64.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -773.643767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.643767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.643767 (E_RNA)
where:
Base-Base interactions energy: -532.928
where: short stacking energy: -220.252
Base-Backbone interact. energy: -2.045
local terms energy: -238.671365
where:
bonds (distance) C4'-P energy: -44.288
bonds (distance) P-C4' energy: -46.104
flat angles C4'-P-C4' energy: -52.711
flat angles P-C4'-P energy: -33.243
tors. eta vs tors. theta energy: -62.326
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: 9
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -693.267914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.267914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.267914 (E_RNA)
where:
Base-Base interactions energy: -481.019
where: short stacking energy: -200.024
Base-Backbone interact. energy: -0.723
local terms energy: -211.524958
where:
bonds (distance) C4'-P energy: -36.288
bonds (distance) P-C4' energy: -41.901
flat angles C4'-P-C4' energy: -45.120
flat angles P-C4'-P energy: -31.658
tors. eta vs tors. theta energy: -56.557
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: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -645.552294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.552294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.552294 (E_RNA)
where:
Base-Base interactions energy: -441.080
where: short stacking energy: -202.391
Base-Backbone interact. energy: -0.430
local terms energy: -204.042089
where:
bonds (distance) C4'-P energy: -32.435
bonds (distance) P-C4' energy: -50.499
flat angles C4'-P-C4' energy: -46.586
flat angles P-C4'-P energy: -21.681
tors. eta vs tors. theta energy: -52.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -589.794364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.794364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.794364 (E_RNA)
where:
Base-Base interactions energy: -400.624
where: short stacking energy: -182.513
Base-Backbone interact. energy: -0.700
local terms energy: -188.469977
where:
bonds (distance) C4'-P energy: -33.520
bonds (distance) P-C4' energy: -44.231
flat angles C4'-P-C4' energy: -47.697
flat angles P-C4'-P energy: -18.320
tors. eta vs tors. theta energy: -44.702
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: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -426.236167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.236167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.236167 (E_RNA)
where:
Base-Base interactions energy: -267.815
where: short stacking energy: -133.537
Base-Backbone interact. energy: 5.254
local terms energy: -163.675402
where:
bonds (distance) C4'-P energy: -42.205
bonds (distance) P-C4' energy: -44.694
flat angles C4'-P-C4' energy: -39.343
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -18.866
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: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -416.063779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.063779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.063779 (E_RNA)
where:
Base-Base interactions energy: -260.329
where: short stacking energy: -132.792
Base-Backbone interact. energy: 2.590
local terms energy: -158.324787
where:
bonds (distance) C4'-P energy: -42.425
bonds (distance) P-C4' energy: -34.983
flat angles C4'-P-C4' energy: -40.633
flat angles P-C4'-P energy: -18.924
tors. eta vs tors. theta energy: -21.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -201.254019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.254019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.254019 (E_RNA)
where:
Base-Base interactions energy: -79.590
where: short stacking energy: -65.998
Base-Backbone interact. energy: 0.116
local terms energy: -121.779809
where:
bonds (distance) C4'-P energy: -29.255
bonds (distance) P-C4' energy: -42.632
flat angles C4'-P-C4' energy: -35.014
flat angles P-C4'-P energy: -17.512
tors. eta vs tors. theta energy: 2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -836.433098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.433098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.433098 (E_RNA)
where:
Base-Base interactions energy: -583.343
where: short stacking energy: -252.204
Base-Backbone interact. energy: 0.163
local terms energy: -253.252571
where:
bonds (distance) C4'-P energy: -44.527
bonds (distance) P-C4' energy: -47.518
flat angles C4'-P-C4' energy: -50.820
flat angles P-C4'-P energy: -31.983
tors. eta vs tors. theta energy: -78.404
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: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -768.309557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.309557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.309557 (E_RNA)
where:
Base-Base interactions energy: -525.398
where: short stacking energy: -215.421
Base-Backbone interact. energy: -0.588
local terms energy: -242.324200
where:
bonds (distance) C4'-P energy: -45.124
bonds (distance) P-C4' energy: -55.407
flat angles C4'-P-C4' energy: -54.054
flat angles P-C4'-P energy: -30.107
tors. eta vs tors. theta energy: -57.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -801.836021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.836021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.836021 (E_RNA)
where:
Base-Base interactions energy: -560.007
where: short stacking energy: -225.494
Base-Backbone interact. energy: -1.723
local terms energy: -240.106002
where:
bonds (distance) C4'-P energy: -38.952
bonds (distance) P-C4' energy: -45.163
flat angles C4'-P-C4' energy: -51.647
flat angles P-C4'-P energy: -41.765
tors. eta vs tors. theta energy: -62.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -767.032392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.032392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.032392 (E_RNA)
where:
Base-Base interactions energy: -542.574
where: short stacking energy: -221.531
Base-Backbone interact. energy: -0.317
local terms energy: -224.141350
where:
bonds (distance) C4'-P energy: -46.212
bonds (distance) P-C4' energy: -47.788
flat angles C4'-P-C4' energy: -45.823
flat angles P-C4'-P energy: -26.350
tors. eta vs tors. theta energy: -57.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -700.038987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.038987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.038987 (E_RNA)
where:
Base-Base interactions energy: -481.224
where: short stacking energy: -204.562
Base-Backbone interact. energy: -1.001
local terms energy: -217.814639
where:
bonds (distance) C4'-P energy: -40.749
bonds (distance) P-C4' energy: -42.964
flat angles C4'-P-C4' energy: -48.212
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -61.984
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: 90
Temperature: 1.150000
Total energy: -652.961198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.961198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.961198 (E_RNA)
where:
Base-Base interactions energy: -438.172
where: short stacking energy: -200.705
Base-Backbone interact. energy: 0.622
local terms energy: -215.411730
where:
bonds (distance) C4'-P energy: -36.931
bonds (distance) P-C4' energy: -43.285
flat angles C4'-P-C4' energy: -53.075
flat angles P-C4'-P energy: -36.678
tors. eta vs tors. theta energy: -45.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -603.109163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.109163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.109163 (E_RNA)
where:
Base-Base interactions energy: -399.673
where: short stacking energy: -177.416
Base-Backbone interact. energy: -1.492
local terms energy: -201.943520
where:
bonds (distance) C4'-P energy: -47.444
bonds (distance) P-C4' energy: -35.041
flat angles C4'-P-C4' energy: -49.162
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: -48.019
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: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -435.417590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.417590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.417590 (E_RNA)
where:
Base-Base interactions energy: -268.911
where: short stacking energy: -115.445
Base-Backbone interact. energy: 0.304
local terms energy: -166.810926
where:
bonds (distance) C4'-P energy: -44.791
bonds (distance) P-C4' energy: -47.979
flat angles C4'-P-C4' energy: -31.011
flat angles P-C4'-P energy: -25.865
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -422.444323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.444323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.444323 (E_RNA)
where:
Base-Base interactions energy: -266.494
where: short stacking energy: -134.417
Base-Backbone interact. energy: -0.578
local terms energy: -155.372527
where:
bonds (distance) C4'-P energy: -35.210
bonds (distance) P-C4' energy: -30.249
flat angles C4'-P-C4' energy: -36.392
flat angles P-C4'-P energy: -25.452
tors. eta vs tors. theta energy: -28.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -204.778129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.778129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.778129 (E_RNA)
where:
Base-Base interactions energy: -71.850
where: short stacking energy: -48.117
Base-Backbone interact. energy: -0.936
local terms energy: -131.992873
where:
bonds (distance) C4'-P energy: -35.801
bonds (distance) P-C4' energy: -40.991
flat angles C4'-P-C4' energy: -43.980
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: 4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -843.653906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.653906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.653906 (E_RNA)
where:
Base-Base interactions energy: -593.134
where: short stacking energy: -268.375
Base-Backbone interact. energy: -0.023
local terms energy: -250.497697
where:
bonds (distance) C4'-P energy: -41.125
bonds (distance) P-C4' energy: -52.197
flat angles C4'-P-C4' energy: -47.263
flat angles P-C4'-P energy: -32.230
tors. eta vs tors. theta energy: -77.684
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: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -775.457793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.457793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.457793 (E_RNA)
where:
Base-Base interactions energy: -541.702
where: short stacking energy: -230.239
Base-Backbone interact. energy: -2.886
local terms energy: -230.869134
where:
bonds (distance) C4'-P energy: -44.400
bonds (distance) P-C4' energy: -44.632
flat angles C4'-P-C4' energy: -45.840
flat angles P-C4'-P energy: -32.758
tors. eta vs tors. theta energy: -63.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -774.917472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.917472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.917472 (E_RNA)
where:
Base-Base interactions energy: -539.715
where: short stacking energy: -219.572
Base-Backbone interact. energy: -2.112
local terms energy: -233.090494
where:
bonds (distance) C4'-P energy: -46.681
bonds (distance) P-C4' energy: -38.093
flat angles C4'-P-C4' energy: -48.849
flat angles P-C4'-P energy: -33.666
tors. eta vs tors. theta energy: -65.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -733.001305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.001305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.001305 (E_RNA)
where:
Base-Base interactions energy: -495.125
where: short stacking energy: -214.652
Base-Backbone interact. energy: -0.679
local terms energy: -237.197159
where:
bonds (distance) C4'-P energy: -47.750
bonds (distance) P-C4' energy: -43.998
flat angles C4'-P-C4' energy: -57.775
flat angles P-C4'-P energy: -27.355
tors. eta vs tors. theta energy: -60.318
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: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -751.305816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.305816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.305816 (E_RNA)
where:
Base-Base interactions energy: -516.382
where: short stacking energy: -228.917
Base-Backbone interact. energy: -0.012
local terms energy: -234.911669
where:
bonds (distance) C4'-P energy: -36.554
bonds (distance) P-C4' energy: -50.928
flat angles C4'-P-C4' energy: -54.300
flat angles P-C4'-P energy: -29.240
tors. eta vs tors. theta energy: -63.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -639.114372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.114372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.114372 (E_RNA)
where:
Base-Base interactions energy: -427.842
where: short stacking energy: -192.485
Base-Backbone interact. energy: 3.258
local terms energy: -214.531169
where:
bonds (distance) C4'-P energy: -43.447
bonds (distance) P-C4' energy: -48.033
flat angles C4'-P-C4' energy: -46.571
flat angles P-C4'-P energy: -31.303
tors. eta vs tors. theta energy: -45.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -578.569176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.569176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.569176 (E_RNA)
where:
Base-Base interactions energy: -385.172
where: short stacking energy: -166.258
Base-Backbone interact. energy: -1.238
local terms energy: -192.159503
where:
bonds (distance) C4'-P energy: -35.289
bonds (distance) P-C4' energy: -39.743
flat angles C4'-P-C4' energy: -38.325
flat angles P-C4'-P energy: -41.858
tors. eta vs tors. theta energy: -36.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -483.956546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.956546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.956546 (E_RNA)
where:
Base-Base interactions energy: -293.486
where: short stacking energy: -137.071
Base-Backbone interact. energy: 1.919
local terms energy: -192.389981
where:
bonds (distance) C4'-P energy: -50.784
bonds (distance) P-C4' energy: -48.190
flat angles C4'-P-C4' energy: -34.348
flat angles P-C4'-P energy: -29.467
tors. eta vs tors. theta energy: -29.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -390.972346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.972346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.972346 (E_RNA)
where:
Base-Base interactions energy: -229.809
where: short stacking energy: -117.723
Base-Backbone interact. energy: -0.537
local terms energy: -160.626264
where:
bonds (distance) C4'-P energy: -35.286
bonds (distance) P-C4' energy: -39.693
flat angles C4'-P-C4' energy: -37.992
flat angles P-C4'-P energy: -31.354
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -203.623844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.623844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.623844 (E_RNA)
where:
Base-Base interactions energy: -85.578
where: short stacking energy: -81.855
Base-Backbone interact. energy: 0.246
local terms energy: -118.291678
where:
bonds (distance) C4'-P energy: -37.247
bonds (distance) P-C4' energy: -42.642
flat angles C4'-P-C4' energy: -29.364
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -842.618327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.618327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.618327 (E_RNA)
where:
Base-Base interactions energy: -585.671
where: short stacking energy: -260.988
Base-Backbone interact. energy: -0.940
local terms energy: -256.007058
where:
bonds (distance) C4'-P energy: -43.134
bonds (distance) P-C4' energy: -38.700
flat angles C4'-P-C4' energy: -54.032
flat angles P-C4'-P energy: -39.007
tors. eta vs tors. theta energy: -81.134
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: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -770.109416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.109416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.109416 (E_RNA)
where:
Base-Base interactions energy: -538.358
where: short stacking energy: -230.003
Base-Backbone interact. energy: -3.681
local terms energy: -228.070298
where:
bonds (distance) C4'-P energy: -34.993
bonds (distance) P-C4' energy: -47.709
flat angles C4'-P-C4' energy: -46.732
flat angles P-C4'-P energy: -36.405
tors. eta vs tors. theta energy: -62.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -790.042680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.042680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.042680 (E_RNA)
where:
Base-Base interactions energy: -538.202
where: short stacking energy: -234.293
Base-Backbone interact. energy: -1.299
local terms energy: -250.540763
where:
bonds (distance) C4'-P energy: -46.557
bonds (distance) P-C4' energy: -43.757
flat angles C4'-P-C4' energy: -57.368
flat angles P-C4'-P energy: -37.621
tors. eta vs tors. theta energy: -65.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -699.155347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.155347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.155347 (E_RNA)
where:
Base-Base interactions energy: -476.650
where: short stacking energy: -213.264
Base-Backbone interact. energy: 2.202
local terms energy: -224.707155
where:
bonds (distance) C4'-P energy: -37.930
bonds (distance) P-C4' energy: -44.993
flat angles C4'-P-C4' energy: -47.647
flat angles P-C4'-P energy: -39.057
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: 5, replica: 8
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -744.321066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.321066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.321066 (E_RNA)
where:
Base-Base interactions energy: -511.493
where: short stacking energy: -207.817
Base-Backbone interact. energy: 0.149
local terms energy: -232.976461
where:
bonds (distance) C4'-P energy: -44.660
bonds (distance) P-C4' energy: -46.122
flat angles C4'-P-C4' energy: -48.828
flat angles P-C4'-P energy: -35.604
tors. eta vs tors. theta energy: -57.763
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: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -637.812409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.812409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.812409 (E_RNA)
where:
Base-Base interactions energy: -437.882
where: short stacking energy: -203.680
Base-Backbone interact. energy: 0.179
local terms energy: -200.109868
where:
bonds (distance) C4'-P energy: -38.134
bonds (distance) P-C4' energy: -45.902
flat angles C4'-P-C4' energy: -41.681
flat angles P-C4'-P energy: -27.554
tors. eta vs tors. theta energy: -46.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -513.304483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.304483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.304483 (E_RNA)
where:
Base-Base interactions energy: -323.871
where: short stacking energy: -147.440
Base-Backbone interact. energy: -1.206
local terms energy: -188.227794
where:
bonds (distance) C4'-P energy: -39.496
bonds (distance) P-C4' energy: -39.500
flat angles C4'-P-C4' energy: -45.746
flat angles P-C4'-P energy: -33.144
tors. eta vs tors. theta energy: -30.342
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: 1
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -536.376850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.376850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.376850 (E_RNA)
where:
Base-Base interactions energy: -339.313
where: short stacking energy: -159.674
Base-Backbone interact. energy: 0.927
local terms energy: -197.991406
where:
bonds (distance) C4'-P energy: -39.643
bonds (distance) P-C4' energy: -39.664
flat angles C4'-P-C4' energy: -45.436
flat angles P-C4'-P energy: -28.009
tors. eta vs tors. theta energy: -45.239
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: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -340.263275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.263275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.263275 (E_RNA)
where:
Base-Base interactions energy: -173.382
where: short stacking energy: -92.077
Base-Backbone interact. energy: 0.672
local terms energy: -167.553435
where:
bonds (distance) C4'-P energy: -42.541
bonds (distance) P-C4' energy: -39.688
flat angles C4'-P-C4' energy: -46.748
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -217.464154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.464154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.464154 (E_RNA)
where:
Base-Base interactions energy: -84.300
where: short stacking energy: -60.107
Base-Backbone interact. energy: 3.465
local terms energy: -136.629212
where:
bonds (distance) C4'-P energy: -35.096
bonds (distance) P-C4' energy: -39.182
flat angles C4'-P-C4' energy: -37.270
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -3.104
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: 5
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -857.042622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.042622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.042622 (E_RNA)
where:
Base-Base interactions energy: -593.698
where: short stacking energy: -258.219
Base-Backbone interact. energy: -0.242
local terms energy: -263.102308
where:
bonds (distance) C4'-P energy: -45.607
bonds (distance) P-C4' energy: -49.175
flat angles C4'-P-C4' energy: -53.797
flat angles P-C4'-P energy: -34.582
tors. eta vs tors. theta energy: -79.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -770.804234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.804234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.804234 (E_RNA)
where:
Base-Base interactions energy: -532.123
where: short stacking energy: -227.195
Base-Backbone interact. energy: 0.239
local terms energy: -238.920164
where:
bonds (distance) C4'-P energy: -44.188
bonds (distance) P-C4' energy: -48.554
flat angles C4'-P-C4' energy: -46.004
flat angles P-C4'-P energy: -41.642
tors. eta vs tors. theta energy: -58.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -775.228398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.228398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.228398 (E_RNA)
where:
Base-Base interactions energy: -528.249
where: short stacking energy: -218.217
Base-Backbone interact. energy: -1.476
local terms energy: -245.503744
where:
bonds (distance) C4'-P energy: -49.324
bonds (distance) P-C4' energy: -48.020
flat angles C4'-P-C4' energy: -52.350
flat angles P-C4'-P energy: -29.754
tors. eta vs tors. theta energy: -66.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -754.083873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.083873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.083873 (E_RNA)
where:
Base-Base interactions energy: -524.700
where: short stacking energy: -207.549
Base-Backbone interact. energy: -1.533
local terms energy: -227.850898
where:
bonds (distance) C4'-P energy: -39.513
bonds (distance) P-C4' energy: -41.144
flat angles C4'-P-C4' energy: -54.390
flat angles P-C4'-P energy: -37.230
tors. eta vs tors. theta energy: -55.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -667.501660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.501660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.501660 (E_RNA)
where:
Base-Base interactions energy: -443.643
where: short stacking energy: -197.249
Base-Backbone interact. energy: -0.593
local terms energy: -223.265645
where:
bonds (distance) C4'-P energy: -50.690
bonds (distance) P-C4' energy: -43.367
flat angles C4'-P-C4' energy: -44.758
flat angles P-C4'-P energy: -32.519
tors. eta vs tors. theta energy: -51.932
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: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -625.045581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.045581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.045581 (E_RNA)
where:
Base-Base interactions energy: -415.097
where: short stacking energy: -201.557
Base-Backbone interact. energy: 0.695
local terms energy: -210.643781
where:
bonds (distance) C4'-P energy: -42.211
bonds (distance) P-C4' energy: -48.100
flat angles C4'-P-C4' energy: -40.382
flat angles P-C4'-P energy: -29.859
tors. eta vs tors. theta energy: -50.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -511.616531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.616531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.616531 (E_RNA)
where:
Base-Base interactions energy: -332.072
where: short stacking energy: -156.368
Base-Backbone interact. energy: -0.756
local terms energy: -178.788844
where:
bonds (distance) C4'-P energy: -35.803
bonds (distance) P-C4' energy: -42.461
flat angles C4'-P-C4' energy: -46.197
flat angles P-C4'-P energy: -23.271
tors. eta vs tors. theta energy: -31.057
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: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -546.834809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.834809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.834809 (E_RNA)
where:
Base-Base interactions energy: -359.615
where: short stacking energy: -142.847
Base-Backbone interact. energy: -0.259
local terms energy: -186.960384
where:
bonds (distance) C4'-P energy: -39.000
bonds (distance) P-C4' energy: -48.738
flat angles C4'-P-C4' energy: -43.159
flat angles P-C4'-P energy: -27.588
tors. eta vs tors. theta energy: -28.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -319.380963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.380963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.380963 (E_RNA)
where:
Base-Base interactions energy: -180.409
where: short stacking energy: -103.722
Base-Backbone interact. energy: -1.876
local terms energy: -137.095086
where:
bonds (distance) C4'-P energy: -39.474
bonds (distance) P-C4' energy: -39.644
flat angles C4'-P-C4' energy: -35.693
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -8.377
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: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -205.186146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.186146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.186146 (E_RNA)
where:
Base-Base interactions energy: -59.033
where: short stacking energy: -57.489
Base-Backbone interact. energy: -1.553
local terms energy: -144.600323
where:
bonds (distance) C4'-P energy: -32.382
bonds (distance) P-C4' energy: -47.465
flat angles C4'-P-C4' energy: -43.120
flat angles P-C4'-P energy: -22.800
tors. eta vs tors. theta energy: 1.166
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: 5
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -847.058698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.058698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.058698 (E_RNA)
where:
Base-Base interactions energy: -581.425
where: short stacking energy: -252.198
Base-Backbone interact. energy: -0.395
local terms energy: -265.238170
where:
bonds (distance) C4'-P energy: -41.218
bonds (distance) P-C4' energy: -44.998
flat angles C4'-P-C4' energy: -53.976
flat angles P-C4'-P energy: -43.838
tors. eta vs tors. theta energy: -81.208
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: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -777.479989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.479989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.479989 (E_RNA)
where:
Base-Base interactions energy: -536.420
where: short stacking energy: -227.868
Base-Backbone interact. energy: -2.758
local terms energy: -238.301915
where:
bonds (distance) C4'-P energy: -44.510
bonds (distance) P-C4' energy: -45.297
flat angles C4'-P-C4' energy: -49.676
flat angles P-C4'-P energy: -40.528
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: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -782.227411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.227411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.227411 (E_RNA)
where:
Base-Base interactions energy: -533.695
where: short stacking energy: -230.679
Base-Backbone interact. energy: -0.613
local terms energy: -247.919370
where:
bonds (distance) C4'-P energy: -41.928
bonds (distance) P-C4' energy: -41.307
flat angles C4'-P-C4' energy: -59.175
flat angles P-C4'-P energy: -38.909
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: 4, replica: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -722.318679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.318679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.318679 (E_RNA)
where:
Base-Base interactions energy: -511.281
where: short stacking energy: -227.166
Base-Backbone interact. energy: 0.441
local terms energy: -211.479129
where:
bonds (distance) C4'-P energy: -35.100
bonds (distance) P-C4' energy: -39.405
flat angles C4'-P-C4' energy: -47.141
flat angles P-C4'-P energy: -28.326
tors. eta vs tors. theta energy: -61.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -653.873499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.873499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.873499 (E_RNA)
where:
Base-Base interactions energy: -440.613
where: short stacking energy: -217.481
Base-Backbone interact. energy: -1.333
local terms energy: -211.927428
where:
bonds (distance) C4'-P energy: -37.309
bonds (distance) P-C4' energy: -44.068
flat angles C4'-P-C4' energy: -44.650
flat angles P-C4'-P energy: -32.038
tors. eta vs tors. theta energy: -53.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -635.923489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.923489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.923489 (E_RNA)
where:
Base-Base interactions energy: -435.779
where: short stacking energy: -194.254
Base-Backbone interact. energy: -0.803
local terms energy: -199.341400
where:
bonds (distance) C4'-P energy: -38.744
bonds (distance) P-C4' energy: -48.830
flat angles C4'-P-C4' energy: -37.895
flat angles P-C4'-P energy: -23.146
tors. eta vs tors. theta energy: -50.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -579.666716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.666716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.666716 (E_RNA)
where:
Base-Base interactions energy: -391.099
where: short stacking energy: -165.599
Base-Backbone interact. energy: 0.309
local terms energy: -188.877319
where:
bonds (distance) C4'-P energy: -43.517
bonds (distance) P-C4' energy: -28.758
flat angles C4'-P-C4' energy: -41.935
flat angles P-C4'-P energy: -28.321
tors. eta vs tors. theta energy: -46.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -492.338966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.338966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.338966 (E_RNA)
where:
Base-Base interactions energy: -317.012
where: short stacking energy: -148.282
Base-Backbone interact. energy: -0.345
local terms energy: -174.981482
where:
bonds (distance) C4'-P energy: -39.247
bonds (distance) P-C4' energy: -38.300
flat angles C4'-P-C4' energy: -41.017
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -34.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -311.443365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.443365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.443365 (E_RNA)
where:
Base-Base interactions energy: -180.494
where: short stacking energy: -103.781
Base-Backbone interact. energy: 0.417
local terms energy: -131.365976
where:
bonds (distance) C4'-P energy: -37.774
bonds (distance) P-C4' energy: -35.486
flat angles C4'-P-C4' energy: -26.087
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -196.856084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.856084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.856084 (E_RNA)
where:
Base-Base interactions energy: -71.479
where: short stacking energy: -67.618
Base-Backbone interact. energy: 1.176
local terms energy: -126.552724
where:
bonds (distance) C4'-P energy: -41.193
bonds (distance) P-C4' energy: -39.107
flat angles C4'-P-C4' energy: -34.216
flat angles P-C4'-P energy: -19.831
tors. eta vs tors. theta energy: 7.795
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: 5
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -849.958722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.958722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.958722 (E_RNA)
where:
Base-Base interactions energy: -589.282
where: short stacking energy: -250.207
Base-Backbone interact. energy: -1.370
local terms energy: -259.305889
where:
bonds (distance) C4'-P energy: -46.833
bonds (distance) P-C4' energy: -37.184
flat angles C4'-P-C4' energy: -57.438
flat angles P-C4'-P energy: -41.484
tors. eta vs tors. theta energy: -76.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -811.247229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.247229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.247229 (E_RNA)
where:
Base-Base interactions energy: -568.993
where: short stacking energy: -229.506
Base-Backbone interact. energy: -1.300
local terms energy: -240.954319
where:
bonds (distance) C4'-P energy: -46.979
bonds (distance) P-C4' energy: -46.628
flat angles C4'-P-C4' energy: -50.362
flat angles P-C4'-P energy: -32.898
tors. eta vs tors. theta energy: -64.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -761.954964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.954964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.954964 (E_RNA)
where:
Base-Base interactions energy: -525.066
where: short stacking energy: -215.308
Base-Backbone interact. energy: -2.108
local terms energy: -234.780332
where:
bonds (distance) C4'-P energy: -42.338
bonds (distance) P-C4' energy: -48.755
flat angles C4'-P-C4' energy: -51.308
flat angles P-C4'-P energy: -34.171
tors. eta vs tors. theta energy: -58.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -739.254845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.254845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.254845 (E_RNA)
where:
Base-Base interactions energy: -509.635
where: short stacking energy: -213.825
Base-Backbone interact. energy: -0.244
local terms energy: -229.375711
where:
bonds (distance) C4'-P energy: -46.682
bonds (distance) P-C4' energy: -36.401
flat angles C4'-P-C4' energy: -51.577
flat angles P-C4'-P energy: -38.827
tors. eta vs tors. theta energy: -55.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -652.449555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.449555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.449555 (E_RNA)
where:
Base-Base interactions energy: -422.725
where: short stacking energy: -186.763
Base-Backbone interact. energy: -0.071
local terms energy: -229.653481
where:
bonds (distance) C4'-P energy: -49.748
bonds (distance) P-C4' energy: -49.762
flat angles C4'-P-C4' energy: -50.451
flat angles P-C4'-P energy: -28.771
tors. eta vs tors. theta energy: -50.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -662.588550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.588550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.588550 (E_RNA)
where:
Base-Base interactions energy: -471.996
where: short stacking energy: -210.265
Base-Backbone interact. energy: 2.904
local terms energy: -193.496191
where:
bonds (distance) C4'-P energy: -38.095
bonds (distance) P-C4' energy: -42.767
flat angles C4'-P-C4' energy: -45.547
flat angles P-C4'-P energy: -23.599
tors. eta vs tors. theta energy: -43.488
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: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -583.280987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.280987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.280987 (E_RNA)
where:
Base-Base interactions energy: -391.808
where: short stacking energy: -167.047
Base-Backbone interact. energy: 2.770
local terms energy: -194.242685
where:
bonds (distance) C4'-P energy: -46.821
bonds (distance) P-C4' energy: -36.996
flat angles C4'-P-C4' energy: -40.018
flat angles P-C4'-P energy: -26.166
tors. eta vs tors. theta energy: -44.242
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: 95
Temperature: 1.250000
Total energy: -487.149828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.149828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.149828 (E_RNA)
where:
Base-Base interactions energy: -322.495
where: short stacking energy: -147.679
Base-Backbone interact. energy: 4.709
local terms energy: -169.363759
where:
bonds (distance) C4'-P energy: -37.193
bonds (distance) P-C4' energy: -45.353
flat angles C4'-P-C4' energy: -33.895
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -34.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -260.899625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.899625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.899625 (E_RNA)
where:
Base-Base interactions energy: -122.604
where: short stacking energy: -87.373
Base-Backbone interact. energy: 0.453
local terms energy: -138.748331
where:
bonds (distance) C4'-P energy: -40.756
bonds (distance) P-C4' energy: -32.402
flat angles C4'-P-C4' energy: -41.612
flat angles P-C4'-P energy: -17.781
tors. eta vs tors. theta energy: -6.198
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: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -215.051403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.051403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.051403 (E_RNA)
where:
Base-Base interactions energy: -82.032
where: short stacking energy: -79.629
Base-Backbone interact. energy: -0.562
local terms energy: -132.456684
where:
bonds (distance) C4'-P energy: -37.571
bonds (distance) P-C4' energy: -42.861
flat angles C4'-P-C4' energy: -34.386
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -1.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -815.313171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.313171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.313171 (E_RNA)
where:
Base-Base interactions energy: -554.265
where: short stacking energy: -234.867
Base-Backbone interact. energy: -0.961
local terms energy: -260.087251
where:
bonds (distance) C4'-P energy: -53.678
bonds (distance) P-C4' energy: -51.986
flat angles C4'-P-C4' energy: -53.794
flat angles P-C4'-P energy: -31.174
tors. eta vs tors. theta energy: -69.456
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: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -829.214341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.214341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.214341 (E_RNA)
where:
Base-Base interactions energy: -571.722
where: short stacking energy: -257.967
Base-Backbone interact. energy: -0.564
local terms energy: -256.928083
where:
bonds (distance) C4'-P energy: -45.099
bonds (distance) P-C4' energy: -50.617
flat angles C4'-P-C4' energy: -50.511
flat angles P-C4'-P energy: -34.280
tors. eta vs tors. theta energy: -76.421
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: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -760.535879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.535879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.535879 (E_RNA)
where:
Base-Base interactions energy: -528.585
where: short stacking energy: -213.630
Base-Backbone interact. energy: -0.792
local terms energy: -231.159299
where:
bonds (distance) C4'-P energy: -44.126
bonds (distance) P-C4' energy: -43.446
flat angles C4'-P-C4' energy: -51.663
flat angles P-C4'-P energy: -28.682
tors. eta vs tors. theta energy: -63.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -753.957237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.957237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.957237 (E_RNA)
where:
Base-Base interactions energy: -525.515
where: short stacking energy: -233.808
Base-Backbone interact. energy: -1.893
local terms energy: -226.549633
where:
bonds (distance) C4'-P energy: -42.549
bonds (distance) P-C4' energy: -37.898
flat angles C4'-P-C4' energy: -51.712
flat angles P-C4'-P energy: -31.283
tors. eta vs tors. theta energy: -63.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -661.999882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.999882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.999882 (E_RNA)
where:
Base-Base interactions energy: -455.466
where: short stacking energy: -191.697
Base-Backbone interact. energy: 1.478
local terms energy: -208.011295
where:
bonds (distance) C4'-P energy: -41.058
bonds (distance) P-C4' energy: -42.258
flat angles C4'-P-C4' energy: -52.890
flat angles P-C4'-P energy: -23.288
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: 6, replica: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -631.484806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.484806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.484806 (E_RNA)
where:
Base-Base interactions energy: -430.254
where: short stacking energy: -187.007
Base-Backbone interact. energy: -0.410
local terms energy: -200.821099
where:
bonds (distance) C4'-P energy: -39.859
bonds (distance) P-C4' energy: -45.715
flat angles C4'-P-C4' energy: -36.245
flat angles P-C4'-P energy: -31.867
tors. eta vs tors. theta energy: -47.134
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: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -578.773900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.773900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.773900 (E_RNA)
where:
Base-Base interactions energy: -381.497
where: short stacking energy: -165.489
Base-Backbone interact. energy: -0.589
local terms energy: -196.688657
where:
bonds (distance) C4'-P energy: -31.264
bonds (distance) P-C4' energy: -40.133
flat angles C4'-P-C4' energy: -43.257
flat angles P-C4'-P energy: -37.342
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: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -464.006251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.006251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.006251 (E_RNA)
where:
Base-Base interactions energy: -283.117
where: short stacking energy: -128.656
Base-Backbone interact. energy: -1.502
local terms energy: -179.386590
where:
bonds (distance) C4'-P energy: -32.654
bonds (distance) P-C4' energy: -50.850
flat angles C4'-P-C4' energy: -46.114
flat angles P-C4'-P energy: -25.283
tors. eta vs tors. theta energy: -24.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -242.260920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.260920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.260920 (E_RNA)
where:
Base-Base interactions energy: -99.046
where: short stacking energy: -66.407
Base-Backbone interact. energy: 1.706
local terms energy: -144.921082
where:
bonds (distance) C4'-P energy: -33.105
bonds (distance) P-C4' energy: -51.557
flat angles C4'-P-C4' energy: -40.119
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -3.475
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: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -212.171718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.171718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.171718 (E_RNA)
where:
Base-Base interactions energy: -83.566
where: short stacking energy: -70.686
Base-Backbone interact. energy: 0.986
local terms energy: -129.592045
where:
bonds (distance) C4'-P energy: -40.092
bonds (distance) P-C4' energy: -40.675
flat angles C4'-P-C4' energy: -32.688
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -0.509
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: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -824.934123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.934123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.934123 (E_RNA)
where:
Base-Base interactions energy: -567.934
where: short stacking energy: -226.772
Base-Backbone interact. energy: -2.546
local terms energy: -254.454112
where:
bonds (distance) C4'-P energy: -45.670
bonds (distance) P-C4' energy: -50.604
flat angles C4'-P-C4' energy: -55.750
flat angles P-C4'-P energy: -36.897
tors. eta vs tors. theta energy: -65.533
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: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -825.896808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.896808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.896808 (E_RNA)
where:
Base-Base interactions energy: -579.953
where: short stacking energy: -256.864
Base-Backbone interact. energy: -0.915
local terms energy: -245.028920
where:
bonds (distance) C4'-P energy: -39.194
bonds (distance) P-C4' energy: -45.690
flat angles C4'-P-C4' energy: -45.171
flat angles P-C4'-P energy: -35.402
tors. eta vs tors. theta energy: -79.572
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: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -770.912938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.912938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.912938 (E_RNA)
where:
Base-Base interactions energy: -547.446
where: short stacking energy: -223.582
Base-Backbone interact. energy: -1.936
local terms energy: -221.530933
where:
bonds (distance) C4'-P energy: -43.264
bonds (distance) P-C4' energy: -44.461
flat angles C4'-P-C4' energy: -42.829
flat angles P-C4'-P energy: -31.735
tors. eta vs tors. theta energy: -59.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -756.443984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.443984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.443984 (E_RNA)
where:
Base-Base interactions energy: -541.143
where: short stacking energy: -219.927
Base-Backbone interact. energy: 1.412
local terms energy: -216.713063
where:
bonds (distance) C4'-P energy: -38.181
bonds (distance) P-C4' energy: -38.243
flat angles C4'-P-C4' energy: -52.186
flat angles P-C4'-P energy: -27.642
tors. eta vs tors. theta energy: -60.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -663.546232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.546232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.546232 (E_RNA)
where:
Base-Base interactions energy: -441.511
where: short stacking energy: -198.452
Base-Backbone interact. energy: 0.498
local terms energy: -222.533263
where:
bonds (distance) C4'-P energy: -42.114
bonds (distance) P-C4' energy: -51.355
flat angles C4'-P-C4' energy: -38.375
flat angles P-C4'-P energy: -34.722
tors. eta vs tors. theta energy: -55.967
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: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -643.637786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.637786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.637786 (E_RNA)
where:
Base-Base interactions energy: -433.282
where: short stacking energy: -194.321
Base-Backbone interact. energy: -0.048
local terms energy: -210.308477
where:
bonds (distance) C4'-P energy: -36.258
bonds (distance) P-C4' energy: -42.346
flat angles C4'-P-C4' energy: -44.962
flat angles P-C4'-P energy: -32.382
tors. eta vs tors. theta energy: -54.360
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: 97
Temperature: 1.200000
Total energy: -589.283948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.283948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.283948 (E_RNA)
where:
Base-Base interactions energy: -396.204
where: short stacking energy: -180.386
Base-Backbone interact. energy: 0.789
local terms energy: -193.869144
where:
bonds (distance) C4'-P energy: -39.978
bonds (distance) P-C4' energy: -41.467
flat angles C4'-P-C4' energy: -44.092
flat angles P-C4'-P energy: -28.130
tors. eta vs tors. theta energy: -40.201
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: 3
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -445.066704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.066704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.066704 (E_RNA)
where:
Base-Base interactions energy: -285.234
where: short stacking energy: -136.678
Base-Backbone interact. energy: -1.620
local terms energy: -158.213001
where:
bonds (distance) C4'-P energy: -42.951
bonds (distance) P-C4' energy: -45.247
flat angles C4'-P-C4' energy: -28.632
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -25.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -218.730608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.730608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.730608 (E_RNA)
where:
Base-Base interactions energy: -90.979
where: short stacking energy: -78.809
Base-Backbone interact. energy: -1.749
local terms energy: -126.002553
where:
bonds (distance) C4'-P energy: -37.133
bonds (distance) P-C4' energy: -36.979
flat angles C4'-P-C4' energy: -35.102
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -239.359009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.359009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.359009 (E_RNA)
where:
Base-Base interactions energy: -96.537
where: short stacking energy: -69.609
Base-Backbone interact. energy: 2.377
local terms energy: -145.199111
where:
bonds (distance) C4'-P energy: -40.344
bonds (distance) P-C4' energy: -41.744
flat angles C4'-P-C4' energy: -36.737
flat angles P-C4'-P energy: -25.260
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -852.293908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.293908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.293908 (E_RNA)
where:
Base-Base interactions energy: -593.885
where: short stacking energy: -249.093
Base-Backbone interact. energy: -1.156
local terms energy: -257.253484
where:
bonds (distance) C4'-P energy: -48.508
bonds (distance) P-C4' energy: -49.186
flat angles C4'-P-C4' energy: -48.608
flat angles P-C4'-P energy: -32.339
tors. eta vs tors. theta energy: -78.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -820.628155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.628155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.628155 (E_RNA)
where:
Base-Base interactions energy: -573.165
where: short stacking energy: -239.947
Base-Backbone interact. energy: -1.493
local terms energy: -245.970574
where:
bonds (distance) C4'-P energy: -51.084
bonds (distance) P-C4' energy: -46.898
flat angles C4'-P-C4' energy: -52.568
flat angles P-C4'-P energy: -32.026
tors. eta vs tors. theta energy: -63.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -778.066926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.066926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.066926 (E_RNA)
where:
Base-Base interactions energy: -540.638
where: short stacking energy: -222.386
Base-Backbone interact. energy: -0.762
local terms energy: -236.667830
where:
bonds (distance) C4'-P energy: -46.425
bonds (distance) P-C4' energy: -45.943
flat angles C4'-P-C4' energy: -46.881
flat angles P-C4'-P energy: -41.846
tors. eta vs tors. theta energy: -55.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -740.086862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.086862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.086862 (E_RNA)
where:
Base-Base interactions energy: -521.890
where: short stacking energy: -221.033
Base-Backbone interact. energy: -2.377
local terms energy: -215.819924
where:
bonds (distance) C4'-P energy: -45.848
bonds (distance) P-C4' energy: -37.003
flat angles C4'-P-C4' energy: -46.844
flat angles P-C4'-P energy: -30.455
tors. eta vs tors. theta energy: -55.670
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: 9
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -672.784152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.784152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.784152 (E_RNA)
where:
Base-Base interactions energy: -462.048
where: short stacking energy: -203.293
Base-Backbone interact. energy: -0.941
local terms energy: -209.795022
where:
bonds (distance) C4'-P energy: -42.875
bonds (distance) P-C4' energy: -37.771
flat angles C4'-P-C4' energy: -47.731
flat angles P-C4'-P energy: -29.850
tors. eta vs tors. theta energy: -51.568
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: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -651.743031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.743031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.743031 (E_RNA)
where:
Base-Base interactions energy: -455.312
where: short stacking energy: -189.066
Base-Backbone interact. energy: -0.362
local terms energy: -196.069879
where:
bonds (distance) C4'-P energy: -35.444
bonds (distance) P-C4' energy: -42.239
flat angles C4'-P-C4' energy: -37.636
flat angles P-C4'-P energy: -26.019
tors. eta vs tors. theta energy: -54.733
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: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -590.455469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.455469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.455469 (E_RNA)
where:
Base-Base interactions energy: -395.079
where: short stacking energy: -179.365
Base-Backbone interact. energy: -0.070
local terms energy: -195.306519
where:
bonds (distance) C4'-P energy: -42.955
bonds (distance) P-C4' energy: -33.551
flat angles C4'-P-C4' energy: -47.172
flat angles P-C4'-P energy: -25.604
tors. eta vs tors. theta energy: -46.025
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: 3
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -489.021530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.021530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.021530 (E_RNA)
where:
Base-Base interactions energy: -318.632
where: short stacking energy: -132.801
Base-Backbone interact. energy: 1.150
local terms energy: -171.538777
where:
bonds (distance) C4'-P energy: -29.381
bonds (distance) P-C4' energy: -46.902
flat angles C4'-P-C4' energy: -43.508
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -34.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -217.372425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.372425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.372425 (E_RNA)
where:
Base-Base interactions energy: -80.226
where: short stacking energy: -71.025
Base-Backbone interact. energy: 0.896
local terms energy: -138.042581
where:
bonds (distance) C4'-P energy: -39.386
bonds (distance) P-C4' energy: -40.840
flat angles C4'-P-C4' energy: -40.537
flat angles P-C4'-P energy: -19.181
tors. eta vs tors. theta energy: 1.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -203.056623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.056623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.056623 (E_RNA)
where:
Base-Base interactions energy: -65.527
where: short stacking energy: -49.119
Base-Backbone interact. energy: -1.141
local terms energy: -136.389076
where:
bonds (distance) C4'-P energy: -40.861
bonds (distance) P-C4' energy: -41.787
flat angles C4'-P-C4' energy: -30.921
flat angles P-C4'-P energy: -25.749
tors. eta vs tors. theta energy: 2.929
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: 5
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -848.396864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.396864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.396864 (E_RNA)
where:
Base-Base interactions energy: -587.949
where: short stacking energy: -251.825
Base-Backbone interact. energy: -0.383
local terms energy: -260.064665
where:
bonds (distance) C4'-P energy: -42.107
bonds (distance) P-C4' energy: -48.655
flat angles C4'-P-C4' energy: -52.232
flat angles P-C4'-P energy: -37.964
tors. eta vs tors. theta energy: -79.107
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: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -800.358340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.358340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.358340 (E_RNA)
where:
Base-Base interactions energy: -563.487
where: short stacking energy: -240.771
Base-Backbone interact. energy: -0.893
local terms energy: -235.979272
where:
bonds (distance) C4'-P energy: -40.919
bonds (distance) P-C4' energy: -52.212
flat angles C4'-P-C4' energy: -48.154
flat angles P-C4'-P energy: -31.608
tors. eta vs tors. theta energy: -63.087
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: 99
Temperature: 1.000000
Total energy: -783.614160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.614160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.614160 (E_RNA)
where:
Base-Base interactions energy: -560.786
where: short stacking energy: -232.444
Base-Backbone interact. energy: -0.925
local terms energy: -221.903322
where:
bonds (distance) C4'-P energy: -38.037
bonds (distance) P-C4' energy: -42.386
flat angles C4'-P-C4' energy: -54.733
flat angles P-C4'-P energy: -30.351
tors. eta vs tors. theta energy: -56.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -725.067687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.067687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.067687 (E_RNA)
where:
Base-Base interactions energy: -489.513
where: short stacking energy: -213.003
Base-Backbone interact. energy: -2.746
local terms energy: -232.809130
where:
bonds (distance) C4'-P energy: -47.612
bonds (distance) P-C4' energy: -43.691
flat angles C4'-P-C4' energy: -53.173
flat angles P-C4'-P energy: -29.416
tors. eta vs tors. theta energy: -58.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -643.017805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.017805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.017805 (E_RNA)
where:
Base-Base interactions energy: -427.144
where: short stacking energy: -170.005
Base-Backbone interact. energy: -1.217
local terms energy: -214.656929
where:
bonds (distance) C4'-P energy: -42.191
bonds (distance) P-C4' energy: -51.067
flat angles C4'-P-C4' energy: -45.318
flat angles P-C4'-P energy: -31.483
tors. eta vs tors. theta energy: -44.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -622.484038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.484038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.484038 (E_RNA)
where:
Base-Base interactions energy: -436.296
where: short stacking energy: -203.974
Base-Backbone interact. energy: -0.779
local terms energy: -185.408855
where:
bonds (distance) C4'-P energy: -39.995
bonds (distance) P-C4' energy: -30.343
flat angles C4'-P-C4' energy: -44.117
flat angles P-C4'-P energy: -20.467
tors. eta vs tors. theta energy: -50.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -616.003094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.003094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.003094 (E_RNA)
where:
Base-Base interactions energy: -417.986
where: short stacking energy: -173.931
Base-Backbone interact. energy: -1.660
local terms energy: -196.357803
where:
bonds (distance) C4'-P energy: -49.339
bonds (distance) P-C4' energy: -44.685
flat angles C4'-P-C4' energy: -32.916
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -55.397
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: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -502.677801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.677801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.677801 (E_RNA)
where:
Base-Base interactions energy: -337.229
where: short stacking energy: -157.220
Base-Backbone interact. energy: -0.591
local terms energy: -164.857329
where:
bonds (distance) C4'-P energy: -37.374
bonds (distance) P-C4' energy: -34.988
flat angles C4'-P-C4' energy: -38.480
flat angles P-C4'-P energy: -25.791
tors. eta vs tors. theta energy: -28.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -226.674152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.674152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.674152 (E_RNA)
where:
Base-Base interactions energy: -98.629
where: short stacking energy: -66.636
Base-Backbone interact. energy: 0.665
local terms energy: -128.709752
where:
bonds (distance) C4'-P energy: -46.454
bonds (distance) P-C4' energy: -32.540
flat angles C4'-P-C4' energy: -34.172
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -0.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -207.210364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.210364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.210364 (E_RNA)
where:
Base-Base interactions energy: -68.358
where: short stacking energy: -54.221
Base-Backbone interact. energy: -0.324
local terms energy: -138.528779
where:
bonds (distance) C4'-P energy: -43.249
bonds (distance) P-C4' energy: -39.388
flat angles C4'-P-C4' energy: -39.079
flat angles P-C4'-P energy: -24.741
tors. eta vs tors. theta energy: 7.929
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: 5
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -852.516741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.516741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.516741 (E_RNA)
where:
Base-Base interactions energy: -599.292
where: short stacking energy: -248.273
Base-Backbone interact. energy: -0.688
local terms energy: -252.537602
where:
bonds (distance) C4'-P energy: -41.219
bonds (distance) P-C4' energy: -48.988
flat angles C4'-P-C4' energy: -48.820
flat angles P-C4'-P energy: -36.441
tors. eta vs tors. theta energy: -77.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -803.845451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.845451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.845451 (E_RNA)
where:
Base-Base interactions energy: -558.472
where: short stacking energy: -238.119
Base-Backbone interact. energy: -0.216
local terms energy: -245.157891
where:
bonds (distance) C4'-P energy: -49.677
bonds (distance) P-C4' energy: -47.722
flat angles C4'-P-C4' energy: -51.419
flat angles P-C4'-P energy: -31.677
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: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -775.549859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.549859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.549859 (E_RNA)
where:
Base-Base interactions energy: -531.854
where: short stacking energy: -219.771
Base-Backbone interact. energy: -1.298
local terms energy: -242.398339
where:
bonds (distance) C4'-P energy: -44.919
bonds (distance) P-C4' energy: -52.731
flat angles C4'-P-C4' energy: -47.343
flat angles P-C4'-P energy: -35.643
tors. eta vs tors. theta energy: -61.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -713.707705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.707705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.707705 (E_RNA)
where:
Base-Base interactions energy: -484.392
where: short stacking energy: -208.380
Base-Backbone interact. energy: -0.277
local terms energy: -229.039136
where:
bonds (distance) C4'-P energy: -34.984
bonds (distance) P-C4' energy: -47.838
flat angles C4'-P-C4' energy: -53.345
flat angles P-C4'-P energy: -31.639
tors. eta vs tors. theta energy: -61.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -688.981434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.981434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.981434 (E_RNA)
where:
Base-Base interactions energy: -463.699
where: short stacking energy: -216.185
Base-Backbone interact. energy: -0.768
local terms energy: -224.514361
where:
bonds (distance) C4'-P energy: -40.827
bonds (distance) P-C4' energy: -47.398
flat angles C4'-P-C4' energy: -43.157
flat angles P-C4'-P energy: -20.795
tors. eta vs tors. theta energy: -72.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -650.419703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.419703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.419703 (E_RNA)
where:
Base-Base interactions energy: -441.779
where: short stacking energy: -200.718
Base-Backbone interact. energy: -1.044
local terms energy: -207.597188
where:
bonds (distance) C4'-P energy: -33.782
bonds (distance) P-C4' energy: -47.183
flat angles C4'-P-C4' energy: -40.584
flat angles P-C4'-P energy: -29.777
tors. eta vs tors. theta energy: -56.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -596.508690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.508690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.508690 (E_RNA)
where:
Base-Base interactions energy: -394.771
where: short stacking energy: -166.804
Base-Backbone interact. energy: -1.396
local terms energy: -200.341925
where:
bonds (distance) C4'-P energy: -46.197
bonds (distance) P-C4' energy: -36.935
flat angles C4'-P-C4' energy: -41.366
flat angles P-C4'-P energy: -36.858
tors. eta vs tors. theta energy: -38.985
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: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -501.506989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.506989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.506989 (E_RNA)
where:
Base-Base interactions energy: -321.113
where: short stacking energy: -147.306
Base-Backbone interact. energy: 2.316
local terms energy: -182.709371
where:
bonds (distance) C4'-P energy: -38.049
bonds (distance) P-C4' energy: -48.509
flat angles C4'-P-C4' energy: -48.645
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -30.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -223.229365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.229365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.229365 (E_RNA)
where:
Base-Base interactions energy: -103.467
where: short stacking energy: -69.895
Base-Backbone interact. energy: -0.687
local terms energy: -119.074581
where:
bonds (distance) C4'-P energy: -41.023
bonds (distance) P-C4' energy: -35.481
flat angles C4'-P-C4' energy: -33.068
flat angles P-C4'-P energy: -17.954
tors. eta vs tors. theta energy: 8.451
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: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -236.196750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.196750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.196750 (E_RNA)
where:
Base-Base interactions energy: -106.092
where: short stacking energy: -74.637
Base-Backbone interact. energy: -0.546
local terms energy: -129.559374
where:
bonds (distance) C4'-P energy: -35.777
bonds (distance) P-C4' energy: -39.215
flat angles C4'-P-C4' energy: -32.049
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: -1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -856.852650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.852650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.852650 (E_RNA)
where:
Base-Base interactions energy: -584.350
where: short stacking energy: -260.069
Base-Backbone interact. energy: -0.478
local terms energy: -272.024711
where:
bonds (distance) C4'-P energy: -48.154
bonds (distance) P-C4' energy: -50.000
flat angles C4'-P-C4' energy: -55.284
flat angles P-C4'-P energy: -36.662
tors. eta vs tors. theta energy: -81.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -798.620500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.620500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.620500 (E_RNA)
where:
Base-Base interactions energy: -544.028
where: short stacking energy: -227.767
Base-Backbone interact. energy: -1.265
local terms energy: -253.327377
where:
bonds (distance) C4'-P energy: -46.200
bonds (distance) P-C4' energy: -46.024
flat angles C4'-P-C4' energy: -61.398
flat angles P-C4'-P energy: -33.813
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: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -798.013578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.013578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.013578 (E_RNA)
where:
Base-Base interactions energy: -558.838
where: short stacking energy: -238.317
Base-Backbone interact. energy: -1.329
local terms energy: -237.846297
where:
bonds (distance) C4'-P energy: -41.239
bonds (distance) P-C4' energy: -46.598
flat angles C4'-P-C4' energy: -47.485
flat angles P-C4'-P energy: -34.367
tors. eta vs tors. theta energy: -68.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -715.825267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.825267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.825267 (E_RNA)
where:
Base-Base interactions energy: -500.433
where: short stacking energy: -203.522
Base-Backbone interact. energy: -1.264
local terms energy: -214.128101
where:
bonds (distance) C4'-P energy: -42.083
bonds (distance) P-C4' energy: -49.021
flat angles C4'-P-C4' energy: -45.804
flat angles P-C4'-P energy: -24.949
tors. eta vs tors. theta energy: -52.270
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: 9
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -709.107037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.107037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.107037 (E_RNA)
where:
Base-Base interactions energy: -486.288
where: short stacking energy: -222.798
Base-Backbone interact. energy: -0.933
local terms energy: -221.886646
where:
bonds (distance) C4'-P energy: -34.941
bonds (distance) P-C4' energy: -44.904
flat angles C4'-P-C4' energy: -43.407
flat angles P-C4'-P energy: -35.784
tors. eta vs tors. theta energy: -62.851
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: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -625.067604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.067604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.067604 (E_RNA)
where:
Base-Base interactions energy: -423.225
where: short stacking energy: -176.767
Base-Backbone interact. energy: -0.429
local terms energy: -201.413239
where:
bonds (distance) C4'-P energy: -46.687
bonds (distance) P-C4' energy: -37.081
flat angles C4'-P-C4' energy: -45.866
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -50.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -545.885076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.885076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.885076 (E_RNA)
where:
Base-Base interactions energy: -368.078
where: short stacking energy: -150.996
Base-Backbone interact. energy: -1.716
local terms energy: -176.091562
where:
bonds (distance) C4'-P energy: -43.595
bonds (distance) P-C4' energy: -39.760
flat angles C4'-P-C4' energy: -27.773
flat angles P-C4'-P energy: -28.865
tors. eta vs tors. theta energy: -36.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -518.091442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.091442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.091442 (E_RNA)
where:
Base-Base interactions energy: -324.617
where: short stacking energy: -144.407
Base-Backbone interact. energy: 0.705
local terms energy: -194.179215
where:
bonds (distance) C4'-P energy: -37.336
bonds (distance) P-C4' energy: -41.886
flat angles C4'-P-C4' energy: -48.426
flat angles P-C4'-P energy: -30.907
tors. eta vs tors. theta energy: -35.624
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: 9, replica: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -236.416837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.416837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.416837 (E_RNA)
where:
Base-Base interactions energy: -81.912
where: short stacking energy: -72.405
Base-Backbone interact. energy: 0.352
local terms energy: -154.856230
where:
bonds (distance) C4'-P energy: -39.579
bonds (distance) P-C4' energy: -39.078
flat angles C4'-P-C4' energy: -48.403
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -9.671
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: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -211.441073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.441073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.441073 (E_RNA)
where:
Base-Base interactions energy: -81.544
where: short stacking energy: -80.525
Base-Backbone interact. energy: 4.653
local terms energy: -134.550662
where:
bonds (distance) C4'-P energy: -40.408
bonds (distance) P-C4' energy: -38.699
flat angles C4'-P-C4' energy: -31.036
flat angles P-C4'-P energy: -23.520
tors. eta vs tors. theta energy: -0.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -846.826781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.826781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.826781 (E_RNA)
where:
Base-Base interactions energy: -584.827
where: short stacking energy: -231.967
Base-Backbone interact. energy: -0.265
local terms energy: -261.734787
where:
bonds (distance) C4'-P energy: -51.185
bonds (distance) P-C4' energy: -43.127
flat angles C4'-P-C4' energy: -53.363
flat angles P-C4'-P energy: -39.562
tors. eta vs tors. theta energy: -74.498
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: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -813.816065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.816065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.816065 (E_RNA)
where:
Base-Base interactions energy: -561.983
where: short stacking energy: -224.623
Base-Backbone interact. energy: 0.995
local terms energy: -252.828063
where:
bonds (distance) C4'-P energy: -45.063
bonds (distance) P-C4' energy: -49.253
flat angles C4'-P-C4' energy: -52.855
flat angles P-C4'-P energy: -38.359
tors. eta vs tors. theta energy: -67.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -793.225888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.225888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.225888 (E_RNA)
where:
Base-Base interactions energy: -557.947
where: short stacking energy: -234.249
Base-Backbone interact. energy: -0.597
local terms energy: -234.682131
where:
bonds (distance) C4'-P energy: -36.207
bonds (distance) P-C4' energy: -46.637
flat angles C4'-P-C4' energy: -53.279
flat angles P-C4'-P energy: -34.493
tors. eta vs tors. theta energy: -64.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -715.321492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.321492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.321492 (E_RNA)
where:
Base-Base interactions energy: -502.297
where: short stacking energy: -209.094
Base-Backbone interact. energy: -1.663
local terms energy: -211.361055
where:
bonds (distance) C4'-P energy: -36.768
bonds (distance) P-C4' energy: -44.622
flat angles C4'-P-C4' energy: -45.371
flat angles P-C4'-P energy: -31.939
tors. eta vs tors. theta energy: -52.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -654.327731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.327731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.327731 (E_RNA)
where:
Base-Base interactions energy: -433.869
where: short stacking energy: -206.425
Base-Backbone interact. energy: 0.277
local terms energy: -220.735741
where:
bonds (distance) C4'-P energy: -40.795
bonds (distance) P-C4' energy: -38.618
flat angles C4'-P-C4' energy: -46.116
flat angles P-C4'-P energy: -37.939
tors. eta vs tors. theta energy: -57.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -685.342816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.342816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.342816 (E_RNA)
where:
Base-Base interactions energy: -466.836
where: short stacking energy: -200.757
Base-Backbone interact. energy: 0.131
local terms energy: -218.637186
where:
bonds (distance) C4'-P energy: -49.829
bonds (distance) P-C4' energy: -37.436
flat angles C4'-P-C4' energy: -39.776
flat angles P-C4'-P energy: -38.004
tors. eta vs tors. theta energy: -53.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -594.116469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.116469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.116469 (E_RNA)
where:
Base-Base interactions energy: -408.049
where: short stacking energy: -184.531
Base-Backbone interact. energy: -0.801
local terms energy: -185.266546
where:
bonds (distance) C4'-P energy: -35.131
bonds (distance) P-C4' energy: -51.061
flat angles C4'-P-C4' energy: -31.284
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -48.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -529.754204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.754204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.754204 (E_RNA)
where:
Base-Base interactions energy: -330.726
where: short stacking energy: -151.568
Base-Backbone interact. energy: 0.396
local terms energy: -199.425044
where:
bonds (distance) C4'-P energy: -42.045
bonds (distance) P-C4' energy: -39.262
flat angles C4'-P-C4' energy: -53.193
flat angles P-C4'-P energy: -27.516
tors. eta vs tors. theta energy: -37.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -223.257016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.257016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.257016 (E_RNA)
where:
Base-Base interactions energy: -77.988
where: short stacking energy: -76.042
Base-Backbone interact. energy: -0.609
local terms energy: -144.660038
where:
bonds (distance) C4'-P energy: -39.544
bonds (distance) P-C4' energy: -35.233
flat angles C4'-P-C4' energy: -39.595
flat angles P-C4'-P energy: -20.141
tors. eta vs tors. theta energy: -10.147
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: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -231.964393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.964393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.964393 (E_RNA)
where:
Base-Base interactions energy: -103.558
where: short stacking energy: -70.119
Base-Backbone interact. energy: -0.538
local terms energy: -127.868568
where:
bonds (distance) C4'-P energy: -31.542
bonds (distance) P-C4' energy: -43.731
flat angles C4'-P-C4' energy: -37.380
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: 0.958
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: 5
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -845.268772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.268772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.268772 (E_RNA)
where:
Base-Base interactions energy: -582.778
where: short stacking energy: -239.828
Base-Backbone interact. energy: -0.932
local terms energy: -261.558788
where:
bonds (distance) C4'-P energy: -46.223
bonds (distance) P-C4' energy: -52.764
flat angles C4'-P-C4' energy: -51.521
flat angles P-C4'-P energy: -36.256
tors. eta vs tors. theta energy: -74.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -804.426930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.426930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.426930 (E_RNA)
where:
Base-Base interactions energy: -565.744
where: short stacking energy: -237.250
Base-Backbone interact. energy: -2.198
local terms energy: -236.484705
where:
bonds (distance) C4'-P energy: -44.557
bonds (distance) P-C4' energy: -42.039
flat angles C4'-P-C4' energy: -47.457
flat angles P-C4'-P energy: -36.050
tors. eta vs tors. theta energy: -66.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -785.199617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.199617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.199617 (E_RNA)
where:
Base-Base interactions energy: -560.515
where: short stacking energy: -241.888
Base-Backbone interact. energy: 0.534
local terms energy: -225.218694
where:
bonds (distance) C4'-P energy: -39.210
bonds (distance) P-C4' energy: -45.060
flat angles C4'-P-C4' energy: -48.031
flat angles P-C4'-P energy: -30.667
tors. eta vs tors. theta energy: -62.251
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: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -739.693827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.693827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.693827 (E_RNA)
where:
Base-Base interactions energy: -516.784
where: short stacking energy: -221.968
Base-Backbone interact. energy: 0.275
local terms energy: -223.184080
where:
bonds (distance) C4'-P energy: -43.131
bonds (distance) P-C4' energy: -49.902
flat angles C4'-P-C4' energy: -39.454
flat angles P-C4'-P energy: -33.071
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: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -678.761539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.761539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.761539 (E_RNA)
where:
Base-Base interactions energy: -456.140
where: short stacking energy: -195.009
Base-Backbone interact. energy: -0.760
local terms energy: -221.861363
where:
bonds (distance) C4'-P energy: -45.854
bonds (distance) P-C4' energy: -48.957
flat angles C4'-P-C4' energy: -42.797
flat angles P-C4'-P energy: -33.791
tors. eta vs tors. theta energy: -50.463
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: 9
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -696.826958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.826958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.826958 (E_RNA)
where:
Base-Base interactions energy: -478.234
where: short stacking energy: -200.876
Base-Backbone interact. energy: -1.351
local terms energy: -217.242108
where:
bonds (distance) C4'-P energy: -35.073
bonds (distance) P-C4' energy: -43.383
flat angles C4'-P-C4' energy: -49.972
flat angles P-C4'-P energy: -29.587
tors. eta vs tors. theta energy: -59.227
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: 7, replica: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -593.554395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.554395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.554395 (E_RNA)
where:
Base-Base interactions energy: -404.162
where: short stacking energy: -184.000
Base-Backbone interact. energy: 2.422
local terms energy: -191.814979
where:
bonds (distance) C4'-P energy: -36.561
bonds (distance) P-C4' energy: -35.249
flat angles C4'-P-C4' energy: -43.903
flat angles P-C4'-P energy: -29.726
tors. eta vs tors. theta energy: -46.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -539.225186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.225186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.225186 (E_RNA)
where:
Base-Base interactions energy: -360.091
where: short stacking energy: -169.638
Base-Backbone interact. energy: -1.562
local terms energy: -177.572387
where:
bonds (distance) C4'-P energy: -28.980
bonds (distance) P-C4' energy: -32.454
flat angles C4'-P-C4' energy: -41.996
flat angles P-C4'-P energy: -28.427
tors. eta vs tors. theta energy: -45.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -222.296497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.296497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.296497 (E_RNA)
where:
Base-Base interactions energy: -79.159
where: short stacking energy: -59.006
Base-Backbone interact. energy: -0.284
local terms energy: -142.853618
where:
bonds (distance) C4'-P energy: -33.870
bonds (distance) P-C4' energy: -46.903
flat angles C4'-P-C4' energy: -43.720
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: 3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -281.680579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.680579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.680579 (E_RNA)
where:
Base-Base interactions energy: -127.607
where: short stacking energy: -65.285
Base-Backbone interact. energy: -1.284
local terms energy: -152.789857
where:
bonds (distance) C4'-P energy: -44.614
bonds (distance) P-C4' energy: -49.426
flat angles C4'-P-C4' energy: -42.259
flat angles P-C4'-P energy: -22.883
tors. eta vs tors. theta energy: 6.392
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: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -818.501937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.501937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.501937 (E_RNA)
where:
Base-Base interactions energy: -555.799
where: short stacking energy: -239.467
Base-Backbone interact. energy: -0.933
local terms energy: -261.770238
where:
bonds (distance) C4'-P energy: -52.605
bonds (distance) P-C4' energy: -50.007
flat angles C4'-P-C4' energy: -55.098
flat angles P-C4'-P energy: -34.488
tors. eta vs tors. theta energy: -69.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -836.761299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.761299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.761299 (E_RNA)
where:
Base-Base interactions energy: -588.372
where: short stacking energy: -251.576
Base-Backbone interact. energy: -0.143
local terms energy: -248.245978
where:
bonds (distance) C4'-P energy: -41.325
bonds (distance) P-C4' energy: -44.713
flat angles C4'-P-C4' energy: -47.570
flat angles P-C4'-P energy: -36.677
tors. eta vs tors. theta energy: -77.962
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: 3, replica: 8
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -766.566238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.566238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.566238 (E_RNA)
where:
Base-Base interactions energy: -545.275
where: short stacking energy: -216.569
Base-Backbone interact. energy: -1.187
local terms energy: -220.103879
where:
bonds (distance) C4'-P energy: -39.649
bonds (distance) P-C4' energy: -42.345
flat angles C4'-P-C4' energy: -44.166
flat angles P-C4'-P energy: -36.770
tors. eta vs tors. theta energy: -57.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -731.478771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.478771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.478771 (E_RNA)
where:
Base-Base interactions energy: -523.377
where: short stacking energy: -214.984
Base-Backbone interact. energy: -1.090
local terms energy: -207.011549
where:
bonds (distance) C4'-P energy: -41.912
bonds (distance) P-C4' energy: -40.813
flat angles C4'-P-C4' energy: -42.456
flat angles P-C4'-P energy: -27.773
tors. eta vs tors. theta energy: -54.057
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: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -655.175163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.175163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.175163 (E_RNA)
where:
Base-Base interactions energy: -456.001
where: short stacking energy: -200.346
Base-Backbone interact. energy: -1.418
local terms energy: -197.755906
where:
bonds (distance) C4'-P energy: -34.662
bonds (distance) P-C4' energy: -42.569
flat angles C4'-P-C4' energy: -45.342
flat angles P-C4'-P energy: -30.584
tors. eta vs tors. theta energy: -44.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -663.502825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.502825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.502825 (E_RNA)
where:
Base-Base interactions energy: -470.845
where: short stacking energy: -202.957
Base-Backbone interact. energy: -0.677
local terms energy: -191.980570
where:
bonds (distance) C4'-P energy: -30.063
bonds (distance) P-C4' energy: -39.655
flat angles C4'-P-C4' energy: -41.113
flat angles P-C4'-P energy: -25.775
tors. eta vs tors. theta energy: -55.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -599.017080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.017080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.017080 (E_RNA)
where:
Base-Base interactions energy: -397.669
where: short stacking energy: -172.853
Base-Backbone interact. energy: 2.108
local terms energy: -203.456603
where:
bonds (distance) C4'-P energy: -42.740
bonds (distance) P-C4' energy: -38.466
flat angles C4'-P-C4' energy: -45.973
flat angles P-C4'-P energy: -32.077
tors. eta vs tors. theta energy: -44.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -582.465380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.465380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.465380 (E_RNA)
where:
Base-Base interactions energy: -391.685
where: short stacking energy: -176.121
Base-Backbone interact. energy: -1.376
local terms energy: -189.404309
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -42.012
flat angles C4'-P-C4' energy: -44.614
flat angles P-C4'-P energy: -33.243
tors. eta vs tors. theta energy: -48.621
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: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -306.405234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.405234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.405234 (E_RNA)
where:
Base-Base interactions energy: -160.924
where: short stacking energy: -82.418
Base-Backbone interact. energy: -1.387
local terms energy: -144.094377
where:
bonds (distance) C4'-P energy: -38.750
bonds (distance) P-C4' energy: -45.361
flat angles C4'-P-C4' energy: -31.584
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -9.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -218.133229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.133229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.133229 (E_RNA)
where:
Base-Base interactions energy: -74.786
where: short stacking energy: -63.220
Base-Backbone interact. energy: -0.442
local terms energy: -142.905448
where:
bonds (distance) C4'-P energy: -30.658
bonds (distance) P-C4' energy: -47.384
flat angles C4'-P-C4' energy: -43.095
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: -0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -814.270086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.270086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.270086 (E_RNA)
where:
Base-Base interactions energy: -554.837
where: short stacking energy: -226.883
Base-Backbone interact. energy: -1.108
local terms energy: -258.324477
where:
bonds (distance) C4'-P energy: -48.991
bonds (distance) P-C4' energy: -52.700
flat angles C4'-P-C4' energy: -51.364
flat angles P-C4'-P energy: -36.748
tors. eta vs tors. theta energy: -68.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -821.525594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.525594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.525594 (E_RNA)
where:
Base-Base interactions energy: -579.781
where: short stacking energy: -244.690
Base-Backbone interact. energy: 0.181
local terms energy: -241.925889
where:
bonds (distance) C4'-P energy: -39.495
bonds (distance) P-C4' energy: -51.118
flat angles C4'-P-C4' energy: -45.704
flat angles P-C4'-P energy: -32.737
tors. eta vs tors. theta energy: -72.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -777.020842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.020842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.020842 (E_RNA)
where:
Base-Base interactions energy: -552.979
where: short stacking energy: -220.730
Base-Backbone interact. energy: 0.055
local terms energy: -224.097410
where:
bonds (distance) C4'-P energy: -34.435
bonds (distance) P-C4' energy: -46.085
flat angles C4'-P-C4' energy: -52.084
flat angles P-C4'-P energy: -33.340
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: 4, replica: 7
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -735.230645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.230645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.230645 (E_RNA)
where:
Base-Base interactions energy: -512.892
where: short stacking energy: -209.215
Base-Backbone interact. energy: -1.202
local terms energy: -221.137172
where:
bonds (distance) C4'-P energy: -44.666
bonds (distance) P-C4' energy: -41.875
flat angles C4'-P-C4' energy: -47.009
flat angles P-C4'-P energy: -31.641
tors. eta vs tors. theta energy: -55.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -634.155325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.155325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.155325 (E_RNA)
where:
Base-Base interactions energy: -428.086
where: short stacking energy: -181.285
Base-Backbone interact. energy: -1.119
local terms energy: -204.950915
where:
bonds (distance) C4'-P energy: -38.810
bonds (distance) P-C4' energy: -48.716
flat angles C4'-P-C4' energy: -45.936
flat angles P-C4'-P energy: -28.020
tors. eta vs tors. theta energy: -43.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -659.631923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.631923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.631923 (E_RNA)
where:
Base-Base interactions energy: -451.360
where: short stacking energy: -193.135
Base-Backbone interact. energy: -0.974
local terms energy: -207.298125
where:
bonds (distance) C4'-P energy: -40.685
bonds (distance) P-C4' energy: -40.769
flat angles C4'-P-C4' energy: -47.330
flat angles P-C4'-P energy: -27.257
tors. eta vs tors. theta energy: -51.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -605.670354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.670354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.670354 (E_RNA)
where:
Base-Base interactions energy: -408.073
where: short stacking energy: -160.426
Base-Backbone interact. energy: -0.715
local terms energy: -196.881686
where:
bonds (distance) C4'-P energy: -45.047
bonds (distance) P-C4' energy: -40.466
flat angles C4'-P-C4' energy: -33.169
flat angles P-C4'-P energy: -38.082
tors. eta vs tors. theta energy: -40.117
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: 3
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -594.773407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.773407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.773407 (E_RNA)
where:
Base-Base interactions energy: -404.777
where: short stacking energy: -187.295
Base-Backbone interact. energy: -0.897
local terms energy: -189.099250
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -44.617
flat angles C4'-P-C4' energy: -42.977
flat angles P-C4'-P energy: -22.953
tors. eta vs tors. theta energy: -44.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -290.104403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.104403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.104403 (E_RNA)
where:
Base-Base interactions energy: -149.274
where: short stacking energy: -82.019
Base-Backbone interact. energy: -1.008
local terms energy: -139.822167
where:
bonds (distance) C4'-P energy: -38.070
bonds (distance) P-C4' energy: -47.391
flat angles C4'-P-C4' energy: -27.187
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -212.215976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.215976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.215976 (E_RNA)
where:
Base-Base interactions energy: -79.704
where: short stacking energy: -60.759
Base-Backbone interact. energy: 0.330
local terms energy: -132.841853
where:
bonds (distance) C4'-P energy: -30.459
bonds (distance) P-C4' energy: -41.886
flat angles C4'-P-C4' energy: -37.716
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -6.283
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: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -847.483270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.483270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.483270 (E_RNA)
where:
Base-Base interactions energy: -575.636
where: short stacking energy: -245.785
Base-Backbone interact. energy: -0.190
local terms energy: -271.656914
where:
bonds (distance) C4'-P energy: -47.678
bonds (distance) P-C4' energy: -55.955
flat angles C4'-P-C4' energy: -52.086
flat angles P-C4'-P energy: -39.318
tors. eta vs tors. theta energy: -76.619
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: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -800.315142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.315142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.315142 (E_RNA)
where:
Base-Base interactions energy: -552.338
where: short stacking energy: -224.606
Base-Backbone interact. energy: -0.943
local terms energy: -247.034126
where:
bonds (distance) C4'-P energy: -42.090
bonds (distance) P-C4' energy: -43.472
flat angles C4'-P-C4' energy: -55.925
flat angles P-C4'-P energy: -42.758
tors. eta vs tors. theta energy: -62.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -778.950209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.950209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.950209 (E_RNA)
where:
Base-Base interactions energy: -563.707
where: short stacking energy: -216.630
Base-Backbone interact. energy: -2.410
local terms energy: -212.833020
where:
bonds (distance) C4'-P energy: -35.222
bonds (distance) P-C4' energy: -39.262
flat angles C4'-P-C4' energy: -46.340
flat angles P-C4'-P energy: -32.214
tors. eta vs tors. theta energy: -59.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -741.493229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.493229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.493229 (E_RNA)
where:
Base-Base interactions energy: -523.643
where: short stacking energy: -229.077
Base-Backbone interact. energy: -0.969
local terms energy: -216.880318
where:
bonds (distance) C4'-P energy: -43.543
bonds (distance) P-C4' energy: -37.401
flat angles C4'-P-C4' energy: -48.181
flat angles P-C4'-P energy: -30.473
tors. eta vs tors. theta energy: -57.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -668.536754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.536754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.536754 (E_RNA)
where:
Base-Base interactions energy: -473.312
where: short stacking energy: -200.105
Base-Backbone interact. energy: 4.008
local terms energy: -199.233382
where:
bonds (distance) C4'-P energy: -34.844
bonds (distance) P-C4' energy: -37.796
flat angles C4'-P-C4' energy: -39.682
flat angles P-C4'-P energy: -34.440
tors. eta vs tors. theta energy: -52.472
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: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -615.794893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.794893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.794893 (E_RNA)
where:
Base-Base interactions energy: -416.855
where: short stacking energy: -176.403
Base-Backbone interact. energy: -1.510
local terms energy: -197.430473
where:
bonds (distance) C4'-P energy: -39.709
bonds (distance) P-C4' energy: -42.732
flat angles C4'-P-C4' energy: -43.636
flat angles P-C4'-P energy: -27.911
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: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -601.142031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.142031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.142031 (E_RNA)
where:
Base-Base interactions energy: -391.266
where: short stacking energy: -183.238
Base-Backbone interact. energy: -0.448
local terms energy: -209.427728
where:
bonds (distance) C4'-P energy: -49.598
bonds (distance) P-C4' energy: -28.242
flat angles C4'-P-C4' energy: -44.596
flat angles P-C4'-P energy: -37.273
tors. eta vs tors. theta energy: -49.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -585.515608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.515608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.515608 (E_RNA)
where:
Base-Base interactions energy: -410.221
where: short stacking energy: -167.623
Base-Backbone interact. energy: 2.493
local terms energy: -177.788072
where:
bonds (distance) C4'-P energy: -30.338
bonds (distance) P-C4' energy: -42.581
flat angles C4'-P-C4' energy: -41.381
flat angles P-C4'-P energy: -25.669
tors. eta vs tors. theta energy: -37.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -270.557661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.557661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.557661 (E_RNA)
where:
Base-Base interactions energy: -116.898
where: short stacking energy: -90.173
Base-Backbone interact. energy: 2.630
local terms energy: -156.290332
where:
bonds (distance) C4'-P energy: -29.107
bonds (distance) P-C4' energy: -44.840
flat angles C4'-P-C4' energy: -38.019
flat angles P-C4'-P energy: -33.895
tors. eta vs tors. theta energy: -10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -214.315762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.315762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.315762 (E_RNA)
where:
Base-Base interactions energy: -74.238
where: short stacking energy: -54.423
Base-Backbone interact. energy: 1.591
local terms energy: -141.668741
where:
bonds (distance) C4'-P energy: -37.672
bonds (distance) P-C4' energy: -50.372
flat angles C4'-P-C4' energy: -30.691
flat angles P-C4'-P energy: -25.244
tors. eta vs tors. theta energy: 2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -834.574727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.574727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.574727 (E_RNA)
where:
Base-Base interactions energy: -577.675
where: short stacking energy: -261.049
Base-Backbone interact. energy: -0.273
local terms energy: -256.627226
where:
bonds (distance) C4'-P energy: -43.718
bonds (distance) P-C4' energy: -48.359
flat angles C4'-P-C4' energy: -55.392
flat angles P-C4'-P energy: -29.981
tors. eta vs tors. theta energy: -79.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -797.733606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.733606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.733606 (E_RNA)
where:
Base-Base interactions energy: -555.184
where: short stacking energy: -227.577
Base-Backbone interact. energy: -0.667
local terms energy: -241.881901
where:
bonds (distance) C4'-P energy: -44.556
bonds (distance) P-C4' energy: -43.692
flat angles C4'-P-C4' energy: -52.010
flat angles P-C4'-P energy: -40.511
tors. eta vs tors. theta energy: -61.112
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: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -782.549516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.549516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.549516 (E_RNA)
where:
Base-Base interactions energy: -536.259
where: short stacking energy: -227.896
Base-Backbone interact. energy: -0.647
local terms energy: -245.643544
where:
bonds (distance) C4'-P energy: -45.315
bonds (distance) P-C4' energy: -48.722
flat angles C4'-P-C4' energy: -45.498
flat angles P-C4'-P energy: -36.291
tors. eta vs tors. theta energy: -69.816
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: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -752.979462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.979462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.979462 (E_RNA)
where:
Base-Base interactions energy: -520.592
where: short stacking energy: -217.677
Base-Backbone interact. energy: -1.919
local terms energy: -230.468342
where:
bonds (distance) C4'-P energy: -46.667
bonds (distance) P-C4' energy: -36.089
flat angles C4'-P-C4' energy: -55.091
flat angles P-C4'-P energy: -31.417
tors. eta vs tors. theta energy: -61.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -702.295398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.295398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.295398 (E_RNA)
where:
Base-Base interactions energy: -483.549
where: short stacking energy: -190.269
Base-Backbone interact. energy: -0.755
local terms energy: -217.992056
where:
bonds (distance) C4'-P energy: -44.801
bonds (distance) P-C4' energy: -37.867
flat angles C4'-P-C4' energy: -48.898
flat angles P-C4'-P energy: -37.452
tors. eta vs tors. theta energy: -48.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -619.674245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.674245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.674245 (E_RNA)
where:
Base-Base interactions energy: -396.568
where: short stacking energy: -174.163
Base-Backbone interact. energy: -0.180
local terms energy: -222.926526
where:
bonds (distance) C4'-P energy: -41.657
bonds (distance) P-C4' energy: -45.357
flat angles C4'-P-C4' energy: -45.966
flat angles P-C4'-P energy: -38.191
tors. eta vs tors. theta energy: -51.756
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: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -575.414860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.414860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.414860 (E_RNA)
where:
Base-Base interactions energy: -390.207
where: short stacking energy: -167.444
Base-Backbone interact. energy: -0.862
local terms energy: -184.345586
where:
bonds (distance) C4'-P energy: -44.216
bonds (distance) P-C4' energy: -35.478
flat angles C4'-P-C4' energy: -46.488
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -40.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -526.198416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.198416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.198416 (E_RNA)
where:
Base-Base interactions energy: -332.937
where: short stacking energy: -129.051
Base-Backbone interact. energy: -0.172
local terms energy: -193.088943
where:
bonds (distance) C4'-P energy: -45.915
bonds (distance) P-C4' energy: -42.200
flat angles C4'-P-C4' energy: -44.750
flat angles P-C4'-P energy: -23.431
tors. eta vs tors. theta energy: -36.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -306.312325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.312325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.312325 (E_RNA)
where:
Base-Base interactions energy: -173.346
where: short stacking energy: -93.206
Base-Backbone interact. energy: 0.391
local terms energy: -133.357699
where:
bonds (distance) C4'-P energy: -40.819
bonds (distance) P-C4' energy: -39.279
flat angles C4'-P-C4' energy: -27.907
flat angles P-C4'-P energy: -19.678
tors. eta vs tors. theta energy: -5.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -250.359838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.359838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.359838 (E_RNA)
where:
Base-Base interactions energy: -110.995
where: short stacking energy: -70.764
Base-Backbone interact. energy: -0.820
local terms energy: -138.544855
where:
bonds (distance) C4'-P energy: -35.545
bonds (distance) P-C4' energy: -45.367
flat angles C4'-P-C4' energy: -30.744
flat angles P-C4'-P energy: -22.667
tors. eta vs tors. theta energy: -4.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -850.599611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.599611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.599611 (E_RNA)
where:
Base-Base interactions energy: -588.675
where: short stacking energy: -246.238
Base-Backbone interact. energy: -0.439
local terms energy: -261.485660
where:
bonds (distance) C4'-P energy: -51.963
bonds (distance) P-C4' energy: -49.025
flat angles C4'-P-C4' energy: -55.193
flat angles P-C4'-P energy: -28.563
tors. eta vs tors. theta energy: -76.741
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: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -800.480708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.480708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.480708 (E_RNA)
where:
Base-Base interactions energy: -549.238
where: short stacking energy: -229.868
Base-Backbone interact. energy: -1.222
local terms energy: -250.021007
where:
bonds (distance) C4'-P energy: -49.701
bonds (distance) P-C4' energy: -47.021
flat angles C4'-P-C4' energy: -54.567
flat angles P-C4'-P energy: -29.624
tors. eta vs tors. theta energy: -69.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -795.183019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.183019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.183019 (E_RNA)
where:
Base-Base interactions energy: -543.588
where: short stacking energy: -231.521
Base-Backbone interact. energy: -1.156
local terms energy: -250.439251
where:
bonds (distance) C4'-P energy: -49.209
bonds (distance) P-C4' energy: -44.062
flat angles C4'-P-C4' energy: -48.915
flat angles P-C4'-P energy: -35.175
tors. eta vs tors. theta energy: -73.078
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: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -746.976953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.976953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.976953 (E_RNA)
where:
Base-Base interactions energy: -528.841
where: short stacking energy: -225.484
Base-Backbone interact. energy: 2.061
local terms energy: -220.197143
where:
bonds (distance) C4'-P energy: -43.425
bonds (distance) P-C4' energy: -38.506
flat angles C4'-P-C4' energy: -49.361
flat angles P-C4'-P energy: -26.084
tors. eta vs tors. theta energy: -62.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -672.921343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.921343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.921343 (E_RNA)
where:
Base-Base interactions energy: -467.208
where: short stacking energy: -194.302
Base-Backbone interact. energy: 0.444
local terms energy: -206.158069
where:
bonds (distance) C4'-P energy: -42.098
bonds (distance) P-C4' energy: -39.964
flat angles C4'-P-C4' energy: -38.897
flat angles P-C4'-P energy: -29.196
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: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -604.449035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.449035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.449035 (E_RNA)
where:
Base-Base interactions energy: -408.804
where: short stacking energy: -194.803
Base-Backbone interact. energy: -0.490
local terms energy: -195.154874
where:
bonds (distance) C4'-P energy: -38.183
bonds (distance) P-C4' energy: -43.067
flat angles C4'-P-C4' energy: -35.334
flat angles P-C4'-P energy: -28.662
tors. eta vs tors. theta energy: -49.909
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: 7, replica: 1
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -595.503700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.503700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.503700 (E_RNA)
where:
Base-Base interactions energy: -393.583
where: short stacking energy: -164.516
Base-Backbone interact. energy: -0.048
local terms energy: -201.873012
where:
bonds (distance) C4'-P energy: -45.601
bonds (distance) P-C4' energy: -40.699
flat angles C4'-P-C4' energy: -44.392
flat angles P-C4'-P energy: -33.167
tors. eta vs tors. theta energy: -38.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -589.541324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.541324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.541324 (E_RNA)
where:
Base-Base interactions energy: -399.125
where: short stacking energy: -170.935
Base-Backbone interact. energy: -1.864
local terms energy: -188.552060
where:
bonds (distance) C4'-P energy: -31.114
bonds (distance) P-C4' energy: -35.259
flat angles C4'-P-C4' energy: -44.150
flat angles P-C4'-P energy: -30.157
tors. eta vs tors. theta energy: -47.872
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: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -255.280450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.280450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.280450 (E_RNA)
where:
Base-Base interactions energy: -132.995
where: short stacking energy: -80.804
Base-Backbone interact. energy: 1.329
local terms energy: -123.614938
where:
bonds (distance) C4'-P energy: -33.140
bonds (distance) P-C4' energy: -38.333
flat angles C4'-P-C4' energy: -27.373
flat angles P-C4'-P energy: -25.229
tors. eta vs tors. theta energy: 0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -213.998427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.998427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.998427 (E_RNA)
where:
Base-Base interactions energy: -95.534
where: short stacking energy: -83.637
Base-Backbone interact. energy: -0.436
local terms energy: -118.028587
where:
bonds (distance) C4'-P energy: -27.953
bonds (distance) P-C4' energy: -34.250
flat angles C4'-P-C4' energy: -33.374
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -851.928043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.928043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.928043 (E_RNA)
where:
Base-Base interactions energy: -593.218
where: short stacking energy: -258.823
Base-Backbone interact. energy: -0.016
local terms energy: -258.693456
where:
bonds (distance) C4'-P energy: -42.925
bonds (distance) P-C4' energy: -38.048
flat angles C4'-P-C4' energy: -54.442
flat angles P-C4'-P energy: -37.990
tors. eta vs tors. theta energy: -85.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -816.162899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.162899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.162899 (E_RNA)
where:
Base-Base interactions energy: -569.309
where: short stacking energy: -233.360
Base-Backbone interact. energy: -0.245
local terms energy: -246.609216
where:
bonds (distance) C4'-P energy: -47.432
bonds (distance) P-C4' energy: -45.034
flat angles C4'-P-C4' energy: -51.919
flat angles P-C4'-P energy: -35.047
tors. eta vs tors. theta energy: -67.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -795.486761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.486761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.486761 (E_RNA)
where:
Base-Base interactions energy: -553.141
where: short stacking energy: -225.873
Base-Backbone interact. energy: -0.325
local terms energy: -242.020234
where:
bonds (distance) C4'-P energy: -45.008
bonds (distance) P-C4' energy: -43.753
flat angles C4'-P-C4' energy: -47.094
flat angles P-C4'-P energy: -38.398
tors. eta vs tors. theta energy: -67.768
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: 4, replica: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -751.451727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.451727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.451727 (E_RNA)
where:
Base-Base interactions energy: -521.712
where: short stacking energy: -220.423
Base-Backbone interact. energy: -3.172
local terms energy: -226.568227
where:
bonds (distance) C4'-P energy: -39.302
bonds (distance) P-C4' energy: -44.491
flat angles C4'-P-C4' energy: -50.792
flat angles P-C4'-P energy: -31.103
tors. eta vs tors. theta energy: -60.880
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: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -683.285919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.285919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.285919 (E_RNA)
where:
Base-Base interactions energy: -476.552
where: short stacking energy: -203.066
Base-Backbone interact. energy: 0.645
local terms energy: -207.378683
where:
bonds (distance) C4'-P energy: -36.274
bonds (distance) P-C4' energy: -46.230
flat angles C4'-P-C4' energy: -46.045
flat angles P-C4'-P energy: -26.490
tors. eta vs tors. theta energy: -52.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -610.899142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.899142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.899142 (E_RNA)
where:
Base-Base interactions energy: -399.797
where: short stacking energy: -165.412
Base-Backbone interact. energy: -1.210
local terms energy: -209.892420
where:
bonds (distance) C4'-P energy: -38.944
bonds (distance) P-C4' energy: -48.980
flat angles C4'-P-C4' energy: -44.206
flat angles P-C4'-P energy: -35.895
tors. eta vs tors. theta energy: -41.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -630.329738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.329738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.329738 (E_RNA)
where:
Base-Base interactions energy: -437.178
where: short stacking energy: -191.437
Base-Backbone interact. energy: 2.422
local terms energy: -195.574630
where:
bonds (distance) C4'-P energy: -43.363
bonds (distance) P-C4' energy: -38.894
flat angles C4'-P-C4' energy: -43.644
flat angles P-C4'-P energy: -21.269
tors. eta vs tors. theta energy: -48.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -622.004154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.004154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.004154 (E_RNA)
where:
Base-Base interactions energy: -424.538
where: short stacking energy: -166.318
Base-Backbone interact. energy: -0.785
local terms energy: -196.681143
where:
bonds (distance) C4'-P energy: -37.963
bonds (distance) P-C4' energy: -46.911
flat angles C4'-P-C4' energy: -42.401
flat angles P-C4'-P energy: -24.585
tors. eta vs tors. theta energy: -44.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -297.898958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.898958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.898958 (E_RNA)
where:
Base-Base interactions energy: -142.436
where: short stacking energy: -98.147
Base-Backbone interact. energy: -0.555
local terms energy: -154.908055
where:
bonds (distance) C4'-P energy: -38.525
bonds (distance) P-C4' energy: -41.389
flat angles C4'-P-C4' energy: -44.241
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -12.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -217.603722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.603722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.603722 (E_RNA)
where:
Base-Base interactions energy: -82.330
where: short stacking energy: -73.389
Base-Backbone interact. energy: -0.530
local terms energy: -134.743557
where:
bonds (distance) C4'-P energy: -40.148
bonds (distance) P-C4' energy: -40.241
flat angles C4'-P-C4' energy: -36.157
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -7.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -841.297934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.297934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.297934 (E_RNA)
where:
Base-Base interactions energy: -574.118
where: short stacking energy: -242.949
Base-Backbone interact. energy: -0.344
local terms energy: -266.835994
where:
bonds (distance) C4'-P energy: -48.962
bonds (distance) P-C4' energy: -45.714
flat angles C4'-P-C4' energy: -53.668
flat angles P-C4'-P energy: -44.619
tors. eta vs tors. theta energy: -73.873
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: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -802.001119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.001119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.001119 (E_RNA)
where:
Base-Base interactions energy: -548.058
where: short stacking energy: -221.403
Base-Backbone interact. energy: -1.968
local terms energy: -251.974920
where:
bonds (distance) C4'-P energy: -46.432
bonds (distance) P-C4' energy: -54.856
flat angles C4'-P-C4' energy: -53.371
flat angles P-C4'-P energy: -29.619
tors. eta vs tors. theta energy: -67.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -756.199615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.199615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.199615 (E_RNA)
where:
Base-Base interactions energy: -540.596
where: short stacking energy: -220.788
Base-Backbone interact. energy: -0.513
local terms energy: -215.090502
where:
bonds (distance) C4'-P energy: -41.701
bonds (distance) P-C4' energy: -41.182
flat angles C4'-P-C4' energy: -43.802
flat angles P-C4'-P energy: -27.963
tors. eta vs tors. theta energy: -60.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -774.345885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.345885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.345885 (E_RNA)
where:
Base-Base interactions energy: -563.524
where: short stacking energy: -235.132
Base-Backbone interact. energy: 2.020
local terms energy: -212.841539
where:
bonds (distance) C4'-P energy: -51.456
bonds (distance) P-C4' energy: -37.069
flat angles C4'-P-C4' energy: -40.932
flat angles P-C4'-P energy: -26.133
tors. eta vs tors. theta energy: -57.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -696.816512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.816512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.816512 (E_RNA)
where:
Base-Base interactions energy: -481.302
where: short stacking energy: -208.275
Base-Backbone interact. energy: -0.395
local terms energy: -215.118947
where:
bonds (distance) C4'-P energy: -44.657
bonds (distance) P-C4' energy: -31.117
flat angles C4'-P-C4' energy: -54.048
flat angles P-C4'-P energy: -34.359
tors. eta vs tors. theta energy: -50.938
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: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -647.150990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.150990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.150990 (E_RNA)
where:
Base-Base interactions energy: -428.965
where: short stacking energy: -206.983
Base-Backbone interact. energy: -4.341
local terms energy: -213.845006
where:
bonds (distance) C4'-P energy: -37.991
bonds (distance) P-C4' energy: -42.665
flat angles C4'-P-C4' energy: -50.034
flat angles P-C4'-P energy: -25.108
tors. eta vs tors. theta energy: -58.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -636.798478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.798478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.798478 (E_RNA)
where:
Base-Base interactions energy: -425.725
where: short stacking energy: -184.361
Base-Backbone interact. energy: 0.821
local terms energy: -211.894351
where:
bonds (distance) C4'-P energy: -36.682
bonds (distance) P-C4' energy: -42.603
flat angles C4'-P-C4' energy: -45.684
flat angles P-C4'-P energy: -34.161
tors. eta vs tors. theta energy: -52.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -625.117006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.117006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.117006 (E_RNA)
where:
Base-Base interactions energy: -439.223
where: short stacking energy: -206.001
Base-Backbone interact. energy: -0.329
local terms energy: -185.565423
where:
bonds (distance) C4'-P energy: -28.887
bonds (distance) P-C4' energy: -42.393
flat angles C4'-P-C4' energy: -34.728
flat angles P-C4'-P energy: -25.737
tors. eta vs tors. theta energy: -53.820
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: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -220.265477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.265477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.265477 (E_RNA)
where:
Base-Base interactions energy: -94.941
where: short stacking energy: -77.920
Base-Backbone interact. energy: 0.476
local terms energy: -125.800747
where:
bonds (distance) C4'-P energy: -36.292
bonds (distance) P-C4' energy: -43.651
flat angles C4'-P-C4' energy: -30.051
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -264.328593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.328593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.328593 (E_RNA)
where:
Base-Base interactions energy: -135.421
where: short stacking energy: -73.486
Base-Backbone interact. energy: 0.300
local terms energy: -129.207890
where:
bonds (distance) C4'-P energy: -37.264
bonds (distance) P-C4' energy: -43.979
flat angles C4'-P-C4' energy: -32.568
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -836.024459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.024459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.024459 (E_RNA)
where:
Base-Base interactions energy: -572.008
where: short stacking energy: -243.604
Base-Backbone interact. energy: -0.247
local terms energy: -263.770115
where:
bonds (distance) C4'-P energy: -50.596
bonds (distance) P-C4' energy: -52.867
flat angles C4'-P-C4' energy: -48.496
flat angles P-C4'-P energy: -33.245
tors. eta vs tors. theta energy: -78.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -785.625428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.625428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.625428 (E_RNA)
where:
Base-Base interactions energy: -550.435
where: short stacking energy: -226.188
Base-Backbone interact. energy: -1.336
local terms energy: -233.854317
where:
bonds (distance) C4'-P energy: -42.726
bonds (distance) P-C4' energy: -40.753
flat angles C4'-P-C4' energy: -50.652
flat angles P-C4'-P energy: -34.484
tors. eta vs tors. theta energy: -65.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -765.663382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.663382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.663382 (E_RNA)
where:
Base-Base interactions energy: -538.088
where: short stacking energy: -229.102
Base-Backbone interact. energy: -0.993
local terms energy: -226.582345
where:
bonds (distance) C4'-P energy: -46.612
bonds (distance) P-C4' energy: -42.710
flat angles C4'-P-C4' energy: -48.648
flat angles P-C4'-P energy: -29.388
tors. eta vs tors. theta energy: -59.223
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: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -763.548169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.548169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.548169 (E_RNA)
where:
Base-Base interactions energy: -523.441
where: short stacking energy: -204.437
Base-Backbone interact. energy: -1.919
local terms energy: -238.187928
where:
bonds (distance) C4'-P energy: -41.791
bonds (distance) P-C4' energy: -38.551
flat angles C4'-P-C4' energy: -52.023
flat angles P-C4'-P energy: -38.798
tors. eta vs tors. theta energy: -67.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -688.959005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.959005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.959005 (E_RNA)
where:
Base-Base interactions energy: -483.819
where: short stacking energy: -201.698
Base-Backbone interact. energy: -0.397
local terms energy: -204.743043
where:
bonds (distance) C4'-P energy: -41.506
bonds (distance) P-C4' energy: -47.362
flat angles C4'-P-C4' energy: -49.316
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -49.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -603.713743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.713743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.713743 (E_RNA)
where:
Base-Base interactions energy: -405.187
where: short stacking energy: -159.021
Base-Backbone interact. energy: -1.559
local terms energy: -196.968366
where:
bonds (distance) C4'-P energy: -38.400
bonds (distance) P-C4' energy: -44.268
flat angles C4'-P-C4' energy: -41.620
flat angles P-C4'-P energy: -26.341
tors. eta vs tors. theta energy: -46.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -634.140456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.140456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.140456 (E_RNA)
where:
Base-Base interactions energy: -436.990
where: short stacking energy: -191.518
Base-Backbone interact. energy: -1.562
local terms energy: -195.587620
where:
bonds (distance) C4'-P energy: -38.763
bonds (distance) P-C4' energy: -38.152
flat angles C4'-P-C4' energy: -48.463
flat angles P-C4'-P energy: -23.083
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: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -600.150753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.150753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.150753 (E_RNA)
where:
Base-Base interactions energy: -409.415
where: short stacking energy: -177.276
Base-Backbone interact. energy: -2.021
local terms energy: -188.714575
where:
bonds (distance) C4'-P energy: -36.428
bonds (distance) P-C4' energy: -33.882
flat angles C4'-P-C4' energy: -44.516
flat angles P-C4'-P energy: -25.754
tors. eta vs tors. theta energy: -48.135
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: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -223.703925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.703925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.703925 (E_RNA)
where:
Base-Base interactions energy: -76.133
where: short stacking energy: -70.568
Base-Backbone interact. energy: 2.864
local terms energy: -150.435142
where:
bonds (distance) C4'-P energy: -47.213
bonds (distance) P-C4' energy: -38.454
flat angles C4'-P-C4' energy: -41.150
flat angles P-C4'-P energy: -25.953
tors. eta vs tors. theta energy: 2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -226.245478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.245478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.245478 (E_RNA)
where:
Base-Base interactions energy: -108.801
where: short stacking energy: -76.700
Base-Backbone interact. energy: 1.306
local terms energy: -118.749621
where:
bonds (distance) C4'-P energy: -30.988
bonds (distance) P-C4' energy: -39.304
flat angles C4'-P-C4' energy: -36.318
flat angles P-C4'-P energy: -21.996
tors. eta vs tors. theta energy: 9.855
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: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -853.516813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.516813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.516813 (E_RNA)
where:
Base-Base interactions energy: -597.700
where: short stacking energy: -252.606
Base-Backbone interact. energy: -0.764
local terms energy: -255.052015
where:
bonds (distance) C4'-P energy: -46.736
bonds (distance) P-C4' energy: -40.082
flat angles C4'-P-C4' energy: -55.765
flat angles P-C4'-P energy: -33.500
tors. eta vs tors. theta energy: -78.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -802.033031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.033031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.033031 (E_RNA)
where:
Base-Base interactions energy: -558.297
where: short stacking energy: -239.125
Base-Backbone interact. energy: -0.499
local terms energy: -243.236802
where:
bonds (distance) C4'-P energy: -43.376
bonds (distance) P-C4' energy: -44.566
flat angles C4'-P-C4' energy: -56.155
flat angles P-C4'-P energy: -33.405
tors. eta vs tors. theta energy: -65.735
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: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -778.249141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.249141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.249141 (E_RNA)
where:
Base-Base interactions energy: -537.573
where: short stacking energy: -227.633
Base-Backbone interact. energy: -1.015
local terms energy: -239.661412
where:
bonds (distance) C4'-P energy: -48.740
bonds (distance) P-C4' energy: -43.517
flat angles C4'-P-C4' energy: -48.092
flat angles P-C4'-P energy: -28.908
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: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -757.689047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.689047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.689047 (E_RNA)
where:
Base-Base interactions energy: -532.778
where: short stacking energy: -224.555
Base-Backbone interact. energy: -0.803
local terms energy: -224.107360
where:
bonds (distance) C4'-P energy: -39.420
bonds (distance) P-C4' energy: -46.168
flat angles C4'-P-C4' energy: -47.939
flat angles P-C4'-P energy: -32.836
tors. eta vs tors. theta energy: -57.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -685.681594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.681594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.681594 (E_RNA)
where:
Base-Base interactions energy: -477.089
where: short stacking energy: -202.973
Base-Backbone interact. energy: 0.040
local terms energy: -208.632756
where:
bonds (distance) C4'-P energy: -46.405
bonds (distance) P-C4' energy: -39.559
flat angles C4'-P-C4' energy: -41.099
flat angles P-C4'-P energy: -25.431
tors. eta vs tors. theta energy: -56.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -626.454894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.454894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.454894 (E_RNA)
where:
Base-Base interactions energy: -422.811
where: short stacking energy: -182.493
Base-Backbone interact. energy: -0.741
local terms energy: -202.902715
where:
bonds (distance) C4'-P energy: -44.244
bonds (distance) P-C4' energy: -44.414
flat angles C4'-P-C4' energy: -38.821
flat angles P-C4'-P energy: -25.143
tors. eta vs tors. theta energy: -50.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -608.293604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.293604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.293604 (E_RNA)
where:
Base-Base interactions energy: -409.972
where: short stacking energy: -175.073
Base-Backbone interact. energy: -0.668
local terms energy: -197.653072
where:
bonds (distance) C4'-P energy: -40.708
bonds (distance) P-C4' energy: -46.255
flat angles C4'-P-C4' energy: -45.364
flat angles P-C4'-P energy: -32.529
tors. eta vs tors. theta energy: -32.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -588.744049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.744049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.744049 (E_RNA)
where:
Base-Base interactions energy: -384.626
where: short stacking energy: -178.661
Base-Backbone interact. energy: 0.136
local terms energy: -204.254410
where:
bonds (distance) C4'-P energy: -38.760
bonds (distance) P-C4' energy: -49.790
flat angles C4'-P-C4' energy: -47.492
flat angles P-C4'-P energy: -23.151
tors. eta vs tors. theta energy: -45.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -253.381876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.381876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.381876 (E_RNA)
where:
Base-Base interactions energy: -114.686
where: short stacking energy: -60.863
Base-Backbone interact. energy: -1.104
local terms energy: -137.591583
where:
bonds (distance) C4'-P energy: -38.022
bonds (distance) P-C4' energy: -38.713
flat angles C4'-P-C4' energy: -32.739
flat angles P-C4'-P energy: -26.217
tors. eta vs tors. theta energy: -1.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -220.152400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.152400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.152400 (E_RNA)
where:
Base-Base interactions energy: -83.117
where: short stacking energy: -71.455
Base-Backbone interact. energy: 0.430
local terms energy: -137.465599
where:
bonds (distance) C4'-P energy: -33.561
bonds (distance) P-C4' energy: -41.505
flat angles C4'-P-C4' energy: -37.857
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -11.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -851.678820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.678820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.678820 (E_RNA)
where:
Base-Base interactions energy: -589.085
where: short stacking energy: -262.454
Base-Backbone interact. energy: -0.097
local terms energy: -262.496670
where:
bonds (distance) C4'-P energy: -45.336
bonds (distance) P-C4' energy: -49.931
flat angles C4'-P-C4' energy: -47.599
flat angles P-C4'-P energy: -41.302
tors. eta vs tors. theta energy: -78.329
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: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -810.501972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.501972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.501972 (E_RNA)
where:
Base-Base interactions energy: -567.967
where: short stacking energy: -229.334
Base-Backbone interact. energy: -1.672
local terms energy: -240.862622
where:
bonds (distance) C4'-P energy: -35.768
bonds (distance) P-C4' energy: -44.949
flat angles C4'-P-C4' energy: -51.031
flat angles P-C4'-P energy: -37.580
tors. eta vs tors. theta energy: -71.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -775.764691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.764691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.764691 (E_RNA)
where:
Base-Base interactions energy: -541.647
where: short stacking energy: -216.183
Base-Backbone interact. energy: -1.855
local terms energy: -232.262639
where:
bonds (distance) C4'-P energy: -41.649
bonds (distance) P-C4' energy: -44.524
flat angles C4'-P-C4' energy: -51.779
flat angles P-C4'-P energy: -35.054
tors. eta vs tors. theta energy: -59.257
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: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -750.217589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.217589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.217589 (E_RNA)
where:
Base-Base interactions energy: -516.654
where: short stacking energy: -222.440
Base-Backbone interact. energy: -3.451
local terms energy: -230.113004
where:
bonds (distance) C4'-P energy: -47.261
bonds (distance) P-C4' energy: -47.826
flat angles C4'-P-C4' energy: -50.191
flat angles P-C4'-P energy: -30.767
tors. eta vs tors. theta energy: -54.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -681.360770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.360770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.360770 (E_RNA)
where:
Base-Base interactions energy: -465.516
where: short stacking energy: -207.655
Base-Backbone interact. energy: -0.165
local terms energy: -215.679010
where:
bonds (distance) C4'-P energy: -44.011
bonds (distance) P-C4' energy: -46.559
flat angles C4'-P-C4' energy: -46.394
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -56.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -610.750294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.750294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.750294 (E_RNA)
where:
Base-Base interactions energy: -399.477
where: short stacking energy: -168.298
Base-Backbone interact. energy: 3.733
local terms energy: -215.006352
where:
bonds (distance) C4'-P energy: -41.670
bonds (distance) P-C4' energy: -46.294
flat angles C4'-P-C4' energy: -46.692
flat angles P-C4'-P energy: -39.350
tors. eta vs tors. theta energy: -41.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -608.802011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.802011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.802011 (E_RNA)
where:
Base-Base interactions energy: -399.141
where: short stacking energy: -168.450
Base-Backbone interact. energy: -1.415
local terms energy: -208.245489
where:
bonds (distance) C4'-P energy: -44.792
bonds (distance) P-C4' energy: -43.110
flat angles C4'-P-C4' energy: -47.237
flat angles P-C4'-P energy: -26.731
tors. eta vs tors. theta energy: -46.374
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: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -596.227408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.227408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.227408 (E_RNA)
where:
Base-Base interactions energy: -406.872
where: short stacking energy: -166.658
Base-Backbone interact. energy: -0.362
local terms energy: -188.993709
where:
bonds (distance) C4'-P energy: -43.174
bonds (distance) P-C4' energy: -39.454
flat angles C4'-P-C4' energy: -40.696
flat angles P-C4'-P energy: -21.054
tors. eta vs tors. theta energy: -44.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -321.670869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.670869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.670869 (E_RNA)
where:
Base-Base interactions energy: -171.653
where: short stacking energy: -112.747
Base-Backbone interact. energy: 0.151
local terms energy: -150.168948
where:
bonds (distance) C4'-P energy: -41.166
bonds (distance) P-C4' energy: -32.325
flat angles C4'-P-C4' energy: -39.190
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -22.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -210.258992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.258992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.258992 (E_RNA)
where:
Base-Base interactions energy: -70.525
where: short stacking energy: -65.557
Base-Backbone interact. energy: 0.362
local terms energy: -140.095771
where:
bonds (distance) C4'-P energy: -33.460
bonds (distance) P-C4' energy: -40.062
flat angles C4'-P-C4' energy: -35.814
flat angles P-C4'-P energy: -23.991
tors. eta vs tors. theta energy: -6.769
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: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -851.331001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.331001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.331001 (E_RNA)
where:
Base-Base interactions energy: -603.872
where: short stacking energy: -261.866
Base-Backbone interact. energy: -0.849
local terms energy: -246.610162
where:
bonds (distance) C4'-P energy: -41.206
bonds (distance) P-C4' energy: -43.654
flat angles C4'-P-C4' energy: -51.463
flat angles P-C4'-P energy: -28.377
tors. eta vs tors. theta energy: -81.910
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: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -798.466538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.466538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.466538 (E_RNA)
where:
Base-Base interactions energy: -561.609
where: short stacking energy: -229.752
Base-Backbone interact. energy: 1.577
local terms energy: -238.434478
where:
bonds (distance) C4'-P energy: -43.984
bonds (distance) P-C4' energy: -45.793
flat angles C4'-P-C4' energy: -54.920
flat angles P-C4'-P energy: -31.038
tors. eta vs tors. theta energy: -62.700
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: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -762.884750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.884750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.884750 (E_RNA)
where:
Base-Base interactions energy: -538.217
where: short stacking energy: -213.643
Base-Backbone interact. energy: -0.006
local terms energy: -224.661567
where:
bonds (distance) C4'-P energy: -41.413
bonds (distance) P-C4' energy: -45.090
flat angles C4'-P-C4' energy: -41.136
flat angles P-C4'-P energy: -39.554
tors. eta vs tors. theta energy: -57.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -780.270295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.270295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.270295 (E_RNA)
where:
Base-Base interactions energy: -554.522
where: short stacking energy: -230.996
Base-Backbone interact. energy: -0.672
local terms energy: -225.076047
where:
bonds (distance) C4'-P energy: -33.263
bonds (distance) P-C4' energy: -48.144
flat angles C4'-P-C4' energy: -51.418
flat angles P-C4'-P energy: -26.354
tors. eta vs tors. theta energy: -65.897
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: 5, replica: 9
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -746.280024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.280024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.280024 (E_RNA)
where:
Base-Base interactions energy: -505.607
where: short stacking energy: -209.278
Base-Backbone interact. energy: -2.034
local terms energy: -238.639002
where:
bonds (distance) C4'-P energy: -49.774
bonds (distance) P-C4' energy: -38.823
flat angles C4'-P-C4' energy: -54.240
flat angles P-C4'-P energy: -28.646
tors. eta vs tors. theta energy: -67.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -617.809328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.809328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.809328 (E_RNA)
where:
Base-Base interactions energy: -396.653
where: short stacking energy: -165.100
Base-Backbone interact. energy: -1.251
local terms energy: -219.905412
where:
bonds (distance) C4'-P energy: -41.608
bonds (distance) P-C4' energy: -54.424
flat angles C4'-P-C4' energy: -46.959
flat angles P-C4'-P energy: -32.861
tors. eta vs tors. theta energy: -44.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -632.875892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.875892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.875892 (E_RNA)
where:
Base-Base interactions energy: -436.506
where: short stacking energy: -180.369
Base-Backbone interact. energy: -1.606
local terms energy: -194.763870
where:
bonds (distance) C4'-P energy: -33.727
bonds (distance) P-C4' energy: -50.386
flat angles C4'-P-C4' energy: -48.322
flat angles P-C4'-P energy: -30.921
tors. eta vs tors. theta energy: -31.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -609.069733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.069733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.069733 (E_RNA)
where:
Base-Base interactions energy: -403.398
where: short stacking energy: -169.870
Base-Backbone interact. energy: -1.296
local terms energy: -204.375951
where:
bonds (distance) C4'-P energy: -45.560
bonds (distance) P-C4' energy: -39.993
flat angles C4'-P-C4' energy: -48.652
flat angles P-C4'-P energy: -25.916
tors. eta vs tors. theta energy: -44.255
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: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -291.858153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.858153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.858153 (E_RNA)
where:
Base-Base interactions energy: -146.633
where: short stacking energy: -88.846
Base-Backbone interact. energy: -1.226
local terms energy: -143.999252
where:
bonds (distance) C4'-P energy: -36.720
bonds (distance) P-C4' energy: -35.661
flat angles C4'-P-C4' energy: -38.140
flat angles P-C4'-P energy: -24.023
tors. eta vs tors. theta energy: -9.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -203.784664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.784664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.784664 (E_RNA)
where:
Base-Base interactions energy: -79.007
where: short stacking energy: -69.150
Base-Backbone interact. energy: 4.008
local terms energy: -128.786472
where:
bonds (distance) C4'-P energy: -42.431
bonds (distance) P-C4' energy: -29.842
flat angles C4'-P-C4' energy: -44.117
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: 2.685
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: 1, replica: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -859.231257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.231257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.231257 (E_RNA)
where:
Base-Base interactions energy: -594.312
where: short stacking energy: -253.738
Base-Backbone interact. energy: -1.410
local terms energy: -263.509517
where:
bonds (distance) C4'-P energy: -51.628
bonds (distance) P-C4' energy: -46.380
flat angles C4'-P-C4' energy: -54.986
flat angles P-C4'-P energy: -31.776
tors. eta vs tors. theta energy: -78.740
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: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -821.669073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.669073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.669073 (E_RNA)
where:
Base-Base interactions energy: -569.067
where: short stacking energy: -231.446
Base-Backbone interact. energy: 0.194
local terms energy: -252.796355
where:
bonds (distance) C4'-P energy: -41.183
bonds (distance) P-C4' energy: -53.638
flat angles C4'-P-C4' energy: -51.803
flat angles P-C4'-P energy: -37.022
tors. eta vs tors. theta energy: -69.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -762.551649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.551649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.551649 (E_RNA)
where:
Base-Base interactions energy: -535.112
where: short stacking energy: -220.420
Base-Backbone interact. energy: -0.922
local terms energy: -226.517731
where:
bonds (distance) C4'-P energy: -43.526
bonds (distance) P-C4' energy: -41.765
flat angles C4'-P-C4' energy: -47.580
flat angles P-C4'-P energy: -31.653
tors. eta vs tors. theta energy: -61.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -782.879922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.879922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.879922 (E_RNA)
where:
Base-Base interactions energy: -543.820
where: short stacking energy: -219.235
Base-Backbone interact. energy: 2.055
local terms energy: -241.114888
where:
bonds (distance) C4'-P energy: -44.573
bonds (distance) P-C4' energy: -40.666
flat angles C4'-P-C4' energy: -51.488
flat angles P-C4'-P energy: -35.555
tors. eta vs tors. theta energy: -68.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -716.300068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.300068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.300068 (E_RNA)
where:
Base-Base interactions energy: -488.556
where: short stacking energy: -209.403
Base-Backbone interact. energy: -0.340
local terms energy: -227.404058
where:
bonds (distance) C4'-P energy: -45.353
bonds (distance) P-C4' energy: -46.913
flat angles C4'-P-C4' energy: -50.182
flat angles P-C4'-P energy: -22.945
tors. eta vs tors. theta energy: -62.011
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: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -646.691142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.691142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.691142 (E_RNA)
where:
Base-Base interactions energy: -441.746
where: short stacking energy: -192.643
Base-Backbone interact. energy: -0.631
local terms energy: -204.314955
where:
bonds (distance) C4'-P energy: -35.190
bonds (distance) P-C4' energy: -37.192
flat angles C4'-P-C4' energy: -51.215
flat angles P-C4'-P energy: -28.769
tors. eta vs tors. theta energy: -51.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -578.921199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.921199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.921199 (E_RNA)
where:
Base-Base interactions energy: -388.822
where: short stacking energy: -165.605
Base-Backbone interact. energy: -0.250
local terms energy: -189.849612
where:
bonds (distance) C4'-P energy: -38.329
bonds (distance) P-C4' energy: -44.155
flat angles C4'-P-C4' energy: -38.453
flat angles P-C4'-P energy: -31.376
tors. eta vs tors. theta energy: -37.537
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: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -598.805412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.805412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.805412 (E_RNA)
where:
Base-Base interactions energy: -420.851
where: short stacking energy: -177.087
Base-Backbone interact. energy: -0.772
local terms energy: -177.182399
where:
bonds (distance) C4'-P energy: -30.704
bonds (distance) P-C4' energy: -35.115
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -38.109
tors. eta vs tors. theta energy: -39.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -304.158842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.158842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.158842 (E_RNA)
where:
Base-Base interactions energy: -157.361
where: short stacking energy: -87.221
Base-Backbone interact. energy: 0.159
local terms energy: -146.956772
where:
bonds (distance) C4'-P energy: -47.653
bonds (distance) P-C4' energy: -37.994
flat angles C4'-P-C4' energy: -40.427
flat angles P-C4'-P energy: -18.995
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -204.695520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.695520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.695520 (E_RNA)
where:
Base-Base interactions energy: -64.101
where: short stacking energy: -53.535
Base-Backbone interact. energy: -0.733
local terms energy: -139.861551
where:
bonds (distance) C4'-P energy: -42.017
bonds (distance) P-C4' energy: -36.993
flat angles C4'-P-C4' energy: -41.335
flat angles P-C4'-P energy: -25.533
tors. eta vs tors. theta energy: 6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -857.808777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.808777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.808777 (E_RNA)
where:
Base-Base interactions energy: -603.267
where: short stacking energy: -242.121
Base-Backbone interact. energy: -1.244
local terms energy: -253.298197
where:
bonds (distance) C4'-P energy: -34.586
bonds (distance) P-C4' energy: -53.103
flat angles C4'-P-C4' energy: -53.702
flat angles P-C4'-P energy: -33.562
tors. eta vs tors. theta energy: -78.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -810.821473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.821473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.821473 (E_RNA)
where:
Base-Base interactions energy: -563.876
where: short stacking energy: -236.734
Base-Backbone interact. energy: -1.497
local terms energy: -245.448290
where:
bonds (distance) C4'-P energy: -44.254
bonds (distance) P-C4' energy: -49.515
flat angles C4'-P-C4' energy: -46.393
flat angles P-C4'-P energy: -36.892
tors. eta vs tors. theta energy: -68.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -750.925596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.925596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.925596 (E_RNA)
where:
Base-Base interactions energy: -526.589
where: short stacking energy: -212.397
Base-Backbone interact. energy: -0.874
local terms energy: -223.462408
where:
bonds (distance) C4'-P energy: -41.130
bonds (distance) P-C4' energy: -47.938
flat angles C4'-P-C4' energy: -46.738
flat angles P-C4'-P energy: -32.053
tors. eta vs tors. theta energy: -55.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -774.059395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.059395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.059395 (E_RNA)
where:
Base-Base interactions energy: -535.833
where: short stacking energy: -225.866
Base-Backbone interact. energy: 0.473
local terms energy: -238.699831
where:
bonds (distance) C4'-P energy: -43.264
bonds (distance) P-C4' energy: -49.058
flat angles C4'-P-C4' energy: -50.105
flat angles P-C4'-P energy: -28.967
tors. eta vs tors. theta energy: -67.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -676.714542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.714542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.714542 (E_RNA)
where:
Base-Base interactions energy: -451.341
where: short stacking energy: -193.071
Base-Backbone interact. energy: -0.431
local terms energy: -224.942364
where:
bonds (distance) C4'-P energy: -45.135
bonds (distance) P-C4' energy: -49.291
flat angles C4'-P-C4' energy: -40.086
flat angles P-C4'-P energy: -26.038
tors. eta vs tors. theta energy: -64.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -652.921195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.921195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.921195 (E_RNA)
where:
Base-Base interactions energy: -453.162
where: short stacking energy: -211.972
Base-Backbone interact. energy: -0.732
local terms energy: -199.027395
where:
bonds (distance) C4'-P energy: -42.182
bonds (distance) P-C4' energy: -25.278
flat angles C4'-P-C4' energy: -44.869
flat angles P-C4'-P energy: -29.966
tors. eta vs tors. theta energy: -56.732
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: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -603.514511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.514511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.514511 (E_RNA)
where:
Base-Base interactions energy: -419.227
where: short stacking energy: -156.221
Base-Backbone interact. energy: -1.150
local terms energy: -183.137760
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -38.738
flat angles C4'-P-C4' energy: -46.138
flat angles P-C4'-P energy: -30.631
tors. eta vs tors. theta energy: -39.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -546.804698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.804698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.804698 (E_RNA)
where:
Base-Base interactions energy: -383.478
where: short stacking energy: -158.976
Base-Backbone interact. energy: 2.225
local terms energy: -165.551482
where:
bonds (distance) C4'-P energy: -34.198
bonds (distance) P-C4' energy: -31.802
flat angles C4'-P-C4' energy: -43.909
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: -36.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -323.020300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.020300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.020300 (E_RNA)
where:
Base-Base interactions energy: -174.104
where: short stacking energy: -86.494
Base-Backbone interact. energy: -0.932
local terms energy: -147.983658
where:
bonds (distance) C4'-P energy: -36.248
bonds (distance) P-C4' energy: -50.117
flat angles C4'-P-C4' energy: -33.180
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: -9.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -254.778294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.778294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.778294 (E_RNA)
where:
Base-Base interactions energy: -114.945
where: short stacking energy: -75.115
Base-Backbone interact. energy: 1.330
local terms energy: -141.163232
where:
bonds (distance) C4'-P energy: -38.258
bonds (distance) P-C4' energy: -43.263
flat angles C4'-P-C4' energy: -34.624
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: -1.685
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: 1, replica: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -858.802657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.802657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.802657 (E_RNA)
where:
Base-Base interactions energy: -592.870
where: short stacking energy: -250.464
Base-Backbone interact. energy: -0.651
local terms energy: -265.281708
where:
bonds (distance) C4'-P energy: -49.405
bonds (distance) P-C4' energy: -46.831
flat angles C4'-P-C4' energy: -54.184
flat angles P-C4'-P energy: -35.881
tors. eta vs tors. theta energy: -78.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -791.905414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.905414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.905414 (E_RNA)
where:
Base-Base interactions energy: -549.129
where: short stacking energy: -227.709
Base-Backbone interact. energy: -1.018
local terms energy: -241.758792
where:
bonds (distance) C4'-P energy: -49.397
bonds (distance) P-C4' energy: -41.488
flat angles C4'-P-C4' energy: -48.427
flat angles P-C4'-P energy: -38.582
tors. eta vs tors. theta energy: -63.865
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: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -776.764667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.764667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.764667 (E_RNA)
where:
Base-Base interactions energy: -547.249
where: short stacking energy: -239.983
Base-Backbone interact. energy: -0.559
local terms energy: -228.956936
where:
bonds (distance) C4'-P energy: -41.874
bonds (distance) P-C4' energy: -39.357
flat angles C4'-P-C4' energy: -51.196
flat angles P-C4'-P energy: -34.027
tors. eta vs tors. theta energy: -62.503
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: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -744.974564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.974564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.974564 (E_RNA)
where:
Base-Base interactions energy: -529.497
where: short stacking energy: -214.187
Base-Backbone interact. energy: -0.514
local terms energy: -214.962627
where:
bonds (distance) C4'-P energy: -39.149
bonds (distance) P-C4' energy: -37.956
flat angles C4'-P-C4' energy: -49.918
flat angles P-C4'-P energy: -23.465
tors. eta vs tors. theta energy: -64.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -667.985452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.985452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.985452 (E_RNA)
where:
Base-Base interactions energy: -461.476
where: short stacking energy: -197.224
Base-Backbone interact. energy: -1.421
local terms energy: -205.088442
where:
bonds (distance) C4'-P energy: -42.096
bonds (distance) P-C4' energy: -42.810
flat angles C4'-P-C4' energy: -46.008
flat angles P-C4'-P energy: -24.291
tors. eta vs tors. theta energy: -49.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -660.367946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.367946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.367946 (E_RNA)
where:
Base-Base interactions energy: -452.486
where: short stacking energy: -200.580
Base-Backbone interact. energy: -0.598
local terms energy: -207.284829
where:
bonds (distance) C4'-P energy: -36.977
bonds (distance) P-C4' energy: -43.757
flat angles C4'-P-C4' energy: -45.197
flat angles P-C4'-P energy: -28.146
tors. eta vs tors. theta energy: -53.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -589.563976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.563976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.563976 (E_RNA)
where:
Base-Base interactions energy: -386.155
where: short stacking energy: -155.308
Base-Backbone interact. energy: 1.222
local terms energy: -204.630469
where:
bonds (distance) C4'-P energy: -38.790
bonds (distance) P-C4' energy: -39.325
flat angles C4'-P-C4' energy: -54.106
flat angles P-C4'-P energy: -33.350
tors. eta vs tors. theta energy: -39.060
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: 8, replica: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -549.651344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.651344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.651344 (E_RNA)
where:
Base-Base interactions energy: -359.174
where: short stacking energy: -162.337
Base-Backbone interact. energy: -1.001
local terms energy: -189.476071
where:
bonds (distance) C4'-P energy: -40.178
bonds (distance) P-C4' energy: -36.408
flat angles C4'-P-C4' energy: -44.404
flat angles P-C4'-P energy: -28.525
tors. eta vs tors. theta energy: -39.961
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: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -344.141312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.141312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.141312 (E_RNA)
where:
Base-Base interactions energy: -184.435
where: short stacking energy: -105.845
Base-Backbone interact. energy: 1.112
local terms energy: -160.818004
where:
bonds (distance) C4'-P energy: -40.733
bonds (distance) P-C4' energy: -43.301
flat angles C4'-P-C4' energy: -37.865
flat angles P-C4'-P energy: -18.496
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -268.627473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.627473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.627473 (E_RNA)
where:
Base-Base interactions energy: -127.632
where: short stacking energy: -88.140
Base-Backbone interact. energy: -0.191
local terms energy: -140.803981
where:
bonds (distance) C4'-P energy: -40.099
bonds (distance) P-C4' energy: -34.562
flat angles C4'-P-C4' energy: -39.780
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -9.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -841.653841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.653841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.653841 (E_RNA)
where:
Base-Base interactions energy: -592.536
where: short stacking energy: -241.311
Base-Backbone interact. energy: -0.556
local terms energy: -248.561618
where:
bonds (distance) C4'-P energy: -44.303
bonds (distance) P-C4' energy: -39.297
flat angles C4'-P-C4' energy: -52.335
flat angles P-C4'-P energy: -38.745
tors. eta vs tors. theta energy: -73.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -802.903038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.903038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.903038 (E_RNA)
where:
Base-Base interactions energy: -555.036
where: short stacking energy: -235.054
Base-Backbone interact. energy: -1.078
local terms energy: -246.788631
where:
bonds (distance) C4'-P energy: -42.196
bonds (distance) P-C4' energy: -48.148
flat angles C4'-P-C4' energy: -57.229
flat angles P-C4'-P energy: -31.117
tors. eta vs tors. theta energy: -68.099
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: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -781.684786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.684786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.684786 (E_RNA)
where:
Base-Base interactions energy: -538.641
where: short stacking energy: -226.099
Base-Backbone interact. energy: -2.666
local terms energy: -240.378004
where:
bonds (distance) C4'-P energy: -33.644
bonds (distance) P-C4' energy: -48.329
flat angles C4'-P-C4' energy: -54.762
flat angles P-C4'-P energy: -37.682
tors. eta vs tors. theta energy: -65.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -762.197885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.197885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.197885 (E_RNA)
where:
Base-Base interactions energy: -524.153
where: short stacking energy: -227.607
Base-Backbone interact. energy: -3.321
local terms energy: -234.723239
where:
bonds (distance) C4'-P energy: -34.763
bonds (distance) P-C4' energy: -51.760
flat angles C4'-P-C4' energy: -48.245
flat angles P-C4'-P energy: -38.913
tors. eta vs tors. theta energy: -61.042
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: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -674.895535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.895535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.895535 (E_RNA)
where:
Base-Base interactions energy: -472.572
where: short stacking energy: -199.298
Base-Backbone interact. energy: -0.759
local terms energy: -201.565089
where:
bonds (distance) C4'-P energy: -39.094
bonds (distance) P-C4' energy: -39.098
flat angles C4'-P-C4' energy: -47.051
flat angles P-C4'-P energy: -26.299
tors. eta vs tors. theta energy: -50.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -648.734636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.734636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.734636 (E_RNA)
where:
Base-Base interactions energy: -445.425
where: short stacking energy: -199.296
Base-Backbone interact. energy: -1.905
local terms energy: -201.405139
where:
bonds (distance) C4'-P energy: -40.983
bonds (distance) P-C4' energy: -36.683
flat angles C4'-P-C4' energy: -45.931
flat angles P-C4'-P energy: -29.400
tors. eta vs tors. theta energy: -48.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -572.295998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.295998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.295998 (E_RNA)
where:
Base-Base interactions energy: -371.954
where: short stacking energy: -163.201
Base-Backbone interact. energy: -0.759
local terms energy: -199.583130
where:
bonds (distance) C4'-P energy: -40.619
bonds (distance) P-C4' energy: -49.846
flat angles C4'-P-C4' energy: -41.461
flat angles P-C4'-P energy: -26.608
tors. eta vs tors. theta energy: -41.049
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: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -568.343773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.343773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.343773 (E_RNA)
where:
Base-Base interactions energy: -380.184
where: short stacking energy: -163.053
Base-Backbone interact. energy: 0.914
local terms energy: -189.074168
where:
bonds (distance) C4'-P energy: -38.002
bonds (distance) P-C4' energy: -42.504
flat angles C4'-P-C4' energy: -42.368
flat angles P-C4'-P energy: -23.549
tors. eta vs tors. theta energy: -42.651
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: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -290.887198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.887198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.887198 (E_RNA)
where:
Base-Base interactions energy: -154.967
where: short stacking energy: -92.070
Base-Backbone interact. energy: -1.481
local terms energy: -134.439431
where:
bonds (distance) C4'-P energy: -34.057
bonds (distance) P-C4' energy: -40.168
flat angles C4'-P-C4' energy: -42.671
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -3.492
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: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -237.616764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.616764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.616764 (E_RNA)
where:
Base-Base interactions energy: -120.162
where: short stacking energy: -75.712
Base-Backbone interact. energy: -0.834
local terms energy: -116.621029
where:
bonds (distance) C4'-P energy: -27.727
bonds (distance) P-C4' energy: -43.716
flat angles C4'-P-C4' energy: -35.906
flat angles P-C4'-P energy: -5.424
tors. eta vs tors. theta energy: -3.848
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: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -845.886597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.886597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.886597 (E_RNA)
where:
Base-Base interactions energy: -594.173
where: short stacking energy: -249.760
Base-Backbone interact. energy: -2.304
local terms energy: -249.409590
where:
bonds (distance) C4'-P energy: -46.208
bonds (distance) P-C4' energy: -42.622
flat angles C4'-P-C4' energy: -51.573
flat angles P-C4'-P energy: -34.060
tors. eta vs tors. theta energy: -74.946
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: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -793.764425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.764425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.764425 (E_RNA)
where:
Base-Base interactions energy: -544.083
where: short stacking energy: -223.788
Base-Backbone interact. energy: 0.466
local terms energy: -250.147894
where:
bonds (distance) C4'-P energy: -49.527
bonds (distance) P-C4' energy: -42.248
flat angles C4'-P-C4' energy: -57.295
flat angles P-C4'-P energy: -35.352
tors. eta vs tors. theta energy: -65.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -772.156876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.156876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.156876 (E_RNA)
where:
Base-Base interactions energy: -541.406
where: short stacking energy: -238.544
Base-Backbone interact. energy: -0.724
local terms energy: -230.026855
where:
bonds (distance) C4'-P energy: -41.077
bonds (distance) P-C4' energy: -43.643
flat angles C4'-P-C4' energy: -46.009
flat angles P-C4'-P energy: -33.120
tors. eta vs tors. theta energy: -66.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -741.963404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.963404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.963404 (E_RNA)
where:
Base-Base interactions energy: -525.229
where: short stacking energy: -205.624
Base-Backbone interact. energy: -0.161
local terms energy: -216.573424
where:
bonds (distance) C4'-P energy: -40.990
bonds (distance) P-C4' energy: -44.427
flat angles C4'-P-C4' energy: -45.891
flat angles P-C4'-P energy: -27.423
tors. eta vs tors. theta energy: -57.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -673.047016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.047016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.047016 (E_RNA)
where:
Base-Base interactions energy: -451.218
where: short stacking energy: -199.018
Base-Backbone interact. energy: 0.809
local terms energy: -222.638521
where:
bonds (distance) C4'-P energy: -36.110
bonds (distance) P-C4' energy: -49.916
flat angles C4'-P-C4' energy: -40.892
flat angles P-C4'-P energy: -33.800
tors. eta vs tors. theta energy: -61.920
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: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -654.857587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.857587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.857587 (E_RNA)
where:
Base-Base interactions energy: -445.499
where: short stacking energy: -201.752
Base-Backbone interact. energy: 4.195
local terms energy: -213.553438
where:
bonds (distance) C4'-P energy: -37.702
bonds (distance) P-C4' energy: -44.744
flat angles C4'-P-C4' energy: -52.614
flat angles P-C4'-P energy: -23.590
tors. eta vs tors. theta energy: -54.904
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: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -562.687365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.687365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.687365 (E_RNA)
where:
Base-Base interactions energy: -361.770
where: short stacking energy: -158.945
Base-Backbone interact. energy: -0.240
local terms energy: -200.677681
where:
bonds (distance) C4'-P energy: -46.378
bonds (distance) P-C4' energy: -35.817
flat angles C4'-P-C4' energy: -45.122
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: -47.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -556.962483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.962483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.962483 (E_RNA)
where:
Base-Base interactions energy: -375.390
where: short stacking energy: -160.665
Base-Backbone interact. energy: 2.615
local terms energy: -184.186591
where:
bonds (distance) C4'-P energy: -44.387
bonds (distance) P-C4' energy: -35.811
flat angles C4'-P-C4' energy: -41.416
flat angles P-C4'-P energy: -16.810
tors. eta vs tors. theta energy: -45.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -270.764901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.764901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.764901 (E_RNA)
where:
Base-Base interactions energy: -128.914
where: short stacking energy: -81.741
Base-Backbone interact. energy: -0.656
local terms energy: -141.194788
where:
bonds (distance) C4'-P energy: -34.851
bonds (distance) P-C4' energy: -39.004
flat angles C4'-P-C4' energy: -35.464
flat angles P-C4'-P energy: -27.725
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -218.416592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.416592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.416592 (E_RNA)
where:
Base-Base interactions energy: -103.126
where: short stacking energy: -93.559
Base-Backbone interact. energy: -0.891
local terms energy: -114.399390
where:
bonds (distance) C4'-P energy: -26.068
bonds (distance) P-C4' energy: -36.726
flat angles C4'-P-C4' energy: -27.576
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -6.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -850.497884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.497884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.497884 (E_RNA)
where:
Base-Base interactions energy: -580.719
where: short stacking energy: -259.538
Base-Backbone interact. energy: -0.541
local terms energy: -269.238521
where:
bonds (distance) C4'-P energy: -48.445
bonds (distance) P-C4' energy: -52.067
flat angles C4'-P-C4' energy: -52.731
flat angles P-C4'-P energy: -39.664
tors. eta vs tors. theta energy: -76.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -814.994865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.994865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.994865 (E_RNA)
where:
Base-Base interactions energy: -568.138
where: short stacking energy: -243.559
Base-Backbone interact. energy: 2.014
local terms energy: -248.870592
where:
bonds (distance) C4'-P energy: -38.122
bonds (distance) P-C4' energy: -44.213
flat angles C4'-P-C4' energy: -54.147
flat angles P-C4'-P energy: -41.062
tors. eta vs tors. theta energy: -71.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -784.697348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.697348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.697348 (E_RNA)
where:
Base-Base interactions energy: -552.244
where: short stacking energy: -232.624
Base-Backbone interact. energy: -1.174
local terms energy: -231.279611
where:
bonds (distance) C4'-P energy: -46.416
bonds (distance) P-C4' energy: -36.754
flat angles C4'-P-C4' energy: -52.346
flat angles P-C4'-P energy: -37.480
tors. eta vs tors. theta energy: -58.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -733.297521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.297521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.297521 (E_RNA)
where:
Base-Base interactions energy: -513.866
where: short stacking energy: -202.536
Base-Backbone interact. energy: -2.812
local terms energy: -216.619582
where:
bonds (distance) C4'-P energy: -39.788
bonds (distance) P-C4' energy: -46.372
flat angles C4'-P-C4' energy: -48.235
flat angles P-C4'-P energy: -30.790
tors. eta vs tors. theta energy: -51.435
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: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -708.216203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.216203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.216203 (E_RNA)
where:
Base-Base interactions energy: -469.418
where: short stacking energy: -205.682
Base-Backbone interact. energy: -0.257
local terms energy: -238.541096
where:
bonds (distance) C4'-P energy: -47.745
bonds (distance) P-C4' energy: -42.323
flat angles C4'-P-C4' energy: -53.651
flat angles P-C4'-P energy: -36.293
tors. eta vs tors. theta energy: -58.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -629.367874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.367874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.367874 (E_RNA)
where:
Base-Base interactions energy: -447.455
where: short stacking energy: -200.579
Base-Backbone interact. energy: -1.208
local terms energy: -180.705013
where:
bonds (distance) C4'-P energy: -29.206
bonds (distance) P-C4' energy: -45.787
flat angles C4'-P-C4' energy: -45.508
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -54.730
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: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -575.887462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.887462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.887462 (E_RNA)
where:
Base-Base interactions energy: -389.882
where: short stacking energy: -166.747
Base-Backbone interact. energy: 0.062
local terms energy: -186.067848
where:
bonds (distance) C4'-P energy: -41.689
bonds (distance) P-C4' energy: -40.261
flat angles C4'-P-C4' energy: -31.953
flat angles P-C4'-P energy: -25.328
tors. eta vs tors. theta energy: -46.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -568.400434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.400434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.400434 (E_RNA)
where:
Base-Base interactions energy: -390.342
where: short stacking energy: -172.125
Base-Backbone interact. energy: -1.528
local terms energy: -176.530348
where:
bonds (distance) C4'-P energy: -35.433
bonds (distance) P-C4' energy: -36.221
flat angles C4'-P-C4' energy: -42.811
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -44.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -301.819254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.819254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.819254 (E_RNA)
where:
Base-Base interactions energy: -154.601
where: short stacking energy: -94.651
Base-Backbone interact. energy: -0.893
local terms energy: -146.325471
where:
bonds (distance) C4'-P energy: -34.776
bonds (distance) P-C4' energy: -39.193
flat angles C4'-P-C4' energy: -36.770
flat angles P-C4'-P energy: -23.496
tors. eta vs tors. theta energy: -12.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -212.329683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.329683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.329683 (E_RNA)
where:
Base-Base interactions energy: -79.249
where: short stacking energy: -63.717
Base-Backbone interact. energy: -1.138
local terms energy: -131.942779
where:
bonds (distance) C4'-P energy: -34.501
bonds (distance) P-C4' energy: -41.552
flat angles C4'-P-C4' energy: -25.801
flat angles P-C4'-P energy: -25.086
tors. eta vs tors. theta energy: -5.002
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: 5
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -850.992572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.992572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.992572 (E_RNA)
where:
Base-Base interactions energy: -588.007
where: short stacking energy: -261.377
Base-Backbone interact. energy: -2.121
local terms energy: -260.864238
where:
bonds (distance) C4'-P energy: -34.150
bonds (distance) P-C4' energy: -47.999
flat angles C4'-P-C4' energy: -52.992
flat angles P-C4'-P energy: -42.464
tors. eta vs tors. theta energy: -83.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -791.631126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.631126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.631126 (E_RNA)
where:
Base-Base interactions energy: -556.687
where: short stacking energy: -236.370
Base-Backbone interact. energy: 0.040
local terms energy: -234.984292
where:
bonds (distance) C4'-P energy: -49.174
bonds (distance) P-C4' energy: -48.151
flat angles C4'-P-C4' energy: -44.612
flat angles P-C4'-P energy: -34.074
tors. eta vs tors. theta energy: -58.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -793.329797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.329797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.329797 (E_RNA)
where:
Base-Base interactions energy: -554.606
where: short stacking energy: -227.462
Base-Backbone interact. energy: -1.192
local terms energy: -237.531840
where:
bonds (distance) C4'-P energy: -50.531
bonds (distance) P-C4' energy: -41.145
flat angles C4'-P-C4' energy: -48.241
flat angles P-C4'-P energy: -32.565
tors. eta vs tors. theta energy: -65.049
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: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -720.691212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.691212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.691212 (E_RNA)
where:
Base-Base interactions energy: -504.589
where: short stacking energy: -229.083
Base-Backbone interact. energy: 0.297
local terms energy: -216.398860
where:
bonds (distance) C4'-P energy: -46.377
bonds (distance) P-C4' energy: -32.408
flat angles C4'-P-C4' energy: -45.502
flat angles P-C4'-P energy: -28.794
tors. eta vs tors. theta energy: -63.318
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: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -735.555439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.555439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.555439 (E_RNA)
where:
Base-Base interactions energy: -529.995
where: short stacking energy: -204.145
Base-Backbone interact. energy: -1.119
local terms energy: -204.441802
where:
bonds (distance) C4'-P energy: -29.393
bonds (distance) P-C4' energy: -47.623
flat angles C4'-P-C4' energy: -45.196
flat angles P-C4'-P energy: -30.896
tors. eta vs tors. theta energy: -51.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -597.545777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.545777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.545777 (E_RNA)
where:
Base-Base interactions energy: -389.222
where: short stacking energy: -181.495
Base-Backbone interact. energy: 1.876
local terms energy: -210.200503
where:
bonds (distance) C4'-P energy: -41.046
bonds (distance) P-C4' energy: -38.704
flat angles C4'-P-C4' energy: -53.113
flat angles P-C4'-P energy: -28.593
tors. eta vs tors. theta energy: -48.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -583.827172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.827172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.827172 (E_RNA)
where:
Base-Base interactions energy: -397.680
where: short stacking energy: -181.115
Base-Backbone interact. energy: -0.041
local terms energy: -186.105783
where:
bonds (distance) C4'-P energy: -35.621
bonds (distance) P-C4' energy: -42.689
flat angles C4'-P-C4' energy: -42.478
flat angles P-C4'-P energy: -24.970
tors. eta vs tors. theta energy: -40.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -563.917362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.917362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.917362 (E_RNA)
where:
Base-Base interactions energy: -375.490
where: short stacking energy: -153.560
Base-Backbone interact. energy: -1.634
local terms energy: -186.793245
where:
bonds (distance) C4'-P energy: -32.521
bonds (distance) P-C4' energy: -37.230
flat angles C4'-P-C4' energy: -44.301
flat angles P-C4'-P energy: -36.213
tors. eta vs tors. theta energy: -36.528
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: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -344.057743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.057743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.057743 (E_RNA)
where:
Base-Base interactions energy: -213.278
where: short stacking energy: -110.808
Base-Backbone interact. energy: 1.864
local terms energy: -132.643251
where:
bonds (distance) C4'-P energy: -24.589
bonds (distance) P-C4' energy: -36.110
flat angles C4'-P-C4' energy: -32.405
flat angles P-C4'-P energy: -26.875
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: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -210.036742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.036742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.036742 (E_RNA)
where:
Base-Base interactions energy: -91.374
where: short stacking energy: -86.679
Base-Backbone interact. energy: 0.489
local terms energy: -119.151467
where:
bonds (distance) C4'-P energy: -35.130
bonds (distance) P-C4' energy: -38.603
flat angles C4'-P-C4' energy: -29.694
flat angles P-C4'-P energy: -20.232
tors. eta vs tors. theta energy: 4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -868.142969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.142969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.142969 (E_RNA)
where:
Base-Base interactions energy: -605.336
where: short stacking energy: -254.299
Base-Backbone interact. energy: -0.706
local terms energy: -262.101022
where:
bonds (distance) C4'-P energy: -45.726
bonds (distance) P-C4' energy: -50.185
flat angles C4'-P-C4' energy: -54.357
flat angles P-C4'-P energy: -33.157
tors. eta vs tors. theta energy: -78.677
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: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -806.766772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.766772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.766772 (E_RNA)
where:
Base-Base interactions energy: -564.237
where: short stacking energy: -240.664
Base-Backbone interact. energy: -1.831
local terms energy: -240.699220
where:
bonds (distance) C4'-P energy: -48.350
bonds (distance) P-C4' energy: -44.994
flat angles C4'-P-C4' energy: -50.610
flat angles P-C4'-P energy: -29.724
tors. eta vs tors. theta energy: -67.020
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: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -796.389254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.389254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.389254 (E_RNA)
where:
Base-Base interactions energy: -559.070
where: short stacking energy: -237.516
Base-Backbone interact. energy: -1.900
local terms energy: -235.419079
where:
bonds (distance) C4'-P energy: -50.445
bonds (distance) P-C4' energy: -39.553
flat angles C4'-P-C4' energy: -45.844
flat angles P-C4'-P energy: -37.347
tors. eta vs tors. theta energy: -62.230
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: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -748.680731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.680731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.680731 (E_RNA)
where:
Base-Base interactions energy: -495.067
where: short stacking energy: -218.993
Base-Backbone interact. energy: -0.444
local terms energy: -253.169850
where:
bonds (distance) C4'-P energy: -50.694
bonds (distance) P-C4' energy: -44.383
flat angles C4'-P-C4' energy: -57.497
flat angles P-C4'-P energy: -31.835
tors. eta vs tors. theta energy: -68.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -738.319566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.319566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.319566 (E_RNA)
where:
Base-Base interactions energy: -527.240
where: short stacking energy: -216.649
Base-Backbone interact. energy: -2.046
local terms energy: -209.034276
where:
bonds (distance) C4'-P energy: -32.820
bonds (distance) P-C4' energy: -42.009
flat angles C4'-P-C4' energy: -47.040
flat angles P-C4'-P energy: -25.199
tors. eta vs tors. theta energy: -61.966
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: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -604.726598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.726598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.726598 (E_RNA)
where:
Base-Base interactions energy: -384.837
where: short stacking energy: -185.341
Base-Backbone interact. energy: -0.371
local terms energy: -219.518967
where:
bonds (distance) C4'-P energy: -40.876
bonds (distance) P-C4' energy: -51.009
flat angles C4'-P-C4' energy: -45.339
flat angles P-C4'-P energy: -31.953
tors. eta vs tors. theta energy: -50.342
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: 122
Temperature: 1.200000
Total energy: -588.740494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.740494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.740494 (E_RNA)
where:
Base-Base interactions energy: -391.526
where: short stacking energy: -166.891
Base-Backbone interact. energy: -0.397
local terms energy: -196.818147
where:
bonds (distance) C4'-P energy: -41.197
bonds (distance) P-C4' energy: -34.375
flat angles C4'-P-C4' energy: -44.021
flat angles P-C4'-P energy: -38.622
tors. eta vs tors. theta energy: -38.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -584.011751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.011751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.011751 (E_RNA)
where:
Base-Base interactions energy: -394.798
where: short stacking energy: -161.116
Base-Backbone interact. energy: -0.779
local terms energy: -188.434755
where:
bonds (distance) C4'-P energy: -42.574
bonds (distance) P-C4' energy: -40.323
flat angles C4'-P-C4' energy: -38.861
flat angles P-C4'-P energy: -24.033
tors. eta vs tors. theta energy: -42.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -353.705948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.705948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.705948 (E_RNA)
where:
Base-Base interactions energy: -211.162
where: short stacking energy: -102.355
Base-Backbone interact. energy: 3.607
local terms energy: -146.151009
where:
bonds (distance) C4'-P energy: -38.608
bonds (distance) P-C4' energy: -38.216
flat angles C4'-P-C4' energy: -34.955
flat angles P-C4'-P energy: -26.411
tors. eta vs tors. theta energy: -7.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -206.018753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.018753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.018753 (E_RNA)
where:
Base-Base interactions energy: -88.922
where: short stacking energy: -75.102
Base-Backbone interact. energy: -0.825
local terms energy: -116.271758
where:
bonds (distance) C4'-P energy: -27.281
bonds (distance) P-C4' energy: -42.395
flat angles C4'-P-C4' energy: -32.217
flat angles P-C4'-P energy: -22.853
tors. eta vs tors. theta energy: 8.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -858.812037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.812037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.812037 (E_RNA)
where:
Base-Base interactions energy: -595.490
where: short stacking energy: -251.427
Base-Backbone interact. energy: -0.690
local terms energy: -262.631347
where:
bonds (distance) C4'-P energy: -49.042
bonds (distance) P-C4' energy: -46.395
flat angles C4'-P-C4' energy: -53.324
flat angles P-C4'-P energy: -36.118
tors. eta vs tors. theta energy: -77.751
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: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -803.182892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.182892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.182892 (E_RNA)
where:
Base-Base interactions energy: -569.507
where: short stacking energy: -243.876
Base-Backbone interact. energy: -0.859
local terms energy: -232.816862
where:
bonds (distance) C4'-P energy: -39.883
bonds (distance) P-C4' energy: -43.330
flat angles C4'-P-C4' energy: -53.580
flat angles P-C4'-P energy: -29.385
tors. eta vs tors. theta energy: -66.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -785.893155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.893155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.893155 (E_RNA)
where:
Base-Base interactions energy: -552.825
where: short stacking energy: -218.975
Base-Backbone interact. energy: -2.058
local terms energy: -231.009282
where:
bonds (distance) C4'-P energy: -37.201
bonds (distance) P-C4' energy: -40.752
flat angles C4'-P-C4' energy: -53.324
flat angles P-C4'-P energy: -33.566
tors. eta vs tors. theta energy: -66.167
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: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -738.955376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.955376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.955376 (E_RNA)
where:
Base-Base interactions energy: -523.607
where: short stacking energy: -212.006
Base-Backbone interact. energy: -3.136
local terms energy: -212.213213
where:
bonds (distance) C4'-P energy: -44.969
bonds (distance) P-C4' energy: -35.300
flat angles C4'-P-C4' energy: -44.243
flat angles P-C4'-P energy: -34.681
tors. eta vs tors. theta energy: -53.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -713.554184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.554184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.554184 (E_RNA)
where:
Base-Base interactions energy: -490.330
where: short stacking energy: -214.129
Base-Backbone interact. energy: -0.272
local terms energy: -222.952530
where:
bonds (distance) C4'-P energy: -41.307
bonds (distance) P-C4' energy: -47.037
flat angles C4'-P-C4' energy: -50.184
flat angles P-C4'-P energy: -26.117
tors. eta vs tors. theta energy: -58.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -612.279566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.279566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.279566 (E_RNA)
where:
Base-Base interactions energy: -413.774
where: short stacking energy: -184.111
Base-Backbone interact. energy: -0.111
local terms energy: -198.394990
where:
bonds (distance) C4'-P energy: -37.443
bonds (distance) P-C4' energy: -41.125
flat angles C4'-P-C4' energy: -51.812
flat angles P-C4'-P energy: -20.908
tors. eta vs tors. theta energy: -47.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -554.379274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.379274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.379274 (E_RNA)
where:
Base-Base interactions energy: -381.850
where: short stacking energy: -169.097
Base-Backbone interact. energy: -0.809
local terms energy: -171.720282
where:
bonds (distance) C4'-P energy: -24.277
bonds (distance) P-C4' energy: -42.877
flat angles C4'-P-C4' energy: -39.334
flat angles P-C4'-P energy: -32.418
tors. eta vs tors. theta energy: -32.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -605.739972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.739972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.739972 (E_RNA)
where:
Base-Base interactions energy: -403.643
where: short stacking energy: -176.015
Base-Backbone interact. energy: -0.685
local terms energy: -201.411443
where:
bonds (distance) C4'-P energy: -37.440
bonds (distance) P-C4' energy: -42.994
flat angles C4'-P-C4' energy: -49.519
flat angles P-C4'-P energy: -26.464
tors. eta vs tors. theta energy: -44.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -330.313468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.313468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.313468 (E_RNA)
where:
Base-Base interactions energy: -175.855
where: short stacking energy: -98.097
Base-Backbone interact. energy: -0.290
local terms energy: -154.168646
where:
bonds (distance) C4'-P energy: -40.009
bonds (distance) P-C4' energy: -37.011
flat angles C4'-P-C4' energy: -41.993
flat angles P-C4'-P energy: -21.780
tors. eta vs tors. theta energy: -13.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -200.853349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.853349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.853349 (E_RNA)
where:
Base-Base interactions energy: -74.023
where: short stacking energy: -59.463
Base-Backbone interact. energy: -1.500
local terms energy: -125.330199
where:
bonds (distance) C4'-P energy: -39.012
bonds (distance) P-C4' energy: -26.855
flat angles C4'-P-C4' energy: -37.688
flat angles P-C4'-P energy: -27.502
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: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -842.342096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.342096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.342096 (E_RNA)
where:
Base-Base interactions energy: -595.615
where: short stacking energy: -258.194
Base-Backbone interact. energy: -0.342
local terms energy: -246.385563
where:
bonds (distance) C4'-P energy: -45.164
bonds (distance) P-C4' energy: -42.065
flat angles C4'-P-C4' energy: -52.073
flat angles P-C4'-P energy: -33.592
tors. eta vs tors. theta energy: -73.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -822.545664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.545664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.545664 (E_RNA)
where:
Base-Base interactions energy: -568.351
where: short stacking energy: -242.346
Base-Backbone interact. energy: 0.286
local terms energy: -254.480859
where:
bonds (distance) C4'-P energy: -51.886
bonds (distance) P-C4' energy: -50.303
flat angles C4'-P-C4' energy: -49.879
flat angles P-C4'-P energy: -35.141
tors. eta vs tors. theta energy: -67.272
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: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -791.682996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.682996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.682996 (E_RNA)
where:
Base-Base interactions energy: -552.415
where: short stacking energy: -231.644
Base-Backbone interact. energy: -1.690
local terms energy: -237.578410
where:
bonds (distance) C4'-P energy: -42.416
bonds (distance) P-C4' energy: -50.230
flat angles C4'-P-C4' energy: -47.895
flat angles P-C4'-P energy: -33.051
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: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -770.716105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.716105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.716105 (E_RNA)
where:
Base-Base interactions energy: -531.694
where: short stacking energy: -222.948
Base-Backbone interact. energy: -2.866
local terms energy: -236.156395
where:
bonds (distance) C4'-P energy: -39.179
bonds (distance) P-C4' energy: -51.251
flat angles C4'-P-C4' energy: -50.622
flat angles P-C4'-P energy: -30.138
tors. eta vs tors. theta energy: -64.967
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: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -660.221857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.221857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.221857 (E_RNA)
where:
Base-Base interactions energy: -430.627
where: short stacking energy: -201.029
Base-Backbone interact. energy: -0.633
local terms energy: -228.962395
where:
bonds (distance) C4'-P energy: -50.385
bonds (distance) P-C4' energy: -45.183
flat angles C4'-P-C4' energy: -43.652
flat angles P-C4'-P energy: -29.540
tors. eta vs tors. theta energy: -60.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -669.059026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.059026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.059026 (E_RNA)
where:
Base-Base interactions energy: -458.458
where: short stacking energy: -212.127
Base-Backbone interact. energy: 1.236
local terms energy: -211.837290
where:
bonds (distance) C4'-P energy: -33.971
bonds (distance) P-C4' energy: -51.259
flat angles C4'-P-C4' energy: -48.804
flat angles P-C4'-P energy: -26.242
tors. eta vs tors. theta energy: -51.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -607.999072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.999072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.999072 (E_RNA)
where:
Base-Base interactions energy: -395.426
where: short stacking energy: -176.124
Base-Backbone interact. energy: -1.220
local terms energy: -211.353221
where:
bonds (distance) C4'-P energy: -41.483
bonds (distance) P-C4' energy: -44.321
flat angles C4'-P-C4' energy: -44.652
flat angles P-C4'-P energy: -27.201
tors. eta vs tors. theta energy: -53.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -537.939796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.939796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.939796 (E_RNA)
where:
Base-Base interactions energy: -344.741
where: short stacking energy: -144.043
Base-Backbone interact. energy: -0.926
local terms energy: -192.272548
where:
bonds (distance) C4'-P energy: -38.041
bonds (distance) P-C4' energy: -45.256
flat angles C4'-P-C4' energy: -51.497
flat angles P-C4'-P energy: -31.210
tors. eta vs tors. theta energy: -26.268
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: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -358.523882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.523882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.523882 (E_RNA)
where:
Base-Base interactions energy: -201.845
where: short stacking energy: -109.138
Base-Backbone interact. energy: 0.701
local terms energy: -157.380228
where:
bonds (distance) C4'-P energy: -36.796
bonds (distance) P-C4' energy: -44.644
flat angles C4'-P-C4' energy: -38.166
flat angles P-C4'-P energy: -18.227
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -210.159291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.159291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.159291 (E_RNA)
where:
Base-Base interactions energy: -80.217
where: short stacking energy: -51.237
Base-Backbone interact. energy: -1.087
local terms energy: -128.854718
where:
bonds (distance) C4'-P energy: -38.492
bonds (distance) P-C4' energy: -45.459
flat angles C4'-P-C4' energy: -35.080
flat angles P-C4'-P energy: -17.633
tors. eta vs tors. theta energy: 7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -861.254392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.254392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.254392 (E_RNA)
where:
Base-Base interactions energy: -608.079
where: short stacking energy: -257.165
Base-Backbone interact. energy: -0.895
local terms energy: -252.279520
where:
bonds (distance) C4'-P energy: -42.237
bonds (distance) P-C4' energy: -50.196
flat angles C4'-P-C4' energy: -49.860
flat angles P-C4'-P energy: -29.869
tors. eta vs tors. theta energy: -80.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -813.771033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.771033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.771033 (E_RNA)
where:
Base-Base interactions energy: -578.343
where: short stacking energy: -216.127
Base-Backbone interact. energy: -0.806
local terms energy: -234.622406
where:
bonds (distance) C4'-P energy: -45.181
bonds (distance) P-C4' energy: -43.607
flat angles C4'-P-C4' energy: -55.053
flat angles P-C4'-P energy: -32.556
tors. eta vs tors. theta energy: -58.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -779.623782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.623782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.623782 (E_RNA)
where:
Base-Base interactions energy: -536.692
where: short stacking energy: -222.145
Base-Backbone interact. energy: -0.874
local terms energy: -242.058493
where:
bonds (distance) C4'-P energy: -51.263
bonds (distance) P-C4' energy: -44.545
flat angles C4'-P-C4' energy: -53.652
flat angles P-C4'-P energy: -32.106
tors. eta vs tors. theta energy: -60.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -775.305451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.305451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.305451 (E_RNA)
where:
Base-Base interactions energy: -550.574
where: short stacking energy: -218.828
Base-Backbone interact. energy: -1.408
local terms energy: -223.323796
where:
bonds (distance) C4'-P energy: -32.142
bonds (distance) P-C4' energy: -47.004
flat angles C4'-P-C4' energy: -50.034
flat angles P-C4'-P energy: -28.684
tors. eta vs tors. theta energy: -65.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -635.723559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.723559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.723559 (E_RNA)
where:
Base-Base interactions energy: -423.792
where: short stacking energy: -185.722
Base-Backbone interact. energy: 0.226
local terms energy: -212.157673
where:
bonds (distance) C4'-P energy: -37.071
bonds (distance) P-C4' energy: -44.413
flat angles C4'-P-C4' energy: -46.292
flat angles P-C4'-P energy: -37.180
tors. eta vs tors. theta energy: -47.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -623.925706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.925706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.925706 (E_RNA)
where:
Base-Base interactions energy: -412.186
where: short stacking energy: -189.323
Base-Backbone interact. energy: -0.304
local terms energy: -211.436235
where:
bonds (distance) C4'-P energy: -40.410
bonds (distance) P-C4' energy: -41.477
flat angles C4'-P-C4' energy: -51.213
flat angles P-C4'-P energy: -29.167
tors. eta vs tors. theta energy: -49.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -626.191987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.191987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.191987 (E_RNA)
where:
Base-Base interactions energy: -420.052
where: short stacking energy: -193.223
Base-Backbone interact. energy: -1.358
local terms energy: -204.781084
where:
bonds (distance) C4'-P energy: -30.206
bonds (distance) P-C4' energy: -45.968
flat angles C4'-P-C4' energy: -50.037
flat angles P-C4'-P energy: -31.260
tors. eta vs tors. theta energy: -47.311
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: 125
Temperature: 1.250000
Total energy: -498.581281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.581281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.581281 (E_RNA)
where:
Base-Base interactions energy: -331.199
where: short stacking energy: -136.887
Base-Backbone interact. energy: -0.135
local terms energy: -167.246720
where:
bonds (distance) C4'-P energy: -32.203
bonds (distance) P-C4' energy: -40.441
flat angles C4'-P-C4' energy: -43.225
flat angles P-C4'-P energy: -25.021
tors. eta vs tors. theta energy: -26.357
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: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -375.766928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.766928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.766928 (E_RNA)
where:
Base-Base interactions energy: -209.468
where: short stacking energy: -113.499
Base-Backbone interact. energy: -0.779
local terms energy: -165.519379
where:
bonds (distance) C4'-P energy: -36.941
bonds (distance) P-C4' energy: -50.346
flat angles C4'-P-C4' energy: -36.507
flat angles P-C4'-P energy: -25.359
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -201.417198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.417198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.417198 (E_RNA)
where:
Base-Base interactions energy: -79.899
where: short stacking energy: -79.880
Base-Backbone interact. energy: -0.890
local terms energy: -120.627447
where:
bonds (distance) C4'-P energy: -32.968
bonds (distance) P-C4' energy: -37.524
flat angles C4'-P-C4' energy: -28.380
flat angles P-C4'-P energy: -20.170
tors. eta vs tors. theta energy: -1.585
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: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -859.811434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.811434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.811434 (E_RNA)
where:
Base-Base interactions energy: -605.194
where: short stacking energy: -255.025
Base-Backbone interact. energy: -2.014
local terms energy: -252.604059
where:
bonds (distance) C4'-P energy: -47.127
bonds (distance) P-C4' energy: -49.075
flat angles C4'-P-C4' energy: -52.375
flat angles P-C4'-P energy: -26.314
tors. eta vs tors. theta energy: -77.713
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: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -817.973490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.973490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.973490 (E_RNA)
where:
Base-Base interactions energy: -581.733
where: short stacking energy: -226.931
Base-Backbone interact. energy: -1.603
local terms energy: -234.637016
where:
bonds (distance) C4'-P energy: -43.377
bonds (distance) P-C4' energy: -41.839
flat angles C4'-P-C4' energy: -50.756
flat angles P-C4'-P energy: -37.032
tors. eta vs tors. theta energy: -61.633
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: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -783.322909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.322909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.322909 (E_RNA)
where:
Base-Base interactions energy: -552.315
where: short stacking energy: -223.644
Base-Backbone interact. energy: 0.700
local terms energy: -231.707707
where:
bonds (distance) C4'-P energy: -42.554
bonds (distance) P-C4' energy: -41.151
flat angles C4'-P-C4' energy: -50.522
flat angles P-C4'-P energy: -31.897
tors. eta vs tors. theta energy: -65.583
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: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -767.210596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.210596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.210596 (E_RNA)
where:
Base-Base interactions energy: -530.390
where: short stacking energy: -219.001
Base-Backbone interact. energy: -0.337
local terms energy: -236.483538
where:
bonds (distance) C4'-P energy: -41.521
bonds (distance) P-C4' energy: -48.166
flat angles C4'-P-C4' energy: -52.054
flat angles P-C4'-P energy: -29.031
tors. eta vs tors. theta energy: -65.711
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: 126
Temperature: 1.100000
Total energy: -637.354591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.354591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.354591 (E_RNA)
where:
Base-Base interactions energy: -417.489
where: short stacking energy: -191.006
Base-Backbone interact. energy: 0.206
local terms energy: -220.071679
where:
bonds (distance) C4'-P energy: -36.685
bonds (distance) P-C4' energy: -43.916
flat angles C4'-P-C4' energy: -46.317
flat angles P-C4'-P energy: -38.043
tors. eta vs tors. theta energy: -55.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -634.047904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.047904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.047904 (E_RNA)
where:
Base-Base interactions energy: -420.142
where: short stacking energy: -189.713
Base-Backbone interact. energy: -0.875
local terms energy: -213.031318
where:
bonds (distance) C4'-P energy: -40.839
bonds (distance) P-C4' energy: -42.257
flat angles C4'-P-C4' energy: -46.582
flat angles P-C4'-P energy: -30.971
tors. eta vs tors. theta energy: -52.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -639.401186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.401186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.401186 (E_RNA)
where:
Base-Base interactions energy: -428.631
where: short stacking energy: -197.763
Base-Backbone interact. energy: -1.073
local terms energy: -209.696218
where:
bonds (distance) C4'-P energy: -37.251
bonds (distance) P-C4' energy: -47.576
flat angles C4'-P-C4' energy: -52.566
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: -53.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -554.768805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.768805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.768805 (E_RNA)
where:
Base-Base interactions energy: -361.269
where: short stacking energy: -157.460
Base-Backbone interact. energy: 0.201
local terms energy: -193.700806
where:
bonds (distance) C4'-P energy: -40.944
bonds (distance) P-C4' energy: -36.973
flat angles C4'-P-C4' energy: -44.148
flat angles P-C4'-P energy: -33.525
tors. eta vs tors. theta energy: -38.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -219.129120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.129120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.129120 (E_RNA)
where:
Base-Base interactions energy: -75.861
where: short stacking energy: -69.475
Base-Backbone interact. energy: -1.397
local terms energy: -141.870954
where:
bonds (distance) C4'-P energy: -38.528
bonds (distance) P-C4' energy: -48.164
flat angles C4'-P-C4' energy: -42.372
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -290.802379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.802379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.802379 (E_RNA)
where:
Base-Base interactions energy: -162.089
where: short stacking energy: -85.054
Base-Backbone interact. energy: -0.707
local terms energy: -128.006902
where:
bonds (distance) C4'-P energy: -32.263
bonds (distance) P-C4' energy: -40.448
flat angles C4'-P-C4' energy: -38.074
flat angles P-C4'-P energy: -17.661
tors. eta vs tors. theta energy: 0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -847.752500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.752500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.752500 (E_RNA)
where:
Base-Base interactions energy: -571.303
where: short stacking energy: -252.389
Base-Backbone interact. energy: -0.163
local terms energy: -276.286734
where:
bonds (distance) C4'-P energy: -53.862
bonds (distance) P-C4' energy: -49.746
flat angles C4'-P-C4' energy: -56.442
flat angles P-C4'-P energy: -37.214
tors. eta vs tors. theta energy: -79.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -801.102660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.102660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.102660 (E_RNA)
where:
Base-Base interactions energy: -550.381
where: short stacking energy: -218.654
Base-Backbone interact. energy: -3.830
local terms energy: -246.891370
where:
bonds (distance) C4'-P energy: -45.717
bonds (distance) P-C4' energy: -48.071
flat angles C4'-P-C4' energy: -53.515
flat angles P-C4'-P energy: -37.794
tors. eta vs tors. theta energy: -61.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -798.941200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.941200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.941200 (E_RNA)
where:
Base-Base interactions energy: -559.325
where: short stacking energy: -230.016
Base-Backbone interact. energy: -1.996
local terms energy: -237.619890
where:
bonds (distance) C4'-P energy: -43.436
bonds (distance) P-C4' energy: -47.174
flat angles C4'-P-C4' energy: -46.808
flat angles P-C4'-P energy: -35.774
tors. eta vs tors. theta energy: -64.428
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: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -722.032007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.032007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.032007 (E_RNA)
where:
Base-Base interactions energy: -508.532
where: short stacking energy: -206.491
Base-Backbone interact. energy: -0.774
local terms energy: -212.725677
where:
bonds (distance) C4'-P energy: -38.619
bonds (distance) P-C4' energy: -38.688
flat angles C4'-P-C4' energy: -41.101
flat angles P-C4'-P energy: -37.564
tors. eta vs tors. theta energy: -56.753
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: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -639.228814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.228814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.228814 (E_RNA)
where:
Base-Base interactions energy: -432.130
where: short stacking energy: -200.182
Base-Backbone interact. energy: -0.343
local terms energy: -206.756339
where:
bonds (distance) C4'-P energy: -45.972
bonds (distance) P-C4' energy: -38.382
flat angles C4'-P-C4' energy: -48.582
flat angles P-C4'-P energy: -26.793
tors. eta vs tors. theta energy: -47.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -665.358987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.358987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.358987 (E_RNA)
where:
Base-Base interactions energy: -441.917
where: short stacking energy: -196.383
Base-Backbone interact. energy: -0.056
local terms energy: -223.386289
where:
bonds (distance) C4'-P energy: -46.950
bonds (distance) P-C4' energy: -41.562
flat angles C4'-P-C4' energy: -53.738
flat angles P-C4'-P energy: -30.625
tors. eta vs tors. theta energy: -50.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -600.167373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.167373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.167373 (E_RNA)
where:
Base-Base interactions energy: -395.289
where: short stacking energy: -181.689
Base-Backbone interact. energy: 1.476
local terms energy: -206.354594
where:
bonds (distance) C4'-P energy: -42.222
bonds (distance) P-C4' energy: -38.964
flat angles C4'-P-C4' energy: -47.590
flat angles P-C4'-P energy: -30.255
tors. eta vs tors. theta energy: -47.324
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: 127
Temperature: 1.250000
Total energy: -521.027646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.027646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.027646 (E_RNA)
where:
Base-Base interactions energy: -342.876
where: short stacking energy: -165.983
Base-Backbone interact. energy: -0.567
local terms energy: -177.584347
where:
bonds (distance) C4'-P energy: -42.686
bonds (distance) P-C4' energy: -38.223
flat angles C4'-P-C4' energy: -42.668
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -33.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -220.418090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.418090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.418090 (E_RNA)
where:
Base-Base interactions energy: -82.487
where: short stacking energy: -63.519
Base-Backbone interact. energy: -1.677
local terms energy: -136.253741
where:
bonds (distance) C4'-P energy: -27.400
bonds (distance) P-C4' energy: -45.642
flat angles C4'-P-C4' energy: -39.617
flat angles P-C4'-P energy: -29.446
tors. eta vs tors. theta energy: 5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -310.337833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.337833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.337833 (E_RNA)
where:
Base-Base interactions energy: -170.144
where: short stacking energy: -78.490
Base-Backbone interact. energy: -1.229
local terms energy: -138.964921
where:
bonds (distance) C4'-P energy: -33.469
bonds (distance) P-C4' energy: -36.992
flat angles C4'-P-C4' energy: -45.009
flat angles P-C4'-P energy: -22.941
tors. eta vs tors. theta energy: -0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -844.725701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.725701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.725701 (E_RNA)
where:
Base-Base interactions energy: -590.042
where: short stacking energy: -258.843
Base-Backbone interact. energy: -1.889
local terms energy: -252.794144
where:
bonds (distance) C4'-P energy: -41.416
bonds (distance) P-C4' energy: -46.297
flat angles C4'-P-C4' energy: -51.539
flat angles P-C4'-P energy: -36.020
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: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -799.898691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.898691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.898691 (E_RNA)
where:
Base-Base interactions energy: -563.439
where: short stacking energy: -233.755
Base-Backbone interact. energy: -0.503
local terms energy: -235.956961
where:
bonds (distance) C4'-P energy: -38.792
bonds (distance) P-C4' energy: -47.459
flat angles C4'-P-C4' energy: -50.769
flat angles P-C4'-P energy: -34.497
tors. eta vs tors. theta energy: -64.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -803.570829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.570829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.570829 (E_RNA)
where:
Base-Base interactions energy: -562.449
where: short stacking energy: -216.826
Base-Backbone interact. energy: -1.262
local terms energy: -239.860048
where:
bonds (distance) C4'-P energy: -45.288
bonds (distance) P-C4' energy: -43.370
flat angles C4'-P-C4' energy: -52.018
flat angles P-C4'-P energy: -33.849
tors. eta vs tors. theta energy: -65.335
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: 128
Temperature: 1.050000
Total energy: -717.964521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.964521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.964521 (E_RNA)
where:
Base-Base interactions energy: -496.147
where: short stacking energy: -201.119
Base-Backbone interact. energy: -0.452
local terms energy: -221.365876
where:
bonds (distance) C4'-P energy: -39.209
bonds (distance) P-C4' energy: -43.417
flat angles C4'-P-C4' energy: -50.362
flat angles P-C4'-P energy: -31.442
tors. eta vs tors. theta energy: -56.936
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: 128
Temperature: 1.100000
Total energy: -673.210457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.210457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.210457 (E_RNA)
where:
Base-Base interactions energy: -460.166
where: short stacking energy: -203.467
Base-Backbone interact. energy: 0.192
local terms energy: -213.236715
where:
bonds (distance) C4'-P energy: -34.869
bonds (distance) P-C4' energy: -41.191
flat angles C4'-P-C4' energy: -50.173
flat angles P-C4'-P energy: -31.908
tors. eta vs tors. theta energy: -55.096
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: 128
Temperature: 1.150000
Total energy: -658.844500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.844500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.844500 (E_RNA)
where:
Base-Base interactions energy: -442.659
where: short stacking energy: -196.129
Base-Backbone interact. energy: -0.691
local terms energy: -215.493653
where:
bonds (distance) C4'-P energy: -43.595
bonds (distance) P-C4' energy: -37.069
flat angles C4'-P-C4' energy: -43.754
flat angles P-C4'-P energy: -35.430
tors. eta vs tors. theta energy: -55.645
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: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -574.964695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.964695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.964695 (E_RNA)
where:
Base-Base interactions energy: -379.300
where: short stacking energy: -168.257
Base-Backbone interact. energy: -1.230
local terms energy: -194.434706
where:
bonds (distance) C4'-P energy: -40.379
bonds (distance) P-C4' energy: -43.918
flat angles C4'-P-C4' energy: -48.942
flat angles P-C4'-P energy: -23.107
tors. eta vs tors. theta energy: -38.089
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: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -586.602357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.602357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.602357 (E_RNA)
where:
Base-Base interactions energy: -387.054
where: short stacking energy: -173.121
Base-Backbone interact. energy: -0.358
local terms energy: -199.190108
where:
bonds (distance) C4'-P energy: -43.807
bonds (distance) P-C4' energy: -32.443
flat angles C4'-P-C4' energy: -46.318
flat angles P-C4'-P energy: -34.754
tors. eta vs tors. theta energy: -41.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -351.229605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.229605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.229605 (E_RNA)
where:
Base-Base interactions energy: -196.905
where: short stacking energy: -104.854
Base-Backbone interact. energy: 0.382
local terms energy: -154.706073
where:
bonds (distance) C4'-P energy: -36.636
bonds (distance) P-C4' energy: -41.013
flat angles C4'-P-C4' energy: -35.575
flat angles P-C4'-P energy: -22.419
tors. eta vs tors. theta energy: -19.064
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: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -218.038538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.038538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.038538 (E_RNA)
where:
Base-Base interactions energy: -85.277
where: short stacking energy: -71.941
Base-Backbone interact. energy: 2.100
local terms energy: -134.861385
where:
bonds (distance) C4'-P energy: -34.774
bonds (distance) P-C4' energy: -44.723
flat angles C4'-P-C4' energy: -36.095
flat angles P-C4'-P energy: -15.865
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -830.704235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.704235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.704235 (E_RNA)
where:
Base-Base interactions energy: -576.251
where: short stacking energy: -246.962
Base-Backbone interact. energy: -0.002
local terms energy: -254.450471
where:
bonds (distance) C4'-P energy: -48.143
bonds (distance) P-C4' energy: -42.598
flat angles C4'-P-C4' energy: -52.319
flat angles P-C4'-P energy: -36.391
tors. eta vs tors. theta energy: -75.000
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: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -821.741193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.741193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.741193 (E_RNA)
where:
Base-Base interactions energy: -584.687
where: short stacking energy: -239.028
Base-Backbone interact. energy: 0.213
local terms energy: -237.266979
where:
bonds (distance) C4'-P energy: -41.132
bonds (distance) P-C4' energy: -50.385
flat angles C4'-P-C4' energy: -51.574
flat angles P-C4'-P energy: -35.070
tors. eta vs tors. theta energy: -59.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -756.221236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.221236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.221236 (E_RNA)
where:
Base-Base interactions energy: -535.290
where: short stacking energy: -209.491
Base-Backbone interact. energy: 0.498
local terms energy: -221.429714
where:
bonds (distance) C4'-P energy: -38.603
bonds (distance) P-C4' energy: -44.922
flat angles C4'-P-C4' energy: -50.718
flat angles P-C4'-P energy: -39.973
tors. eta vs tors. theta energy: -47.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -711.010711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.010711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.010711 (E_RNA)
where:
Base-Base interactions energy: -496.522
where: short stacking energy: -216.149
Base-Backbone interact. energy: -0.434
local terms energy: -214.054297
where:
bonds (distance) C4'-P energy: -41.978
bonds (distance) P-C4' energy: -40.378
flat angles C4'-P-C4' energy: -47.299
flat angles P-C4'-P energy: -28.400
tors. eta vs tors. theta energy: -56.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -695.162479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.162479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.162479 (E_RNA)
where:
Base-Base interactions energy: -474.741
where: short stacking energy: -195.524
Base-Backbone interact. energy: 0.830
local terms energy: -221.251100
where:
bonds (distance) C4'-P energy: -39.187
bonds (distance) P-C4' energy: -47.717
flat angles C4'-P-C4' energy: -45.753
flat angles P-C4'-P energy: -30.439
tors. eta vs tors. theta energy: -58.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -643.397282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.397282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.397282 (E_RNA)
where:
Base-Base interactions energy: -426.363
where: short stacking energy: -198.765
Base-Backbone interact. energy: 0.429
local terms energy: -217.462735
where:
bonds (distance) C4'-P energy: -45.575
bonds (distance) P-C4' energy: -39.994
flat angles C4'-P-C4' energy: -48.240
flat angles P-C4'-P energy: -25.920
tors. eta vs tors. theta energy: -57.735
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: 129
Temperature: 1.200000
Total energy: -609.073123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.073123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.073123 (E_RNA)
where:
Base-Base interactions energy: -412.606
where: short stacking energy: -175.891
Base-Backbone interact. energy: -0.421
local terms energy: -196.045818
where:
bonds (distance) C4'-P energy: -35.928
bonds (distance) P-C4' energy: -42.715
flat angles C4'-P-C4' energy: -37.060
flat angles P-C4'-P energy: -34.556
tors. eta vs tors. theta energy: -45.788
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: 1
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -565.927713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.927713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.927713 (E_RNA)
where:
Base-Base interactions energy: -369.866
where: short stacking energy: -161.319
Base-Backbone interact. energy: 0.248
local terms energy: -196.309055
where:
bonds (distance) C4'-P energy: -39.807
bonds (distance) P-C4' energy: -44.036
flat angles C4'-P-C4' energy: -42.321
flat angles P-C4'-P energy: -27.396
tors. eta vs tors. theta energy: -42.749
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: 9, replica: 4
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -318.647098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.647098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.647098 (E_RNA)
where:
Base-Base interactions energy: -175.699
where: short stacking energy: -108.292
Base-Backbone interact. energy: -0.927
local terms energy: -142.021381
where:
bonds (distance) C4'-P energy: -33.558
bonds (distance) P-C4' energy: -41.592
flat angles C4'-P-C4' energy: -35.169
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: -12.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -236.424166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.424166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.424166 (E_RNA)
where:
Base-Base interactions energy: -103.274
where: short stacking energy: -81.703
Base-Backbone interact. energy: 2.622
local terms energy: -135.772200
where:
bonds (distance) C4'-P energy: -34.643
bonds (distance) P-C4' energy: -40.339
flat angles C4'-P-C4' energy: -36.672
flat angles P-C4'-P energy: -20.236
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -844.000132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.000132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.000132 (E_RNA)
where:
Base-Base interactions energy: -594.224
where: short stacking energy: -262.062
Base-Backbone interact. energy: -0.123
local terms energy: -249.653134
where:
bonds (distance) C4'-P energy: -45.882
bonds (distance) P-C4' energy: -39.938
flat angles C4'-P-C4' energy: -50.313
flat angles P-C4'-P energy: -39.302
tors. eta vs tors. theta energy: -74.218
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: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -795.898876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.898876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.898876 (E_RNA)
where:
Base-Base interactions energy: -569.331
where: short stacking energy: -219.469
Base-Backbone interact. energy: 0.249
local terms energy: -226.816897
where:
bonds (distance) C4'-P energy: -43.496
bonds (distance) P-C4' energy: -47.695
flat angles C4'-P-C4' energy: -46.011
flat angles P-C4'-P energy: -24.828
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: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -772.383192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.383192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.383192 (E_RNA)
where:
Base-Base interactions energy: -548.206
where: short stacking energy: -220.764
Base-Backbone interact. energy: 0.572
local terms energy: -224.749059
where:
bonds (distance) C4'-P energy: -42.871
bonds (distance) P-C4' energy: -50.385
flat angles C4'-P-C4' energy: -47.259
flat angles P-C4'-P energy: -29.789
tors. eta vs tors. theta energy: -54.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -704.401549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.401549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.401549 (E_RNA)
where:
Base-Base interactions energy: -474.348
where: short stacking energy: -207.797
Base-Backbone interact. energy: -1.091
local terms energy: -228.962519
where:
bonds (distance) C4'-P energy: -49.212
bonds (distance) P-C4' energy: -44.724
flat angles C4'-P-C4' energy: -46.909
flat angles P-C4'-P energy: -31.096
tors. eta vs tors. theta energy: -57.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -679.730773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.730773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.730773 (E_RNA)
where:
Base-Base interactions energy: -477.148
where: short stacking energy: -198.490
Base-Backbone interact. energy: 0.232
local terms energy: -202.814816
where:
bonds (distance) C4'-P energy: -44.022
bonds (distance) P-C4' energy: -35.590
flat angles C4'-P-C4' energy: -40.110
flat angles P-C4'-P energy: -30.326
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: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -631.057998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.057998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.057998 (E_RNA)
where:
Base-Base interactions energy: -418.548
where: short stacking energy: -191.459
Base-Backbone interact. energy: -0.385
local terms energy: -212.125069
where:
bonds (distance) C4'-P energy: -44.211
bonds (distance) P-C4' energy: -34.142
flat angles C4'-P-C4' energy: -44.635
flat angles P-C4'-P energy: -31.655
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: 130
Temperature: 1.200000
Total energy: -570.141046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.141046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.141046 (E_RNA)
where:
Base-Base interactions energy: -407.764
where: short stacking energy: -155.019
Base-Backbone interact. energy: 0.545
local terms energy: -162.921955
where:
bonds (distance) C4'-P energy: -26.222
bonds (distance) P-C4' energy: -32.340
flat angles C4'-P-C4' energy: -38.292
flat angles P-C4'-P energy: -24.450
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: 1
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -573.809455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.809455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.809455 (E_RNA)
where:
Base-Base interactions energy: -380.112
where: short stacking energy: -159.191
Base-Backbone interact. energy: 1.739
local terms energy: -195.436686
where:
bonds (distance) C4'-P energy: -46.169
bonds (distance) P-C4' energy: -41.470
flat angles C4'-P-C4' energy: -46.154
flat angles P-C4'-P energy: -26.718
tors. eta vs tors. theta energy: -34.926
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: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -336.800993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.800993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.800993 (E_RNA)
where:
Base-Base interactions energy: -181.937
where: short stacking energy: -91.990
Base-Backbone interact. energy: 0.939
local terms energy: -155.803053
where:
bonds (distance) C4'-P energy: -47.369
bonds (distance) P-C4' energy: -42.033
flat angles C4'-P-C4' energy: -36.110
flat angles P-C4'-P energy: -26.061
tors. eta vs tors. theta energy: -4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -193.580584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.580584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.580584 (E_RNA)
where:
Base-Base interactions energy: -78.498
where: short stacking energy: -78.338
Base-Backbone interact. energy: 1.972
local terms energy: -117.054488
where:
bonds (distance) C4'-P energy: -37.899
bonds (distance) P-C4' energy: -35.689
flat angles C4'-P-C4' energy: -29.856
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: 2.461
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: 5
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -838.893091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.893091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.893091 (E_RNA)
where:
Base-Base interactions energy: -575.499
where: short stacking energy: -251.235
Base-Backbone interact. energy: -0.324
local terms energy: -263.070428
where:
bonds (distance) C4'-P energy: -47.035
bonds (distance) P-C4' energy: -44.290
flat angles C4'-P-C4' energy: -55.520
flat angles P-C4'-P energy: -37.990
tors. eta vs tors. theta energy: -78.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -815.957401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.957401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.957401 (E_RNA)
where:
Base-Base interactions energy: -572.666
where: short stacking energy: -241.832
Base-Backbone interact. energy: -0.538
local terms energy: -242.753452
where:
bonds (distance) C4'-P energy: -51.108
bonds (distance) P-C4' energy: -36.645
flat angles C4'-P-C4' energy: -55.042
flat angles P-C4'-P energy: -36.430
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: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -752.929717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.929717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.929717 (E_RNA)
where:
Base-Base interactions energy: -532.433
where: short stacking energy: -217.688
Base-Backbone interact. energy: -1.245
local terms energy: -219.251204
where:
bonds (distance) C4'-P energy: -38.504
bonds (distance) P-C4' energy: -45.581
flat angles C4'-P-C4' energy: -47.349
flat angles P-C4'-P energy: -28.481
tors. eta vs tors. theta energy: -59.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -739.244845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.244845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.244845 (E_RNA)
where:
Base-Base interactions energy: -518.131
where: short stacking energy: -212.856
Base-Backbone interact. energy: -1.354
local terms energy: -219.760272
where:
bonds (distance) C4'-P energy: -38.815
bonds (distance) P-C4' energy: -45.722
flat angles C4'-P-C4' energy: -51.035
flat angles P-C4'-P energy: -25.176
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: 5, replica: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -693.025248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.025248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.025248 (E_RNA)
where:
Base-Base interactions energy: -467.122
where: short stacking energy: -220.408
Base-Backbone interact. energy: -0.387
local terms energy: -225.516649
where:
bonds (distance) C4'-P energy: -37.654
bonds (distance) P-C4' energy: -46.934
flat angles C4'-P-C4' energy: -46.358
flat angles P-C4'-P energy: -34.819
tors. eta vs tors. theta energy: -59.752
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: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -645.379846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.379846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.379846 (E_RNA)
where:
Base-Base interactions energy: -427.180
where: short stacking energy: -192.769
Base-Backbone interact. energy: -0.485
local terms energy: -217.714710
where:
bonds (distance) C4'-P energy: -44.948
bonds (distance) P-C4' energy: -42.786
flat angles C4'-P-C4' energy: -42.800
flat angles P-C4'-P energy: -26.770
tors. eta vs tors. theta energy: -60.411
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: 7, replica: 9
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -569.789789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.789789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.789789 (E_RNA)
where:
Base-Base interactions energy: -387.436
where: short stacking energy: -157.010
Base-Backbone interact. energy: -1.938
local terms energy: -180.415886
where:
bonds (distance) C4'-P energy: -30.868
bonds (distance) P-C4' energy: -45.450
flat angles C4'-P-C4' energy: -41.149
flat angles P-C4'-P energy: -30.735
tors. eta vs tors. theta energy: -32.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -553.828836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.828836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.828836 (E_RNA)
where:
Base-Base interactions energy: -349.399
where: short stacking energy: -166.181
Base-Backbone interact. energy: -1.585
local terms energy: -202.845082
where:
bonds (distance) C4'-P energy: -44.176
bonds (distance) P-C4' energy: -39.006
flat angles C4'-P-C4' energy: -48.550
flat angles P-C4'-P energy: -23.368
tors. eta vs tors. theta energy: -47.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -373.318681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.318681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.318681 (E_RNA)
where:
Base-Base interactions energy: -212.263
where: short stacking energy: -109.067
Base-Backbone interact. energy: -1.675
local terms energy: -159.380390
where:
bonds (distance) C4'-P energy: -40.516
bonds (distance) P-C4' energy: -47.808
flat angles C4'-P-C4' energy: -44.858
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -10.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -224.847325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.847325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.847325 (E_RNA)
where:
Base-Base interactions energy: -86.223
where: short stacking energy: -80.968
Base-Backbone interact. energy: -0.358
local terms energy: -138.265788
where:
bonds (distance) C4'-P energy: -36.141
bonds (distance) P-C4' energy: -44.585
flat angles C4'-P-C4' energy: -39.902
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -829.094394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.094394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.094394 (E_RNA)
where:
Base-Base interactions energy: -586.519
where: short stacking energy: -246.449
Base-Backbone interact. energy: -0.658
local terms energy: -241.916911
where:
bonds (distance) C4'-P energy: -46.229
bonds (distance) P-C4' energy: -45.088
flat angles C4'-P-C4' energy: -56.540
flat angles P-C4'-P energy: -31.677
tors. eta vs tors. theta energy: -62.383
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: 5
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -833.113249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.113249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.113249 (E_RNA)
where:
Base-Base interactions energy: -576.996
where: short stacking energy: -252.805
Base-Backbone interact. energy: -1.191
local terms energy: -254.926392
where:
bonds (distance) C4'-P energy: -45.780
bonds (distance) P-C4' energy: -46.185
flat angles C4'-P-C4' energy: -45.908
flat angles P-C4'-P energy: -36.895
tors. eta vs tors. theta energy: -80.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -772.656824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.656824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.656824 (E_RNA)
where:
Base-Base interactions energy: -528.838
where: short stacking energy: -220.643
Base-Backbone interact. energy: -1.474
local terms energy: -242.345137
where:
bonds (distance) C4'-P energy: -52.130
bonds (distance) P-C4' energy: -45.176
flat angles C4'-P-C4' energy: -53.342
flat angles P-C4'-P energy: -32.513
tors. eta vs tors. theta energy: -59.184
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: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -729.073938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.073938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.073938 (E_RNA)
where:
Base-Base interactions energy: -518.799
where: short stacking energy: -210.174
Base-Backbone interact. energy: -0.310
local terms energy: -209.965031
where:
bonds (distance) C4'-P energy: -39.818
bonds (distance) P-C4' energy: -34.581
flat angles C4'-P-C4' energy: -48.816
flat angles P-C4'-P energy: -30.212
tors. eta vs tors. theta energy: -56.538
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: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -693.115647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.115647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.115647 (E_RNA)
where:
Base-Base interactions energy: -483.301
where: short stacking energy: -232.119
Base-Backbone interact. energy: -0.712
local terms energy: -209.102815
where:
bonds (distance) C4'-P energy: -31.371
bonds (distance) P-C4' energy: -45.773
flat angles C4'-P-C4' energy: -44.012
flat angles P-C4'-P energy: -29.508
tors. eta vs tors. theta energy: -58.439
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: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -624.002681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.002681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.002681 (E_RNA)
where:
Base-Base interactions energy: -398.310
where: short stacking energy: -204.593
Base-Backbone interact. energy: -0.337
local terms energy: -225.356024
where:
bonds (distance) C4'-P energy: -49.882
bonds (distance) P-C4' energy: -36.260
flat angles C4'-P-C4' energy: -45.863
flat angles P-C4'-P energy: -30.049
tors. eta vs tors. theta energy: -63.302
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: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -591.282732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.282732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.282732 (E_RNA)
where:
Base-Base interactions energy: -380.870
where: short stacking energy: -173.626
Base-Backbone interact. energy: 1.009
local terms energy: -211.422597
where:
bonds (distance) C4'-P energy: -36.091
bonds (distance) P-C4' energy: -46.262
flat angles C4'-P-C4' energy: -45.648
flat angles P-C4'-P energy: -31.721
tors. eta vs tors. theta energy: -51.700
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: 132
Temperature: 1.250000
Total energy: -530.776874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.776874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.776874 (E_RNA)
where:
Base-Base interactions energy: -363.905
where: short stacking energy: -151.766
Base-Backbone interact. energy: 1.672
local terms energy: -168.543711
where:
bonds (distance) C4'-P energy: -30.615
bonds (distance) P-C4' energy: -45.394
flat angles C4'-P-C4' energy: -35.509
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: -34.632
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: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -316.614565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.614565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.614565 (E_RNA)
where:
Base-Base interactions energy: -164.203
where: short stacking energy: -92.861
Base-Backbone interact. energy: -0.842
local terms energy: -151.569195
where:
bonds (distance) C4'-P energy: -37.665
bonds (distance) P-C4' energy: -36.273
flat angles C4'-P-C4' energy: -33.236
flat angles P-C4'-P energy: -31.664
tors. eta vs tors. theta energy: -12.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -219.857161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.857161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.857161 (E_RNA)
where:
Base-Base interactions energy: -78.293
where: short stacking energy: -57.030
Base-Backbone interact. energy: -1.896
local terms energy: -139.669025
where:
bonds (distance) C4'-P energy: -46.634
bonds (distance) P-C4' energy: -46.594
flat angles C4'-P-C4' energy: -33.071
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: 0.157
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: 1, replica: 8
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -825.308691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.308691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.308691 (E_RNA)
where:
Base-Base interactions energy: -588.961
where: short stacking energy: -256.869
Base-Backbone interact. energy: -1.037
local terms energy: -235.310673
where:
bonds (distance) C4'-P energy: -45.491
bonds (distance) P-C4' energy: -43.091
flat angles C4'-P-C4' energy: -45.721
flat angles P-C4'-P energy: -36.259
tors. eta vs tors. theta energy: -64.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -829.622461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.622461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.622461 (E_RNA)
where:
Base-Base interactions energy: -572.833
where: short stacking energy: -248.303
Base-Backbone interact. energy: -0.261
local terms energy: -256.527994
where:
bonds (distance) C4'-P energy: -44.311
bonds (distance) P-C4' energy: -41.555
flat angles C4'-P-C4' energy: -51.975
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: -77.809
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: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -781.763377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.763377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.763377 (E_RNA)
where:
Base-Base interactions energy: -557.794
where: short stacking energy: -215.311
Base-Backbone interact. energy: -0.529
local terms energy: -223.440343
where:
bonds (distance) C4'-P energy: -45.026
bonds (distance) P-C4' energy: -34.748
flat angles C4'-P-C4' energy: -45.300
flat angles P-C4'-P energy: -39.326
tors. eta vs tors. theta energy: -59.039
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: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -692.177406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.177406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.177406 (E_RNA)
where:
Base-Base interactions energy: -462.328
where: short stacking energy: -210.345
Base-Backbone interact. energy: 0.126
local terms energy: -229.974774
where:
bonds (distance) C4'-P energy: -43.831
bonds (distance) P-C4' energy: -44.762
flat angles C4'-P-C4' energy: -48.964
flat angles P-C4'-P energy: -29.540
tors. eta vs tors. theta energy: -62.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -727.667448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.667448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.667448 (E_RNA)
where:
Base-Base interactions energy: -503.065
where: short stacking energy: -217.170
Base-Backbone interact. energy: -0.747
local terms energy: -223.854587
where:
bonds (distance) C4'-P energy: -39.434
bonds (distance) P-C4' energy: -38.529
flat angles C4'-P-C4' energy: -49.611
flat angles P-C4'-P energy: -34.702
tors. eta vs tors. theta energy: -61.579
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: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -625.611009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.611009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.611009 (E_RNA)
where:
Base-Base interactions energy: -415.311
where: short stacking energy: -196.855
Base-Backbone interact. energy: 2.599
local terms energy: -212.898266
where:
bonds (distance) C4'-P energy: -35.496
bonds (distance) P-C4' energy: -47.413
flat angles C4'-P-C4' energy: -36.774
flat angles P-C4'-P energy: -32.980
tors. eta vs tors. theta energy: -60.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -563.014628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.014628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.014628 (E_RNA)
where:
Base-Base interactions energy: -360.836
where: short stacking energy: -158.339
Base-Backbone interact. energy: -0.839
local terms energy: -201.339407
where:
bonds (distance) C4'-P energy: -44.244
bonds (distance) P-C4' energy: -38.572
flat angles C4'-P-C4' energy: -41.794
flat angles P-C4'-P energy: -27.119
tors. eta vs tors. theta energy: -49.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -528.101976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.101976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.101976 (E_RNA)
where:
Base-Base interactions energy: -360.913
where: short stacking energy: -155.173
Base-Backbone interact. energy: -1.272
local terms energy: -165.916579
where:
bonds (distance) C4'-P energy: -36.128
bonds (distance) P-C4' energy: -34.974
flat angles C4'-P-C4' energy: -34.741
flat angles P-C4'-P energy: -21.007
tors. eta vs tors. theta energy: -39.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -317.226181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.226181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.226181 (E_RNA)
where:
Base-Base interactions energy: -153.799
where: short stacking energy: -88.010
Base-Backbone interact. energy: 2.568
local terms energy: -165.995950
where:
bonds (distance) C4'-P energy: -28.386
bonds (distance) P-C4' energy: -46.591
flat angles C4'-P-C4' energy: -47.568
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: -18.155
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: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -223.836256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.836256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.836256 (E_RNA)
where:
Base-Base interactions energy: -78.224
where: short stacking energy: -67.836
Base-Backbone interact. energy: -0.834
local terms energy: -144.778353
where:
bonds (distance) C4'-P energy: -41.568
bonds (distance) P-C4' energy: -39.120
flat angles C4'-P-C4' energy: -42.060
flat angles P-C4'-P energy: -16.783
tors. eta vs tors. theta energy: -5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -821.216050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.216050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.216050 (E_RNA)
where:
Base-Base interactions energy: -577.208
where: short stacking energy: -242.771
Base-Backbone interact. energy: -0.938
local terms energy: -243.070354
where:
bonds (distance) C4'-P energy: -43.472
bonds (distance) P-C4' energy: -49.044
flat angles C4'-P-C4' energy: -53.012
flat angles P-C4'-P energy: -38.133
tors. eta vs tors. theta energy: -59.410
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: 5
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -815.062162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.062162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.062162 (E_RNA)
where:
Base-Base interactions energy: -564.887
where: short stacking energy: -240.647
Base-Backbone interact. energy: -0.221
local terms energy: -249.954396
where:
bonds (distance) C4'-P energy: -37.391
bonds (distance) P-C4' energy: -47.963
flat angles C4'-P-C4' energy: -52.829
flat angles P-C4'-P energy: -39.249
tors. eta vs tors. theta energy: -72.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -782.926889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.926889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.926889 (E_RNA)
where:
Base-Base interactions energy: -535.155
where: short stacking energy: -216.133
Base-Backbone interact. energy: -1.526
local terms energy: -246.245257
where:
bonds (distance) C4'-P energy: -45.128
bonds (distance) P-C4' energy: -52.161
flat angles C4'-P-C4' energy: -49.561
flat angles P-C4'-P energy: -35.366
tors. eta vs tors. theta energy: -64.029
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: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -699.881950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.881950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.881950 (E_RNA)
where:
Base-Base interactions energy: -476.183
where: short stacking energy: -222.671
Base-Backbone interact. energy: -0.171
local terms energy: -223.528335
where:
bonds (distance) C4'-P energy: -44.407
bonds (distance) P-C4' energy: -42.007
flat angles C4'-P-C4' energy: -46.555
flat angles P-C4'-P energy: -29.224
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: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -733.820079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.820079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.820079 (E_RNA)
where:
Base-Base interactions energy: -517.004
where: short stacking energy: -199.760
Base-Backbone interact. energy: -0.858
local terms energy: -215.957786
where:
bonds (distance) C4'-P energy: -44.080
bonds (distance) P-C4' energy: -38.164
flat angles C4'-P-C4' energy: -51.235
flat angles P-C4'-P energy: -33.763
tors. eta vs tors. theta energy: -48.716
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: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -634.834160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.834160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.834160 (E_RNA)
where:
Base-Base interactions energy: -427.407
where: short stacking energy: -195.036
Base-Backbone interact. energy: 0.205
local terms energy: -207.631962
where:
bonds (distance) C4'-P energy: -37.808
bonds (distance) P-C4' energy: -43.813
flat angles C4'-P-C4' energy: -41.681
flat angles P-C4'-P energy: -32.023
tors. eta vs tors. theta energy: -52.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -570.340257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.340257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.340257 (E_RNA)
where:
Base-Base interactions energy: -376.545
where: short stacking energy: -170.699
Base-Backbone interact. energy: -0.212
local terms energy: -193.583174
where:
bonds (distance) C4'-P energy: -47.499
bonds (distance) P-C4' energy: -42.025
flat angles C4'-P-C4' energy: -44.277
flat angles P-C4'-P energy: -18.298
tors. eta vs tors. theta energy: -41.484
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: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -544.663727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.663727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.663727 (E_RNA)
where:
Base-Base interactions energy: -357.695
where: short stacking energy: -147.186
Base-Backbone interact. energy: 0.449
local terms energy: -187.417815
where:
bonds (distance) C4'-P energy: -45.621
bonds (distance) P-C4' energy: -37.620
flat angles C4'-P-C4' energy: -42.634
flat angles P-C4'-P energy: -31.384
tors. eta vs tors. theta energy: -30.159
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: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -291.236088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.236088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.236088 (E_RNA)
where:
Base-Base interactions energy: -162.357
where: short stacking energy: -85.717
Base-Backbone interact. energy: 0.102
local terms energy: -128.981269
where:
bonds (distance) C4'-P energy: -34.157
bonds (distance) P-C4' energy: -28.752
flat angles C4'-P-C4' energy: -41.576
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -228.812837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.812837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.812837 (E_RNA)
where:
Base-Base interactions energy: -96.564
where: short stacking energy: -90.262
Base-Backbone interact. energy: -0.500
local terms energy: -131.748311
where:
bonds (distance) C4'-P energy: -37.489
bonds (distance) P-C4' energy: -37.605
flat angles C4'-P-C4' energy: -32.726
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -823.388373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.388373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.388373 (E_RNA)
where:
Base-Base interactions energy: -573.262
where: short stacking energy: -245.823
Base-Backbone interact. energy: -0.877
local terms energy: -249.250115
where:
bonds (distance) C4'-P energy: -44.554
bonds (distance) P-C4' energy: -49.047
flat angles C4'-P-C4' energy: -52.997
flat angles P-C4'-P energy: -34.801
tors. eta vs tors. theta energy: -67.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -829.303845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.303845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.303845 (E_RNA)
where:
Base-Base interactions energy: -570.665
where: short stacking energy: -269.159
Base-Backbone interact. energy: -0.262
local terms energy: -258.375989
where:
bonds (distance) C4'-P energy: -50.258
bonds (distance) P-C4' energy: -49.368
flat angles C4'-P-C4' energy: -47.729
flat angles P-C4'-P energy: -37.366
tors. eta vs tors. theta energy: -73.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -784.415777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.415777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.415777 (E_RNA)
where:
Base-Base interactions energy: -544.256
where: short stacking energy: -222.280
Base-Backbone interact. energy: -1.409
local terms energy: -238.750475
where:
bonds (distance) C4'-P energy: -41.697
bonds (distance) P-C4' energy: -49.692
flat angles C4'-P-C4' energy: -49.570
flat angles P-C4'-P energy: -36.967
tors. eta vs tors. theta energy: -60.824
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: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -756.172136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.172136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.172136 (E_RNA)
where:
Base-Base interactions energy: -534.558
where: short stacking energy: -216.102
Base-Backbone interact. energy: -0.950
local terms energy: -220.663983
where:
bonds (distance) C4'-P energy: -37.319
bonds (distance) P-C4' energy: -35.942
flat angles C4'-P-C4' energy: -48.386
flat angles P-C4'-P energy: -35.078
tors. eta vs tors. theta energy: -63.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -688.876525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.876525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.876525 (E_RNA)
where:
Base-Base interactions energy: -465.628
where: short stacking energy: -214.351
Base-Backbone interact. energy: -0.040
local terms energy: -223.207964
where:
bonds (distance) C4'-P energy: -45.686
bonds (distance) P-C4' energy: -43.429
flat angles C4'-P-C4' energy: -41.583
flat angles P-C4'-P energy: -34.954
tors. eta vs tors. theta energy: -57.556
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: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -607.823583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.823583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.823583 (E_RNA)
where:
Base-Base interactions energy: -400.435
where: short stacking energy: -175.242
Base-Backbone interact. energy: -0.867
local terms energy: -206.520882
where:
bonds (distance) C4'-P energy: -41.289
bonds (distance) P-C4' energy: -43.529
flat angles C4'-P-C4' energy: -48.821
flat angles P-C4'-P energy: -29.964
tors. eta vs tors. theta energy: -42.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -556.737040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.737040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.737040 (E_RNA)
where:
Base-Base interactions energy: -359.660
where: short stacking energy: -156.539
Base-Backbone interact. energy: -0.347
local terms energy: -196.729280
where:
bonds (distance) C4'-P energy: -46.206
bonds (distance) P-C4' energy: -43.781
flat angles C4'-P-C4' energy: -44.548
flat angles P-C4'-P energy: -29.074
tors. eta vs tors. theta energy: -33.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -531.206368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.206368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.206368 (E_RNA)
where:
Base-Base interactions energy: -354.710
where: short stacking energy: -155.872
Base-Backbone interact. energy: 0.254
local terms energy: -176.750111
where:
bonds (distance) C4'-P energy: -34.505
bonds (distance) P-C4' energy: -31.721
flat angles C4'-P-C4' energy: -48.614
flat angles P-C4'-P energy: -27.170
tors. eta vs tors. theta energy: -34.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -309.173463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.173463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.173463 (E_RNA)
where:
Base-Base interactions energy: -165.457
where: short stacking energy: -98.992
Base-Backbone interact. energy: 2.879
local terms energy: -146.594537
where:
bonds (distance) C4'-P energy: -36.778
bonds (distance) P-C4' energy: -46.905
flat angles C4'-P-C4' energy: -37.044
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -8.296
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: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -199.546822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.546822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.546822 (E_RNA)
where:
Base-Base interactions energy: -89.053
where: short stacking energy: -79.589
Base-Backbone interact. energy: 3.917
local terms energy: -114.410663
where:
bonds (distance) C4'-P energy: -40.434
bonds (distance) P-C4' energy: -36.358
flat angles C4'-P-C4' energy: -34.761
flat angles P-C4'-P energy: -21.673
tors. eta vs tors. theta energy: 18.816
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: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -850.928688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.928688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.928688 (E_RNA)
where:
Base-Base interactions energy: -599.907
where: short stacking energy: -249.723
Base-Backbone interact. energy: -0.293
local terms energy: -250.728364
where:
bonds (distance) C4'-P energy: -49.907
bonds (distance) P-C4' energy: -44.765
flat angles C4'-P-C4' energy: -48.947
flat angles P-C4'-P energy: -32.856
tors. eta vs tors. theta energy: -74.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -804.564467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.564467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.564467 (E_RNA)
where:
Base-Base interactions energy: -556.206
where: short stacking energy: -239.044
Base-Backbone interact. energy: 1.014
local terms energy: -249.372847
where:
bonds (distance) C4'-P energy: -46.574
bonds (distance) P-C4' energy: -47.997
flat angles C4'-P-C4' energy: -50.515
flat angles P-C4'-P energy: -39.475
tors. eta vs tors. theta energy: -64.812
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: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -761.570213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.570213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.570213 (E_RNA)
where:
Base-Base interactions energy: -531.422
where: short stacking energy: -227.603
Base-Backbone interact. energy: -0.148
local terms energy: -230.000285
where:
bonds (distance) C4'-P energy: -47.896
bonds (distance) P-C4' energy: -37.834
flat angles C4'-P-C4' energy: -45.281
flat angles P-C4'-P energy: -36.541
tors. eta vs tors. theta energy: -62.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -738.525940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.525940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.525940 (E_RNA)
where:
Base-Base interactions energy: -514.638
where: short stacking energy: -205.993
Base-Backbone interact. energy: -1.349
local terms energy: -222.539404
where:
bonds (distance) C4'-P energy: -37.082
bonds (distance) P-C4' energy: -50.424
flat angles C4'-P-C4' energy: -48.045
flat angles P-C4'-P energy: -33.762
tors. eta vs tors. theta energy: -53.227
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: 136
Temperature: 1.100000
Total energy: -663.280998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.280998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.280998 (E_RNA)
where:
Base-Base interactions energy: -454.235
where: short stacking energy: -205.208
Base-Backbone interact. energy: 0.604
local terms energy: -209.650498
where:
bonds (distance) C4'-P energy: -41.295
bonds (distance) P-C4' energy: -36.416
flat angles C4'-P-C4' energy: -49.629
flat angles P-C4'-P energy: -26.578
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: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -670.214907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.214907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.214907 (E_RNA)
where:
Base-Base interactions energy: -456.581
where: short stacking energy: -209.146
Base-Backbone interact. energy: -2.431
local terms energy: -211.203421
where:
bonds (distance) C4'-P energy: -43.819
bonds (distance) P-C4' energy: -39.916
flat angles C4'-P-C4' energy: -43.015
flat angles P-C4'-P energy: -26.086
tors. eta vs tors. theta energy: -58.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -616.679466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.679466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.679466 (E_RNA)
where:
Base-Base interactions energy: -405.098
where: short stacking energy: -173.724
Base-Backbone interact. energy: -0.165
local terms energy: -211.416564
where:
bonds (distance) C4'-P energy: -42.283
bonds (distance) P-C4' energy: -42.355
flat angles C4'-P-C4' energy: -44.056
flat angles P-C4'-P energy: -30.411
tors. eta vs tors. theta energy: -52.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -530.696813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.696813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.696813 (E_RNA)
where:
Base-Base interactions energy: -364.488
where: short stacking energy: -151.131
Base-Backbone interact. energy: -0.714
local terms energy: -165.494248
where:
bonds (distance) C4'-P energy: -38.344
bonds (distance) P-C4' energy: -35.951
flat angles C4'-P-C4' energy: -41.043
flat angles P-C4'-P energy: -20.337
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: 9, replica: 4
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -320.649041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.649041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.649041 (E_RNA)
where:
Base-Base interactions energy: -158.519
where: short stacking energy: -90.970
Base-Backbone interact. energy: 1.434
local terms energy: -163.564765
where:
bonds (distance) C4'-P energy: -41.757
bonds (distance) P-C4' energy: -43.324
flat angles C4'-P-C4' energy: -40.861
flat angles P-C4'-P energy: -28.120
tors. eta vs tors. theta energy: -9.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -225.869815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.869815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.869815 (E_RNA)
where:
Base-Base interactions energy: -89.126
where: short stacking energy: -76.513
Base-Backbone interact. energy: 0.236
local terms energy: -136.979296
where:
bonds (distance) C4'-P energy: -41.022
bonds (distance) P-C4' energy: -41.317
flat angles C4'-P-C4' energy: -27.704
flat angles P-C4'-P energy: -20.921
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -849.585015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.585015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.585015 (E_RNA)
where:
Base-Base interactions energy: -592.590
where: short stacking energy: -257.178
Base-Backbone interact. energy: -0.307
local terms energy: -256.688444
where:
bonds (distance) C4'-P energy: -44.546
bonds (distance) P-C4' energy: -46.783
flat angles C4'-P-C4' energy: -49.570
flat angles P-C4'-P energy: -38.542
tors. eta vs tors. theta energy: -77.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -796.608616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.608616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.608616 (E_RNA)
where:
Base-Base interactions energy: -539.899
where: short stacking energy: -229.680
Base-Backbone interact. energy: -1.315
local terms energy: -255.394222
where:
bonds (distance) C4'-P energy: -46.735
bonds (distance) P-C4' energy: -50.345
flat angles C4'-P-C4' energy: -49.486
flat angles P-C4'-P energy: -40.332
tors. eta vs tors. theta energy: -68.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -786.253800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.253800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.253800 (E_RNA)
where:
Base-Base interactions energy: -551.940
where: short stacking energy: -240.115
Base-Backbone interact. energy: -0.526
local terms energy: -233.787507
where:
bonds (distance) C4'-P energy: -44.368
bonds (distance) P-C4' energy: -34.716
flat angles C4'-P-C4' energy: -54.954
flat angles P-C4'-P energy: -34.650
tors. eta vs tors. theta energy: -65.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -739.126359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.126359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.126359 (E_RNA)
where:
Base-Base interactions energy: -502.928
where: short stacking energy: -211.936
Base-Backbone interact. energy: -0.745
local terms energy: -235.453735
where:
bonds (distance) C4'-P energy: -51.267
bonds (distance) P-C4' energy: -43.987
flat angles C4'-P-C4' energy: -50.383
flat angles P-C4'-P energy: -32.423
tors. eta vs tors. theta energy: -57.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -653.637559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.637559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.637559 (E_RNA)
where:
Base-Base interactions energy: -437.789
where: short stacking energy: -192.920
Base-Backbone interact. energy: -0.647
local terms energy: -215.201748
where:
bonds (distance) C4'-P energy: -41.113
bonds (distance) P-C4' energy: -52.410
flat angles C4'-P-C4' energy: -37.359
flat angles P-C4'-P energy: -25.569
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: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -624.672974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.672974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.672974 (E_RNA)
where:
Base-Base interactions energy: -421.114
where: short stacking energy: -191.997
Base-Backbone interact. energy: 1.652
local terms energy: -205.211002
where:
bonds (distance) C4'-P energy: -30.239
bonds (distance) P-C4' energy: -39.461
flat angles C4'-P-C4' energy: -49.070
flat angles P-C4'-P energy: -33.594
tors. eta vs tors. theta energy: -52.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -661.477564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.477564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.477564 (E_RNA)
where:
Base-Base interactions energy: -448.371
where: short stacking energy: -192.675
Base-Backbone interact. energy: -0.302
local terms energy: -212.804535
where:
bonds (distance) C4'-P energy: -43.575
bonds (distance) P-C4' energy: -44.417
flat angles C4'-P-C4' energy: -49.298
flat angles P-C4'-P energy: -21.737
tors. eta vs tors. theta energy: -53.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -550.559613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.559613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.559613 (E_RNA)
where:
Base-Base interactions energy: -380.896
where: short stacking energy: -148.896
Base-Backbone interact. energy: -1.674
local terms energy: -167.990052
where:
bonds (distance) C4'-P energy: -30.064
bonds (distance) P-C4' energy: -45.653
flat angles C4'-P-C4' energy: -39.014
flat angles P-C4'-P energy: -16.745
tors. eta vs tors. theta energy: -36.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -323.926831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.926831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.926831 (E_RNA)
where:
Base-Base interactions energy: -168.578
where: short stacking energy: -89.275
Base-Backbone interact. energy: -2.105
local terms energy: -153.243900
where:
bonds (distance) C4'-P energy: -36.588
bonds (distance) P-C4' energy: -46.049
flat angles C4'-P-C4' energy: -37.700
flat angles P-C4'-P energy: -29.122
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -204.079900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.079900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.079900 (E_RNA)
where:
Base-Base interactions energy: -64.444
where: short stacking energy: -56.038
Base-Backbone interact. energy: 1.165
local terms energy: -140.800221
where:
bonds (distance) C4'-P energy: -41.251
bonds (distance) P-C4' energy: -43.962
flat angles C4'-P-C4' energy: -30.434
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: -2.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -860.703836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.703836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.703836 (E_RNA)
where:
Base-Base interactions energy: -595.259
where: short stacking energy: -258.484
Base-Backbone interact. energy: -0.694
local terms energy: -264.751304
where:
bonds (distance) C4'-P energy: -49.564
bonds (distance) P-C4' energy: -47.865
flat angles C4'-P-C4' energy: -54.934
flat angles P-C4'-P energy: -36.213
tors. eta vs tors. theta energy: -76.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -802.985882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.985882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.985882 (E_RNA)
where:
Base-Base interactions energy: -565.730
where: short stacking energy: -230.958
Base-Backbone interact. energy: -0.197
local terms energy: -237.059554
where:
bonds (distance) C4'-P energy: -51.062
bonds (distance) P-C4' energy: -45.466
flat angles C4'-P-C4' energy: -49.817
flat angles P-C4'-P energy: -31.207
tors. eta vs tors. theta energy: -59.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -769.832447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.832447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.832447 (E_RNA)
where:
Base-Base interactions energy: -534.929
where: short stacking energy: -206.587
Base-Backbone interact. energy: -0.312
local terms energy: -234.591168
where:
bonds (distance) C4'-P energy: -47.761
bonds (distance) P-C4' energy: -45.734
flat angles C4'-P-C4' energy: -47.437
flat angles P-C4'-P energy: -35.366
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: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -712.649382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.649382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.649382 (E_RNA)
where:
Base-Base interactions energy: -502.308
where: short stacking energy: -212.696
Base-Backbone interact. energy: -0.704
local terms energy: -209.637868
where:
bonds (distance) C4'-P energy: -40.852
bonds (distance) P-C4' energy: -42.740
flat angles C4'-P-C4' energy: -45.180
flat angles P-C4'-P energy: -27.704
tors. eta vs tors. theta energy: -53.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -669.181314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.181314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.181314 (E_RNA)
where:
Base-Base interactions energy: -453.421
where: short stacking energy: -193.641
Base-Backbone interact. energy: -0.340
local terms energy: -215.420035
where:
bonds (distance) C4'-P energy: -30.439
bonds (distance) P-C4' energy: -43.048
flat angles C4'-P-C4' energy: -50.983
flat angles P-C4'-P energy: -36.797
tors. eta vs tors. theta energy: -54.152
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: 6, replica: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -641.482050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.482050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.482050 (E_RNA)
where:
Base-Base interactions energy: -433.390
where: short stacking energy: -205.303
Base-Backbone interact. energy: -0.904
local terms energy: -207.188083
where:
bonds (distance) C4'-P energy: -47.665
bonds (distance) P-C4' energy: -42.236
flat angles C4'-P-C4' energy: -41.479
flat angles P-C4'-P energy: -22.493
tors. eta vs tors. theta energy: -53.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -638.215828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.215828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.215828 (E_RNA)
where:
Base-Base interactions energy: -433.086
where: short stacking energy: -188.854
Base-Backbone interact. energy: -1.761
local terms energy: -203.368779
where:
bonds (distance) C4'-P energy: -35.849
bonds (distance) P-C4' energy: -34.718
flat angles C4'-P-C4' energy: -45.910
flat angles P-C4'-P energy: -30.432
tors. eta vs tors. theta energy: -56.460
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: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -567.139014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.139014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.139014 (E_RNA)
where:
Base-Base interactions energy: -381.662
where: short stacking energy: -154.394
Base-Backbone interact. energy: 1.404
local terms energy: -186.880201
where:
bonds (distance) C4'-P energy: -33.696
bonds (distance) P-C4' energy: -41.845
flat angles C4'-P-C4' energy: -35.357
flat angles P-C4'-P energy: -32.597
tors. eta vs tors. theta energy: -43.385
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: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -236.730048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.730048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.730048 (E_RNA)
where:
Base-Base interactions energy: -93.345
where: short stacking energy: -83.182
Base-Backbone interact. energy: -1.012
local terms energy: -142.372163
where:
bonds (distance) C4'-P energy: -33.639
bonds (distance) P-C4' energy: -45.511
flat angles C4'-P-C4' energy: -34.890
flat angles P-C4'-P energy: -22.565
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -354.522217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.522217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.522217 (E_RNA)
where:
Base-Base interactions energy: -199.179
where: short stacking energy: -106.691
Base-Backbone interact. energy: -0.781
local terms energy: -154.562612
where:
bonds (distance) C4'-P energy: -32.668
bonds (distance) P-C4' energy: -39.156
flat angles C4'-P-C4' energy: -42.752
flat angles P-C4'-P energy: -21.418
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -857.885621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.885621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.885621 (E_RNA)
where:
Base-Base interactions energy: -599.322
where: short stacking energy: -267.711
Base-Backbone interact. energy: 0.259
local terms energy: -258.823456
where:
bonds (distance) C4'-P energy: -46.584
bonds (distance) P-C4' energy: -44.939
flat angles C4'-P-C4' energy: -46.787
flat angles P-C4'-P energy: -39.156
tors. eta vs tors. theta energy: -81.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -809.434254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.434254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.434254 (E_RNA)
where:
Base-Base interactions energy: -567.563
where: short stacking energy: -237.677
Base-Backbone interact. energy: -0.502
local terms energy: -241.369703
where:
bonds (distance) C4'-P energy: -46.680
bonds (distance) P-C4' energy: -41.946
flat angles C4'-P-C4' energy: -51.658
flat angles P-C4'-P energy: -38.073
tors. eta vs tors. theta energy: -63.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -774.051205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.051205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.051205 (E_RNA)
where:
Base-Base interactions energy: -535.610
where: short stacking energy: -218.994
Base-Backbone interact. energy: 0.054
local terms energy: -238.495537
where:
bonds (distance) C4'-P energy: -40.177
bonds (distance) P-C4' energy: -43.634
flat angles C4'-P-C4' energy: -56.652
flat angles P-C4'-P energy: -36.062
tors. eta vs tors. theta energy: -61.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -702.784213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.784213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.784213 (E_RNA)
where:
Base-Base interactions energy: -486.674
where: short stacking energy: -213.785
Base-Backbone interact. energy: 1.360
local terms energy: -217.470540
where:
bonds (distance) C4'-P energy: -44.104
bonds (distance) P-C4' energy: -40.963
flat angles C4'-P-C4' energy: -47.233
flat angles P-C4'-P energy: -26.025
tors. eta vs tors. theta energy: -59.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -649.479913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.479913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.479913 (E_RNA)
where:
Base-Base interactions energy: -437.356
where: short stacking energy: -215.949
Base-Backbone interact. energy: 2.230
local terms energy: -214.353610
where:
bonds (distance) C4'-P energy: -34.243
bonds (distance) P-C4' energy: -42.391
flat angles C4'-P-C4' energy: -46.366
flat angles P-C4'-P energy: -34.407
tors. eta vs tors. theta energy: -56.948
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: 139
Temperature: 1.150000
Total energy: -656.286055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.286055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.286055 (E_RNA)
where:
Base-Base interactions energy: -460.641
where: short stacking energy: -193.733
Base-Backbone interact. energy: -1.357
local terms energy: -194.288051
where:
bonds (distance) C4'-P energy: -34.092
bonds (distance) P-C4' energy: -35.885
flat angles C4'-P-C4' energy: -50.224
flat angles P-C4'-P energy: -27.354
tors. eta vs tors. theta energy: -46.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -596.185827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.185827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.185827 (E_RNA)
where:
Base-Base interactions energy: -388.045
where: short stacking energy: -180.309
Base-Backbone interact. energy: -2.788
local terms energy: -205.353160
where:
bonds (distance) C4'-P energy: -39.601
bonds (distance) P-C4' energy: -41.940
flat angles C4'-P-C4' energy: -51.342
flat angles P-C4'-P energy: -30.125
tors. eta vs tors. theta energy: -42.344
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: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -563.245916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.245916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.245916 (E_RNA)
where:
Base-Base interactions energy: -373.620
where: short stacking energy: -174.130
Base-Backbone interact. energy: -0.576
local terms energy: -189.049619
where:
bonds (distance) C4'-P energy: -37.484
bonds (distance) P-C4' energy: -38.440
flat angles C4'-P-C4' energy: -40.662
flat angles P-C4'-P energy: -25.467
tors. eta vs tors. theta energy: -46.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -260.979487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.979487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.979487 (E_RNA)
where:
Base-Base interactions energy: -112.020
where: short stacking energy: -67.121
Base-Backbone interact. energy: -0.753
local terms energy: -148.206095
where:
bonds (distance) C4'-P energy: -43.022
bonds (distance) P-C4' energy: -42.204
flat angles C4'-P-C4' energy: -37.995
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -352.190675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.190675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.190675 (E_RNA)
where:
Base-Base interactions energy: -215.060
where: short stacking energy: -98.279
Base-Backbone interact. energy: 4.874
local terms energy: -142.003929
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -34.450
flat angles C4'-P-C4' energy: -36.817
flat angles P-C4'-P energy: -27.456
tors. eta vs tors. theta energy: -19.623
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: 1, replica: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -843.300008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.300008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.300008 (E_RNA)
where:
Base-Base interactions energy: -595.697
where: short stacking energy: -252.895
Base-Backbone interact. energy: -0.199
local terms energy: -247.403294
where:
bonds (distance) C4'-P energy: -41.799
bonds (distance) P-C4' energy: -43.397
flat angles C4'-P-C4' energy: -55.624
flat angles P-C4'-P energy: -35.194
tors. eta vs tors. theta energy: -71.389
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: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -793.706460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.706460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.706460 (E_RNA)
where:
Base-Base interactions energy: -556.195
where: short stacking energy: -226.141
Base-Backbone interact. energy: -1.090
local terms energy: -236.421431
where:
bonds (distance) C4'-P energy: -45.823
bonds (distance) P-C4' energy: -44.118
flat angles C4'-P-C4' energy: -49.818
flat angles P-C4'-P energy: -31.473
tors. eta vs tors. theta energy: -65.190
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: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -780.744333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.744333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.744333 (E_RNA)
where:
Base-Base interactions energy: -532.965
where: short stacking energy: -219.497
Base-Backbone interact. energy: 1.554
local terms energy: -249.333666
where:
bonds (distance) C4'-P energy: -44.335
bonds (distance) P-C4' energy: -45.014
flat angles C4'-P-C4' energy: -56.370
flat angles P-C4'-P energy: -41.341
tors. eta vs tors. theta energy: -62.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -691.638455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.638455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.638455 (E_RNA)
where:
Base-Base interactions energy: -485.460
where: short stacking energy: -208.826
Base-Backbone interact. energy: -0.775
local terms energy: -205.403235
where:
bonds (distance) C4'-P energy: -43.409
bonds (distance) P-C4' energy: -44.070
flat angles C4'-P-C4' energy: -43.364
flat angles P-C4'-P energy: -23.550
tors. eta vs tors. theta energy: -51.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -699.899227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.899227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.899227 (E_RNA)
where:
Base-Base interactions energy: -472.187
where: short stacking energy: -197.335
Base-Backbone interact. energy: 0.436
local terms energy: -228.148417
where:
bonds (distance) C4'-P energy: -49.702
bonds (distance) P-C4' energy: -52.489
flat angles C4'-P-C4' energy: -36.807
flat angles P-C4'-P energy: -36.837
tors. eta vs tors. theta energy: -52.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -628.813682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.813682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.813682 (E_RNA)
where:
Base-Base interactions energy: -417.698
where: short stacking energy: -196.192
Base-Backbone interact. energy: 1.148
local terms energy: -212.264095
where:
bonds (distance) C4'-P energy: -36.838
bonds (distance) P-C4' energy: -43.033
flat angles C4'-P-C4' energy: -49.019
flat angles P-C4'-P energy: -31.376
tors. eta vs tors. theta energy: -51.998
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: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -564.238279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.238279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.238279 (E_RNA)
where:
Base-Base interactions energy: -374.467
where: short stacking energy: -179.142
Base-Backbone interact. energy: 3.619
local terms energy: -193.390156
where:
bonds (distance) C4'-P energy: -24.359
bonds (distance) P-C4' energy: -48.403
flat angles C4'-P-C4' energy: -45.698
flat angles P-C4'-P energy: -32.962
tors. eta vs tors. theta energy: -41.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -497.418594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.418594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.418594 (E_RNA)
where:
Base-Base interactions energy: -326.228
where: short stacking energy: -148.085
Base-Backbone interact. energy: 3.132
local terms energy: -174.322484
where:
bonds (distance) C4'-P energy: -30.074
bonds (distance) P-C4' energy: -49.690
flat angles C4'-P-C4' energy: -36.906
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -37.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -338.013652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.013652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.013652 (E_RNA)
where:
Base-Base interactions energy: -205.043
where: short stacking energy: -126.290
Base-Backbone interact. energy: 0.500
local terms energy: -133.469931
where:
bonds (distance) C4'-P energy: -33.485
bonds (distance) P-C4' energy: -35.915
flat angles C4'-P-C4' energy: -39.310
flat angles P-C4'-P energy: -18.543
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: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -224.606698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.606698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.606698 (E_RNA)
where:
Base-Base interactions energy: -93.937
where: short stacking energy: -62.313
Base-Backbone interact. energy: -1.737
local terms energy: -128.933388
where:
bonds (distance) C4'-P energy: -31.930
bonds (distance) P-C4' energy: -38.337
flat angles C4'-P-C4' energy: -37.652
flat angles P-C4'-P energy: -21.668
tors. eta vs tors. theta energy: 0.652
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: 1, replica: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -843.213290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.213290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.213290 (E_RNA)
where:
Base-Base interactions energy: -589.242
where: short stacking energy: -249.843
Base-Backbone interact. energy: -0.938
local terms energy: -253.033410
where:
bonds (distance) C4'-P energy: -43.658
bonds (distance) P-C4' energy: -49.188
flat angles C4'-P-C4' energy: -49.742
flat angles P-C4'-P energy: -35.468
tors. eta vs tors. theta energy: -74.978
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: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -794.719088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.719088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.719088 (E_RNA)
where:
Base-Base interactions energy: -555.788
where: short stacking energy: -236.725
Base-Backbone interact. energy: -2.379
local terms energy: -236.551710
where:
bonds (distance) C4'-P energy: -46.900
bonds (distance) P-C4' energy: -39.999
flat angles C4'-P-C4' energy: -52.342
flat angles P-C4'-P energy: -34.595
tors. eta vs tors. theta energy: -62.717
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: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -797.434433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.434433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.434433 (E_RNA)
where:
Base-Base interactions energy: -564.555
where: short stacking energy: -235.167
Base-Backbone interact. energy: -1.069
local terms energy: -231.810925
where:
bonds (distance) C4'-P energy: -44.994
bonds (distance) P-C4' energy: -45.559
flat angles C4'-P-C4' energy: -48.953
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -61.415
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: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -717.685444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.685444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.685444 (E_RNA)
where:
Base-Base interactions energy: -490.051
where: short stacking energy: -222.317
Base-Backbone interact. energy: -0.198
local terms energy: -227.436717
where:
bonds (distance) C4'-P energy: -41.535
bonds (distance) P-C4' energy: -44.401
flat angles C4'-P-C4' energy: -51.337
flat angles P-C4'-P energy: -32.024
tors. eta vs tors. theta energy: -58.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -674.588439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.588439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.588439 (E_RNA)
where:
Base-Base interactions energy: -471.624
where: short stacking energy: -210.887
Base-Backbone interact. energy: 0.304
local terms energy: -203.269016
where:
bonds (distance) C4'-P energy: -38.738
bonds (distance) P-C4' energy: -35.133
flat angles C4'-P-C4' energy: -47.312
flat angles P-C4'-P energy: -24.899
tors. eta vs tors. theta energy: -57.186
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: 141
Temperature: 1.150000
Total energy: -633.689732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.689732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.689732 (E_RNA)
where:
Base-Base interactions energy: -434.212
where: short stacking energy: -198.190
Base-Backbone interact. energy: 0.882
local terms energy: -200.360233
where:
bonds (distance) C4'-P energy: -35.868
bonds (distance) P-C4' energy: -40.389
flat angles C4'-P-C4' energy: -47.773
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: -55.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -549.174841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.174841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.174841 (E_RNA)
where:
Base-Base interactions energy: -373.043
where: short stacking energy: -157.929
Base-Backbone interact. energy: -0.814
local terms energy: -175.317436
where:
bonds (distance) C4'-P energy: -42.320
bonds (distance) P-C4' energy: -38.296
flat angles C4'-P-C4' energy: -38.544
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -36.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -478.849915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.849915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.849915 (E_RNA)
where:
Base-Base interactions energy: -305.607
where: short stacking energy: -143.137
Base-Backbone interact. energy: -0.249
local terms energy: -172.993576
where:
bonds (distance) C4'-P energy: -36.081
bonds (distance) P-C4' energy: -41.822
flat angles C4'-P-C4' energy: -33.824
flat angles P-C4'-P energy: -27.545
tors. eta vs tors. theta energy: -33.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -322.589927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.589927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.589927 (E_RNA)
where:
Base-Base interactions energy: -176.585
where: short stacking energy: -104.750
Base-Backbone interact. energy: 0.553
local terms energy: -146.557860
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -45.285
flat angles C4'-P-C4' energy: -40.929
flat angles P-C4'-P energy: -21.473
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -210.171649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.171649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.171649 (E_RNA)
where:
Base-Base interactions energy: -76.615
where: short stacking energy: -65.057
Base-Backbone interact. energy: -1.497
local terms energy: -132.059213
where:
bonds (distance) C4'-P energy: -25.260
bonds (distance) P-C4' energy: -49.337
flat angles C4'-P-C4' energy: -33.346
flat angles P-C4'-P energy: -24.987
tors. eta vs tors. theta energy: 0.870
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: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -846.303123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.303123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.303123 (E_RNA)
where:
Base-Base interactions energy: -573.282
where: short stacking energy: -250.430
Base-Backbone interact. energy: 0.474
local terms energy: -273.494430
where:
bonds (distance) C4'-P energy: -49.589
bonds (distance) P-C4' energy: -51.073
flat angles C4'-P-C4' energy: -50.866
flat angles P-C4'-P energy: -42.157
tors. eta vs tors. theta energy: -79.810
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: 7
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -794.686349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.686349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.686349 (E_RNA)
where:
Base-Base interactions energy: -549.518
where: short stacking energy: -220.114
Base-Backbone interact. energy: -0.967
local terms energy: -244.201792
where:
bonds (distance) C4'-P energy: -43.673
bonds (distance) P-C4' energy: -51.264
flat angles C4'-P-C4' energy: -49.462
flat angles P-C4'-P energy: -34.791
tors. eta vs tors. theta energy: -65.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -780.164788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.164788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.164788 (E_RNA)
where:
Base-Base interactions energy: -543.085
where: short stacking energy: -225.677
Base-Backbone interact. energy: -0.249
local terms energy: -236.830468
where:
bonds (distance) C4'-P energy: -44.281
bonds (distance) P-C4' energy: -40.059
flat angles C4'-P-C4' energy: -53.792
flat angles P-C4'-P energy: -35.531
tors. eta vs tors. theta energy: -63.166
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: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -709.348683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.348683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.348683 (E_RNA)
where:
Base-Base interactions energy: -482.098
where: short stacking energy: -212.616
Base-Backbone interact. energy: -0.306
local terms energy: -226.945336
where:
bonds (distance) C4'-P energy: -44.806
bonds (distance) P-C4' energy: -44.736
flat angles C4'-P-C4' energy: -53.640
flat angles P-C4'-P energy: -34.459
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: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -661.216620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.216620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.216620 (E_RNA)
where:
Base-Base interactions energy: -437.399
where: short stacking energy: -194.587
Base-Backbone interact. energy: -0.819
local terms energy: -222.998487
where:
bonds (distance) C4'-P energy: -44.156
bonds (distance) P-C4' energy: -43.054
flat angles C4'-P-C4' energy: -42.255
flat angles P-C4'-P energy: -31.900
tors. eta vs tors. theta energy: -61.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -655.617579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.617579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.617579 (E_RNA)
where:
Base-Base interactions energy: -447.648
where: short stacking energy: -186.122
Base-Backbone interact. energy: -1.482
local terms energy: -206.487855
where:
bonds (distance) C4'-P energy: -31.322
bonds (distance) P-C4' energy: -46.199
flat angles C4'-P-C4' energy: -43.923
flat angles P-C4'-P energy: -26.202
tors. eta vs tors. theta energy: -58.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -543.172119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.172119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.172119 (E_RNA)
where:
Base-Base interactions energy: -374.531
where: short stacking energy: -173.773
Base-Backbone interact. energy: -1.765
local terms energy: -166.875768
where:
bonds (distance) C4'-P energy: -28.114
bonds (distance) P-C4' energy: -33.810
flat angles C4'-P-C4' energy: -36.625
flat angles P-C4'-P energy: -25.813
tors. eta vs tors. theta energy: -42.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -459.499005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.499005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.499005 (E_RNA)
where:
Base-Base interactions energy: -278.990
where: short stacking energy: -132.126
Base-Backbone interact. energy: -0.999
local terms energy: -179.510716
where:
bonds (distance) C4'-P energy: -44.720
bonds (distance) P-C4' energy: -39.546
flat angles C4'-P-C4' energy: -38.883
flat angles P-C4'-P energy: -24.582
tors. eta vs tors. theta energy: -31.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -322.437162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.437162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.437162 (E_RNA)
where:
Base-Base interactions energy: -183.085
where: short stacking energy: -95.846
Base-Backbone interact. energy: 1.036
local terms energy: -140.388469
where:
bonds (distance) C4'-P energy: -39.007
bonds (distance) P-C4' energy: -32.309
flat angles C4'-P-C4' energy: -33.327
flat angles P-C4'-P energy: -27.749
tors. eta vs tors. theta energy: -7.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -195.917872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.917872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.917872 (E_RNA)
where:
Base-Base interactions energy: -59.660
where: short stacking energy: -49.547
Base-Backbone interact. energy: 2.399
local terms energy: -138.656478
where:
bonds (distance) C4'-P energy: -40.795
bonds (distance) P-C4' energy: -32.283
flat angles C4'-P-C4' energy: -39.806
flat angles P-C4'-P energy: -25.248
tors. eta vs tors. theta energy: -0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -828.056346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.056346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.056346 (E_RNA)
where:
Base-Base interactions energy: -586.598
where: short stacking energy: -252.312
Base-Backbone interact. energy: -0.111
local terms energy: -241.347408
where:
bonds (distance) C4'-P energy: -33.827
bonds (distance) P-C4' energy: -40.971
flat angles C4'-P-C4' energy: -58.681
flat angles P-C4'-P energy: -33.074
tors. eta vs tors. theta energy: -74.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -810.739511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.739511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.739511 (E_RNA)
where:
Base-Base interactions energy: -557.041
where: short stacking energy: -238.437
Base-Backbone interact. energy: -0.996
local terms energy: -252.702880
where:
bonds (distance) C4'-P energy: -47.207
bonds (distance) P-C4' energy: -42.528
flat angles C4'-P-C4' energy: -58.279
flat angles P-C4'-P energy: -39.097
tors. eta vs tors. theta energy: -65.592
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: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -791.759468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.759468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.759468 (E_RNA)
where:
Base-Base interactions energy: -555.812
where: short stacking energy: -228.736
Base-Backbone interact. energy: -2.521
local terms energy: -233.425877
where:
bonds (distance) C4'-P energy: -43.321
bonds (distance) P-C4' energy: -45.494
flat angles C4'-P-C4' energy: -49.992
flat angles P-C4'-P energy: -31.836
tors. eta vs tors. theta energy: -62.783
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: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -749.543986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.543986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.543986 (E_RNA)
where:
Base-Base interactions energy: -532.752
where: short stacking energy: -239.831
Base-Backbone interact. energy: -0.531
local terms energy: -216.261298
where:
bonds (distance) C4'-P energy: -35.313
bonds (distance) P-C4' energy: -39.573
flat angles C4'-P-C4' energy: -49.251
flat angles P-C4'-P energy: -26.330
tors. eta vs tors. theta energy: -65.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -686.793695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.793695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.793695 (E_RNA)
where:
Base-Base interactions energy: -465.686
where: short stacking energy: -199.123
Base-Backbone interact. energy: -1.440
local terms energy: -219.667491
where:
bonds (distance) C4'-P energy: -44.325
bonds (distance) P-C4' energy: -43.890
flat angles C4'-P-C4' energy: -48.770
flat angles P-C4'-P energy: -35.654
tors. eta vs tors. theta energy: -47.028
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: 2
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -646.510239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.510239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.510239 (E_RNA)
where:
Base-Base interactions energy: -443.639
where: short stacking energy: -180.240
Base-Backbone interact. energy: -1.085
local terms energy: -201.786007
where:
bonds (distance) C4'-P energy: -35.358
bonds (distance) P-C4' energy: -47.296
flat angles C4'-P-C4' energy: -42.923
flat angles P-C4'-P energy: -32.491
tors. eta vs tors. theta energy: -43.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -584.404900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.404900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.404900 (E_RNA)
where:
Base-Base interactions energy: -385.907
where: short stacking energy: -153.282
Base-Backbone interact. energy: -1.292
local terms energy: -197.205718
where:
bonds (distance) C4'-P energy: -43.692
bonds (distance) P-C4' energy: -40.620
flat angles C4'-P-C4' energy: -41.750
flat angles P-C4'-P energy: -28.257
tors. eta vs tors. theta energy: -42.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -423.626972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.626972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.626972 (E_RNA)
where:
Base-Base interactions energy: -254.430
where: short stacking energy: -125.334
Base-Backbone interact. energy: -0.693
local terms energy: -168.504079
where:
bonds (distance) C4'-P energy: -45.397
bonds (distance) P-C4' energy: -46.504
flat angles C4'-P-C4' energy: -31.944
flat angles P-C4'-P energy: -20.918
tors. eta vs tors. theta energy: -23.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -295.487402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.487402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.487402 (E_RNA)
where:
Base-Base interactions energy: -160.177
where: short stacking energy: -96.282
Base-Backbone interact. energy: -0.134
local terms energy: -135.176446
where:
bonds (distance) C4'-P energy: -35.865
bonds (distance) P-C4' energy: -33.195
flat angles C4'-P-C4' energy: -28.774
flat angles P-C4'-P energy: -19.182
tors. eta vs tors. theta energy: -18.161
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: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -229.515062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.515062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.515062 (E_RNA)
where:
Base-Base interactions energy: -83.286
where: short stacking energy: -62.486
Base-Backbone interact. energy: -1.331
local terms energy: -144.897541
where:
bonds (distance) C4'-P energy: -44.888
bonds (distance) P-C4' energy: -48.153
flat angles C4'-P-C4' energy: -28.807
flat angles P-C4'-P energy: -25.407
tors. eta vs tors. theta energy: 2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -823.958048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.958048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.958048 (E_RNA)
where:
Base-Base interactions energy: -580.204
where: short stacking energy: -230.521
Base-Backbone interact. energy: -1.128
local terms energy: -242.626177
where:
bonds (distance) C4'-P energy: -51.086
bonds (distance) P-C4' energy: -44.158
flat angles C4'-P-C4' energy: -56.301
flat angles P-C4'-P energy: -33.332
tors. eta vs tors. theta energy: -57.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -820.882468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.882468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.882468 (E_RNA)
where:
Base-Base interactions energy: -577.061
where: short stacking energy: -259.840
Base-Backbone interact. energy: 0.283
local terms energy: -244.105254
where:
bonds (distance) C4'-P energy: -52.216
bonds (distance) P-C4' energy: -50.984
flat angles C4'-P-C4' energy: -48.933
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -72.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -758.973760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.973760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.973760 (E_RNA)
where:
Base-Base interactions energy: -522.944
where: short stacking energy: -232.047
Base-Backbone interact. energy: -0.146
local terms energy: -235.883475
where:
bonds (distance) C4'-P energy: -39.271
bonds (distance) P-C4' energy: -39.536
flat angles C4'-P-C4' energy: -54.774
flat angles P-C4'-P energy: -33.423
tors. eta vs tors. theta energy: -68.879
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: 4, replica: 8
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -755.579373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.579373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.579373 (E_RNA)
where:
Base-Base interactions energy: -545.883
where: short stacking energy: -222.672
Base-Backbone interact. energy: -1.901
local terms energy: -207.794429
where:
bonds (distance) C4'-P energy: -40.215
bonds (distance) P-C4' energy: -35.977
flat angles C4'-P-C4' energy: -48.494
flat angles P-C4'-P energy: -28.291
tors. eta vs tors. theta energy: -54.817
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: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -695.884892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.884892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.884892 (E_RNA)
where:
Base-Base interactions energy: -467.670
where: short stacking energy: -215.822
Base-Backbone interact. energy: -0.538
local terms energy: -227.676263
where:
bonds (distance) C4'-P energy: -39.175
bonds (distance) P-C4' energy: -44.836
flat angles C4'-P-C4' energy: -47.813
flat angles P-C4'-P energy: -35.805
tors. eta vs tors. theta energy: -60.048
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: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -632.481967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.481967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.481967 (E_RNA)
where:
Base-Base interactions energy: -428.480
where: short stacking energy: -199.580
Base-Backbone interact. energy: -0.453
local terms energy: -203.549384
where:
bonds (distance) C4'-P energy: -37.394
bonds (distance) P-C4' energy: -37.860
flat angles C4'-P-C4' energy: -40.978
flat angles P-C4'-P energy: -29.110
tors. eta vs tors. theta energy: -58.207
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: 7, replica: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -555.505379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.505379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.505379 (E_RNA)
where:
Base-Base interactions energy: -358.076
where: short stacking energy: -169.870
Base-Backbone interact. energy: -1.249
local terms energy: -196.180437
where:
bonds (distance) C4'-P energy: -39.801
bonds (distance) P-C4' energy: -35.163
flat angles C4'-P-C4' energy: -43.741
flat angles P-C4'-P energy: -30.936
tors. eta vs tors. theta energy: -46.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -421.164898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.164898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.164898 (E_RNA)
where:
Base-Base interactions energy: -250.453
where: short stacking energy: -119.426
Base-Backbone interact. energy: -1.580
local terms energy: -169.132013
where:
bonds (distance) C4'-P energy: -41.706
bonds (distance) P-C4' energy: -36.202
flat angles C4'-P-C4' energy: -44.740
flat angles P-C4'-P energy: -27.951
tors. eta vs tors. theta energy: -18.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -304.566629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.566629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.566629 (E_RNA)
where:
Base-Base interactions energy: -162.704
where: short stacking energy: -100.236
Base-Backbone interact. energy: -0.699
local terms energy: -141.162778
where:
bonds (distance) C4'-P energy: -41.437
bonds (distance) P-C4' energy: -41.148
flat angles C4'-P-C4' energy: -29.709
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: -11.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -221.586943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.586943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.586943 (E_RNA)
where:
Base-Base interactions energy: -82.895
where: short stacking energy: -55.223
Base-Backbone interact. energy: -1.335
local terms energy: -137.356047
where:
bonds (distance) C4'-P energy: -45.875
bonds (distance) P-C4' energy: -46.553
flat angles C4'-P-C4' energy: -37.421
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: 8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -835.686881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.686881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.686881 (E_RNA)
where:
Base-Base interactions energy: -580.599
where: short stacking energy: -242.349
Base-Backbone interact. energy: -1.207
local terms energy: -253.880314
where:
bonds (distance) C4'-P energy: -45.405
bonds (distance) P-C4' energy: -46.877
flat angles C4'-P-C4' energy: -59.381
flat angles P-C4'-P energy: -36.752
tors. eta vs tors. theta energy: -65.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -831.634754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.634754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.634754 (E_RNA)
where:
Base-Base interactions energy: -580.216
where: short stacking energy: -259.230
Base-Backbone interact. energy: 0.065
local terms energy: -251.484010
where:
bonds (distance) C4'-P energy: -41.874
bonds (distance) P-C4' energy: -43.471
flat angles C4'-P-C4' energy: -54.927
flat angles P-C4'-P energy: -36.594
tors. eta vs tors. theta energy: -74.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -746.176385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.176385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.176385 (E_RNA)
where:
Base-Base interactions energy: -509.380
where: short stacking energy: -229.344
Base-Backbone interact. energy: -0.143
local terms energy: -236.654180
where:
bonds (distance) C4'-P energy: -33.619
bonds (distance) P-C4' energy: -42.067
flat angles C4'-P-C4' energy: -50.952
flat angles P-C4'-P energy: -40.606
tors. eta vs tors. theta energy: -69.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -759.295939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.295939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.295939 (E_RNA)
where:
Base-Base interactions energy: -530.113
where: short stacking energy: -215.588
Base-Backbone interact. energy: 0.497
local terms energy: -229.679145
where:
bonds (distance) C4'-P energy: -39.125
bonds (distance) P-C4' energy: -39.157
flat angles C4'-P-C4' energy: -47.545
flat angles P-C4'-P energy: -41.169
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: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -684.056184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.056184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.056184 (E_RNA)
where:
Base-Base interactions energy: -471.207
where: short stacking energy: -222.906
Base-Backbone interact. energy: 1.767
local terms energy: -214.615531
where:
bonds (distance) C4'-P energy: -36.835
bonds (distance) P-C4' energy: -47.411
flat angles C4'-P-C4' energy: -46.958
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -59.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -620.056133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.056133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.056133 (E_RNA)
where:
Base-Base interactions energy: -418.378
where: short stacking energy: -184.626
Base-Backbone interact. energy: -1.946
local terms energy: -199.731961
where:
bonds (distance) C4'-P energy: -37.469
bonds (distance) P-C4' energy: -49.679
flat angles C4'-P-C4' energy: -34.566
flat angles P-C4'-P energy: -27.326
tors. eta vs tors. theta energy: -50.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -558.785090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.785090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.785090 (E_RNA)
where:
Base-Base interactions energy: -381.566
where: short stacking energy: -176.762
Base-Backbone interact. energy: -0.489
local terms energy: -176.729460
where:
bonds (distance) C4'-P energy: -34.120
bonds (distance) P-C4' energy: -40.311
flat angles C4'-P-C4' energy: -33.987
flat angles P-C4'-P energy: -29.732
tors. eta vs tors. theta energy: -38.580
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: 8, replica: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -454.150835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.150835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.150835 (E_RNA)
where:
Base-Base interactions energy: -288.992
where: short stacking energy: -130.018
Base-Backbone interact. energy: 0.953
local terms energy: -166.111850
where:
bonds (distance) C4'-P energy: -41.941
bonds (distance) P-C4' energy: -38.100
flat angles C4'-P-C4' energy: -28.020
flat angles P-C4'-P energy: -29.453
tors. eta vs tors. theta energy: -28.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -323.732949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.732949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.732949 (E_RNA)
where:
Base-Base interactions energy: -178.376
where: short stacking energy: -101.625
Base-Backbone interact. energy: -1.172
local terms energy: -144.185554
where:
bonds (distance) C4'-P energy: -36.532
bonds (distance) P-C4' energy: -38.224
flat angles C4'-P-C4' energy: -34.777
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -12.849
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: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -213.886750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.886750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.886750 (E_RNA)
where:
Base-Base interactions energy: -72.986
where: short stacking energy: -54.677
Base-Backbone interact. energy: -0.477
local terms energy: -140.423136
where:
bonds (distance) C4'-P energy: -36.769
bonds (distance) P-C4' energy: -39.187
flat angles C4'-P-C4' energy: -35.664
flat angles P-C4'-P energy: -26.225
tors. eta vs tors. theta energy: -2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -833.513254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.513254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.513254 (E_RNA)
where:
Base-Base interactions energy: -575.781
where: short stacking energy: -245.445
Base-Backbone interact. energy: -0.492
local terms energy: -257.240427
where:
bonds (distance) C4'-P energy: -41.883
bonds (distance) P-C4' energy: -51.632
flat angles C4'-P-C4' energy: -54.620
flat angles P-C4'-P energy: -29.732
tors. eta vs tors. theta energy: -79.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -816.994470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.994470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.994470 (E_RNA)
where:
Base-Base interactions energy: -574.507
where: short stacking energy: -224.402
Base-Backbone interact. energy: -2.690
local terms energy: -239.797473
where:
bonds (distance) C4'-P energy: -43.094
bonds (distance) P-C4' energy: -51.750
flat angles C4'-P-C4' energy: -47.909
flat angles P-C4'-P energy: -36.919
tors. eta vs tors. theta energy: -60.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -762.193905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.193905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.193905 (E_RNA)
where:
Base-Base interactions energy: -524.720
where: short stacking energy: -232.221
Base-Backbone interact. energy: -0.257
local terms energy: -237.216810
where:
bonds (distance) C4'-P energy: -42.252
bonds (distance) P-C4' energy: -44.750
flat angles C4'-P-C4' energy: -48.739
flat angles P-C4'-P energy: -33.330
tors. eta vs tors. theta energy: -68.145
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: 146
Temperature: 1.050000
Total energy: -762.135116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.135116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.135116 (E_RNA)
where:
Base-Base interactions energy: -544.099
where: short stacking energy: -219.242
Base-Backbone interact. energy: -0.854
local terms energy: -217.182556
where:
bonds (distance) C4'-P energy: -35.397
bonds (distance) P-C4' energy: -42.593
flat angles C4'-P-C4' energy: -45.222
flat angles P-C4'-P energy: -30.960
tors. eta vs tors. theta energy: -63.009
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: 146
Temperature: 1.100000
Total energy: -681.015096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.015096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.015096 (E_RNA)
where:
Base-Base interactions energy: -468.017
where: short stacking energy: -210.288
Base-Backbone interact. energy: -0.488
local terms energy: -212.509415
where:
bonds (distance) C4'-P energy: -34.448
bonds (distance) P-C4' energy: -43.646
flat angles C4'-P-C4' energy: -54.108
flat angles P-C4'-P energy: -28.282
tors. eta vs tors. theta energy: -52.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -638.061961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.061961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.061961 (E_RNA)
where:
Base-Base interactions energy: -427.671
where: short stacking energy: -210.890
Base-Backbone interact. energy: -0.208
local terms energy: -210.182455
where:
bonds (distance) C4'-P energy: -30.806
bonds (distance) P-C4' energy: -41.257
flat angles C4'-P-C4' energy: -46.393
flat angles P-C4'-P energy: -32.206
tors. eta vs tors. theta energy: -59.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -584.335700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.335700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.335700 (E_RNA)
where:
Base-Base interactions energy: -379.672
where: short stacking energy: -183.987
Base-Backbone interact. energy: 0.620
local terms energy: -205.283660
where:
bonds (distance) C4'-P energy: -38.967
bonds (distance) P-C4' energy: -46.837
flat angles C4'-P-C4' energy: -40.702
flat angles P-C4'-P energy: -28.836
tors. eta vs tors. theta energy: -49.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -452.754280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.754280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.754280 (E_RNA)
where:
Base-Base interactions energy: -281.821
where: short stacking energy: -132.273
Base-Backbone interact. energy: 0.203
local terms energy: -171.135653
where:
bonds (distance) C4'-P energy: -43.041
bonds (distance) P-C4' energy: -42.901
flat angles C4'-P-C4' energy: -40.438
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -30.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -361.442584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.442584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.442584 (E_RNA)
where:
Base-Base interactions energy: -214.383
where: short stacking energy: -102.896
Base-Backbone interact. energy: 2.246
local terms energy: -149.305928
where:
bonds (distance) C4'-P energy: -31.519
bonds (distance) P-C4' energy: -43.223
flat angles C4'-P-C4' energy: -40.509
flat angles P-C4'-P energy: -22.710
tors. eta vs tors. theta energy: -11.345
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: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -213.772737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.772737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.772737 (E_RNA)
where:
Base-Base interactions energy: -92.638
where: short stacking energy: -63.778
Base-Backbone interact. energy: 6.663
local terms energy: -127.798101
where:
bonds (distance) C4'-P energy: -40.958
bonds (distance) P-C4' energy: -40.711
flat angles C4'-P-C4' energy: -25.778
flat angles P-C4'-P energy: -25.607
tors. eta vs tors. theta energy: 5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -840.341263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.341263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.341263 (E_RNA)
where:
Base-Base interactions energy: -577.222
where: short stacking energy: -257.170
Base-Backbone interact. energy: -0.764
local terms energy: -262.356058
where:
bonds (distance) C4'-P energy: -51.025
bonds (distance) P-C4' energy: -45.780
flat angles C4'-P-C4' energy: -54.630
flat angles P-C4'-P energy: -31.377
tors. eta vs tors. theta energy: -79.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -786.650205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.650205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.650205 (E_RNA)
where:
Base-Base interactions energy: -544.853
where: short stacking energy: -241.860
Base-Backbone interact. energy: -0.440
local terms energy: -241.357159
where:
bonds (distance) C4'-P energy: -41.250
bonds (distance) P-C4' energy: -50.641
flat angles C4'-P-C4' energy: -47.624
flat angles P-C4'-P energy: -35.935
tors. eta vs tors. theta energy: -65.907
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: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -771.209100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.209100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.209100 (E_RNA)
where:
Base-Base interactions energy: -548.712
where: short stacking energy: -215.321
Base-Backbone interact. energy: -0.193
local terms energy: -222.303803
where:
bonds (distance) C4'-P energy: -39.242
bonds (distance) P-C4' energy: -42.447
flat angles C4'-P-C4' energy: -52.775
flat angles P-C4'-P energy: -34.157
tors. eta vs tors. theta energy: -53.683
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: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -702.122786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.122786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.122786 (E_RNA)
where:
Base-Base interactions energy: -477.449
where: short stacking energy: -206.809
Base-Backbone interact. energy: 1.330
local terms energy: -226.003722
where:
bonds (distance) C4'-P energy: -41.493
bonds (distance) P-C4' energy: -47.924
flat angles C4'-P-C4' energy: -51.787
flat angles P-C4'-P energy: -33.494
tors. eta vs tors. theta energy: -51.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -759.862083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.862083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.862083 (E_RNA)
where:
Base-Base interactions energy: -525.713
where: short stacking energy: -231.070
Base-Backbone interact. energy: -1.315
local terms energy: -232.833624
where:
bonds (distance) C4'-P energy: -44.636
bonds (distance) P-C4' energy: -41.041
flat angles C4'-P-C4' energy: -48.666
flat angles P-C4'-P energy: -36.414
tors. eta vs tors. theta energy: -62.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -621.296845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.296845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.296845 (E_RNA)
where:
Base-Base interactions energy: -413.237
where: short stacking energy: -170.309
Base-Backbone interact. energy: -2.122
local terms energy: -205.937851
where:
bonds (distance) C4'-P energy: -43.807
bonds (distance) P-C4' energy: -41.982
flat angles C4'-P-C4' energy: -47.140
flat angles P-C4'-P energy: -30.708
tors. eta vs tors. theta energy: -42.301
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: 7, replica: 1
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -563.049498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.049498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.049498 (E_RNA)
where:
Base-Base interactions energy: -361.305
where: short stacking energy: -163.393
Base-Backbone interact. energy: -0.754
local terms energy: -200.990310
where:
bonds (distance) C4'-P energy: -41.707
bonds (distance) P-C4' energy: -48.117
flat angles C4'-P-C4' energy: -35.448
flat angles P-C4'-P energy: -24.355
tors. eta vs tors. theta energy: -51.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -430.372612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.372612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.372612 (E_RNA)
where:
Base-Base interactions energy: -263.988
where: short stacking energy: -117.162
Base-Backbone interact. energy: 0.790
local terms energy: -167.174280
where:
bonds (distance) C4'-P energy: -33.387
bonds (distance) P-C4' energy: -45.545
flat angles C4'-P-C4' energy: -47.908
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -345.484997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.484997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.484997 (E_RNA)
where:
Base-Base interactions energy: -171.843
where: short stacking energy: -101.885
Base-Backbone interact. energy: -0.279
local terms energy: -173.363403
where:
bonds (distance) C4'-P energy: -45.973
bonds (distance) P-C4' energy: -43.681
flat angles C4'-P-C4' energy: -33.000
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -204.840429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.840429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.840429 (E_RNA)
where:
Base-Base interactions energy: -81.283
where: short stacking energy: -63.930
Base-Backbone interact. energy: 0.693
local terms energy: -124.250266
where:
bonds (distance) C4'-P energy: -31.681
bonds (distance) P-C4' energy: -36.785
flat angles C4'-P-C4' energy: -39.714
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: 8.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -829.523030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.523030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.523030 (E_RNA)
where:
Base-Base interactions energy: -573.040
where: short stacking energy: -248.121
Base-Backbone interact. energy: -0.897
local terms energy: -255.586135
where:
bonds (distance) C4'-P energy: -45.167
bonds (distance) P-C4' energy: -49.016
flat angles C4'-P-C4' energy: -54.641
flat angles P-C4'-P energy: -31.246
tors. eta vs tors. theta energy: -75.516
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: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -794.095244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.095244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.095244 (E_RNA)
where:
Base-Base interactions energy: -551.882
where: short stacking energy: -233.005
Base-Backbone interact. energy: -0.106
local terms energy: -242.106569
where:
bonds (distance) C4'-P energy: -52.370
bonds (distance) P-C4' energy: -42.221
flat angles C4'-P-C4' energy: -47.846
flat angles P-C4'-P energy: -30.400
tors. eta vs tors. theta energy: -69.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -779.489828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.489828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.489828 (E_RNA)
where:
Base-Base interactions energy: -550.111
where: short stacking energy: -233.888
Base-Backbone interact. energy: -0.702
local terms energy: -228.677217
where:
bonds (distance) C4'-P energy: -44.998
bonds (distance) P-C4' energy: -46.318
flat angles C4'-P-C4' energy: -40.820
flat angles P-C4'-P energy: -34.900
tors. eta vs tors. theta energy: -61.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -713.033716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.033716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.033716 (E_RNA)
where:
Base-Base interactions energy: -483.344
where: short stacking energy: -214.083
Base-Backbone interact. energy: -1.053
local terms energy: -228.636775
where:
bonds (distance) C4'-P energy: -50.543
bonds (distance) P-C4' energy: -43.155
flat angles C4'-P-C4' energy: -49.332
flat angles P-C4'-P energy: -35.478
tors. eta vs tors. theta energy: -50.129
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: 5, replica: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -742.108629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.108629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.108629 (E_RNA)
where:
Base-Base interactions energy: -528.282
where: short stacking energy: -226.816
Base-Backbone interact. energy: -1.769
local terms energy: -212.057202
where:
bonds (distance) C4'-P energy: -45.887
bonds (distance) P-C4' energy: -38.997
flat angles C4'-P-C4' energy: -41.475
flat angles P-C4'-P energy: -26.871
tors. eta vs tors. theta energy: -58.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -636.013628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.013628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.013628 (E_RNA)
where:
Base-Base interactions energy: -423.605
where: short stacking energy: -189.547
Base-Backbone interact. energy: -4.172
local terms energy: -208.236252
where:
bonds (distance) C4'-P energy: -34.233
bonds (distance) P-C4' energy: -49.905
flat angles C4'-P-C4' energy: -40.501
flat angles P-C4'-P energy: -34.144
tors. eta vs tors. theta energy: -49.453
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: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -550.581783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.581783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.581783 (E_RNA)
where:
Base-Base interactions energy: -374.508
where: short stacking energy: -157.917
Base-Backbone interact. energy: 0.486
local terms energy: -176.559927
where:
bonds (distance) C4'-P energy: -36.249
bonds (distance) P-C4' energy: -39.445
flat angles C4'-P-C4' energy: -43.256
flat angles P-C4'-P energy: -21.634
tors. eta vs tors. theta energy: -35.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -456.687722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.687722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.687722 (E_RNA)
where:
Base-Base interactions energy: -297.732
where: short stacking energy: -136.471
Base-Backbone interact. energy: -1.381
local terms energy: -157.574581
where:
bonds (distance) C4'-P energy: -36.930
bonds (distance) P-C4' energy: -40.774
flat angles C4'-P-C4' energy: -32.034
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -31.083
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: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -328.567329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.567329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.567329 (E_RNA)
where:
Base-Base interactions energy: -187.155
where: short stacking energy: -88.535
Base-Backbone interact. energy: -0.035
local terms energy: -141.377199
where:
bonds (distance) C4'-P energy: -31.334
bonds (distance) P-C4' energy: -51.434
flat angles C4'-P-C4' energy: -25.587
flat angles P-C4'-P energy: -29.340
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -203.245173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.245173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.245173 (E_RNA)
where:
Base-Base interactions energy: -72.649
where: short stacking energy: -63.272
Base-Backbone interact. energy: 0.322
local terms energy: -130.918338
where:
bonds (distance) C4'-P energy: -36.304
bonds (distance) P-C4' energy: -39.287
flat angles C4'-P-C4' energy: -33.505
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -0.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -830.331899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.331899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.331899 (E_RNA)
where:
Base-Base interactions energy: -568.592
where: short stacking energy: -260.046
Base-Backbone interact. energy: -2.203
local terms energy: -259.537129
where:
bonds (distance) C4'-P energy: -42.103
bonds (distance) P-C4' energy: -47.922
flat angles C4'-P-C4' energy: -46.000
flat angles P-C4'-P energy: -45.213
tors. eta vs tors. theta energy: -78.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -780.536066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.536066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.536066 (E_RNA)
where:
Base-Base interactions energy: -538.835
where: short stacking energy: -239.811
Base-Backbone interact. energy: -0.938
local terms energy: -240.763011
where:
bonds (distance) C4'-P energy: -41.286
bonds (distance) P-C4' energy: -43.846
flat angles C4'-P-C4' energy: -51.491
flat angles P-C4'-P energy: -39.572
tors. eta vs tors. theta energy: -64.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -786.529238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.529238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.529238 (E_RNA)
where:
Base-Base interactions energy: -560.683
where: short stacking energy: -235.668
Base-Backbone interact. energy: -0.883
local terms energy: -224.963276
where:
bonds (distance) C4'-P energy: -43.802
bonds (distance) P-C4' energy: -41.937
flat angles C4'-P-C4' energy: -45.826
flat angles P-C4'-P energy: -30.942
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: 4, replica: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -769.721521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.721521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.721521 (E_RNA)
where:
Base-Base interactions energy: -531.676
where: short stacking energy: -228.307
Base-Backbone interact. energy: -1.915
local terms energy: -236.130574
where:
bonds (distance) C4'-P energy: -46.244
bonds (distance) P-C4' energy: -44.895
flat angles C4'-P-C4' energy: -53.537
flat angles P-C4'-P energy: -29.629
tors. eta vs tors. theta energy: -61.826
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: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -687.667748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.667748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.667748 (E_RNA)
where:
Base-Base interactions energy: -474.229
where: short stacking energy: -217.826
Base-Backbone interact. energy: 0.702
local terms energy: -214.140656
where:
bonds (distance) C4'-P energy: -38.996
bonds (distance) P-C4' energy: -35.075
flat angles C4'-P-C4' energy: -47.688
flat angles P-C4'-P energy: -33.613
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: 6, replica: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -569.713642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.713642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.713642 (E_RNA)
where:
Base-Base interactions energy: -389.921
where: short stacking energy: -168.385
Base-Backbone interact. energy: 0.962
local terms energy: -180.754126
where:
bonds (distance) C4'-P energy: -40.447
bonds (distance) P-C4' energy: -43.725
flat angles C4'-P-C4' energy: -39.268
flat angles P-C4'-P energy: -28.249
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: 7, replica: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -610.443907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.443907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.443907 (E_RNA)
where:
Base-Base interactions energy: -411.087
where: short stacking energy: -182.016
Base-Backbone interact. energy: -0.516
local terms energy: -198.841587
where:
bonds (distance) C4'-P energy: -32.899
bonds (distance) P-C4' energy: -43.584
flat angles C4'-P-C4' energy: -51.115
flat angles P-C4'-P energy: -29.159
tors. eta vs tors. theta energy: -42.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -479.817380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.817380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.817380 (E_RNA)
where:
Base-Base interactions energy: -305.152
where: short stacking energy: -145.821
Base-Backbone interact. energy: -0.166
local terms energy: -174.498559
where:
bonds (distance) C4'-P energy: -36.789
bonds (distance) P-C4' energy: -44.974
flat angles C4'-P-C4' energy: -41.850
flat angles P-C4'-P energy: -27.307
tors. eta vs tors. theta energy: -23.580
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: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -397.493088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.493088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.493088 (E_RNA)
where:
Base-Base interactions energy: -248.569
where: short stacking energy: -94.817
Base-Backbone interact. energy: -1.843
local terms energy: -147.080457
where:
bonds (distance) C4'-P energy: -42.369
bonds (distance) P-C4' energy: -40.409
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -29.512
tors. eta vs tors. theta energy: -12.164
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: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -202.493922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.493922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.493922 (E_RNA)
where:
Base-Base interactions energy: -78.553
where: short stacking energy: -77.653
Base-Backbone interact. energy: 0.285
local terms energy: -124.226089
where:
bonds (distance) C4'-P energy: -36.344
bonds (distance) P-C4' energy: -42.583
flat angles C4'-P-C4' energy: -35.617
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: 1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -844.560634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.560634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.560634 (E_RNA)
where:
Base-Base interactions energy: -579.046
where: short stacking energy: -262.850
Base-Backbone interact. energy: -0.665
local terms energy: -264.849680
where:
bonds (distance) C4'-P energy: -46.136
bonds (distance) P-C4' energy: -51.930
flat angles C4'-P-C4' energy: -50.456
flat angles P-C4'-P energy: -36.147
tors. eta vs tors. theta energy: -80.180
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: 2, replica: 6
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -784.837019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.837019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.837019 (E_RNA)
where:
Base-Base interactions energy: -520.716
where: short stacking energy: -238.364
Base-Backbone interact. energy: -1.124
local terms energy: -262.997569
where:
bonds (distance) C4'-P energy: -47.387
bonds (distance) P-C4' energy: -50.848
flat angles C4'-P-C4' energy: -58.871
flat angles P-C4'-P energy: -36.588
tors. eta vs tors. theta energy: -69.304
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: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -777.647643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.647643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.647643 (E_RNA)
where:
Base-Base interactions energy: -535.219
where: short stacking energy: -229.419
Base-Backbone interact. energy: 1.159
local terms energy: -243.587290
where:
bonds (distance) C4'-P energy: -48.967
bonds (distance) P-C4' energy: -48.291
flat angles C4'-P-C4' energy: -50.829
flat angles P-C4'-P energy: -37.458
tors. eta vs tors. theta energy: -58.043
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: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -755.206307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.206307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.206307 (E_RNA)
where:
Base-Base interactions energy: -522.016
where: short stacking energy: -207.733
Base-Backbone interact. energy: 2.749
local terms energy: -235.939057
where:
bonds (distance) C4'-P energy: -46.540
bonds (distance) P-C4' energy: -50.192
flat angles C4'-P-C4' energy: -48.078
flat angles P-C4'-P energy: -32.935
tors. eta vs tors. theta energy: -58.195
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: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -716.279762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.279762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.279762 (E_RNA)
where:
Base-Base interactions energy: -472.396
where: short stacking energy: -206.989
Base-Backbone interact. energy: -1.413
local terms energy: -242.471154
where:
bonds (distance) C4'-P energy: -50.698
bonds (distance) P-C4' energy: -44.305
flat angles C4'-P-C4' energy: -51.137
flat angles P-C4'-P energy: -39.522
tors. eta vs tors. theta energy: -56.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -584.323929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.323929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.323929 (E_RNA)
where:
Base-Base interactions energy: -383.400
where: short stacking energy: -159.697
Base-Backbone interact. energy: 0.523
local terms energy: -201.447563
where:
bonds (distance) C4'-P energy: -45.592
bonds (distance) P-C4' energy: -43.273
flat angles C4'-P-C4' energy: -45.554
flat angles P-C4'-P energy: -30.186
tors. eta vs tors. theta energy: -36.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -622.794737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.794737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.794737 (E_RNA)
where:
Base-Base interactions energy: -427.815
where: short stacking energy: -193.831
Base-Backbone interact. energy: 1.385
local terms energy: -196.364149
where:
bonds (distance) C4'-P energy: -39.631
bonds (distance) P-C4' energy: -44.407
flat angles C4'-P-C4' energy: -37.264
flat angles P-C4'-P energy: -27.167
tors. eta vs tors. theta energy: -47.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -474.808428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.808428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.808428 (E_RNA)
where:
Base-Base interactions energy: -315.977
where: short stacking energy: -133.034
Base-Backbone interact. energy: 0.826
local terms energy: -159.656577
where:
bonds (distance) C4'-P energy: -40.835
bonds (distance) P-C4' energy: -38.248
flat angles C4'-P-C4' energy: -34.329
flat angles P-C4'-P energy: -26.415
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: 9, replica: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -396.950036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.950036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.950036 (E_RNA)
where:
Base-Base interactions energy: -231.760
where: short stacking energy: -112.735
Base-Backbone interact. energy: -0.919
local terms energy: -164.271247
where:
bonds (distance) C4'-P energy: -40.157
bonds (distance) P-C4' energy: -47.959
flat angles C4'-P-C4' energy: -40.632
flat angles P-C4'-P energy: -20.734
tors. eta vs tors. theta energy: -14.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -218.038945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.038945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.038945 (E_RNA)
where:
Base-Base interactions energy: -84.499
where: short stacking energy: -67.925
Base-Backbone interact. energy: 0.729
local terms energy: -134.268646
where:
bonds (distance) C4'-P energy: -39.626
bonds (distance) P-C4' energy: -39.735
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -28.898
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -841.837283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.837283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.837283 (E_RNA)
where:
Base-Base interactions energy: -572.295
where: short stacking energy: -255.994
Base-Backbone interact. energy: -0.358
local terms energy: -269.184856
where:
bonds (distance) C4'-P energy: -49.003
bonds (distance) P-C4' energy: -50.594
flat angles C4'-P-C4' energy: -53.547
flat angles P-C4'-P energy: -40.351
tors. eta vs tors. theta energy: -75.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -794.223550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.223550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.223550 (E_RNA)
where:
Base-Base interactions energy: -565.064
where: short stacking energy: -231.702
Base-Backbone interact. energy: -1.125
local terms energy: -228.034935
where:
bonds (distance) C4'-P energy: -47.925
bonds (distance) P-C4' energy: -41.712
flat angles C4'-P-C4' energy: -46.781
flat angles P-C4'-P energy: -29.063
tors. eta vs tors. theta energy: -62.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -765.628442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.628442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.628442 (E_RNA)
where:
Base-Base interactions energy: -536.248
where: short stacking energy: -234.655
Base-Backbone interact. energy: -0.098
local terms energy: -229.282529
where:
bonds (distance) C4'-P energy: -33.824
bonds (distance) P-C4' energy: -40.890
flat angles C4'-P-C4' energy: -50.848
flat angles P-C4'-P energy: -34.645
tors. eta vs tors. theta energy: -69.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -776.141173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.141173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.141173 (E_RNA)
where:
Base-Base interactions energy: -551.525
where: short stacking energy: -219.607
Base-Backbone interact. energy: 0.057
local terms energy: -224.674038
where:
bonds (distance) C4'-P energy: -45.937
bonds (distance) P-C4' energy: -36.810
flat angles C4'-P-C4' energy: -54.830
flat angles P-C4'-P energy: -26.736
tors. eta vs tors. theta energy: -60.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -681.194363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.194363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.194363 (E_RNA)
where:
Base-Base interactions energy: -480.110
where: short stacking energy: -219.012
Base-Backbone interact. energy: 1.172
local terms energy: -202.255736
where:
bonds (distance) C4'-P energy: -32.402
bonds (distance) P-C4' energy: -32.569
flat angles C4'-P-C4' energy: -48.504
flat angles P-C4'-P energy: -33.207
tors. eta vs tors. theta energy: -55.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -611.541302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.541302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.541302 (E_RNA)
where:
Base-Base interactions energy: -401.940
where: short stacking energy: -185.775
Base-Backbone interact. energy: -0.196
local terms energy: -209.405128
where:
bonds (distance) C4'-P energy: -48.200
bonds (distance) P-C4' energy: -37.927
flat angles C4'-P-C4' energy: -47.610
flat angles P-C4'-P energy: -24.442
tors. eta vs tors. theta energy: -51.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -582.169894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.169894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.169894 (E_RNA)
where:
Base-Base interactions energy: -382.408
where: short stacking energy: -168.834
Base-Backbone interact. energy: 0.884
local terms energy: -200.646617
where:
bonds (distance) C4'-P energy: -32.627
bonds (distance) P-C4' energy: -50.398
flat angles C4'-P-C4' energy: -43.174
flat angles P-C4'-P energy: -31.460
tors. eta vs tors. theta energy: -42.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -476.519782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.519782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.519782 (E_RNA)
where:
Base-Base interactions energy: -314.530
where: short stacking energy: -137.474
Base-Backbone interact. energy: -0.574
local terms energy: -161.415647
where:
bonds (distance) C4'-P energy: -33.403
bonds (distance) P-C4' energy: -40.725
flat angles C4'-P-C4' energy: -45.130
flat angles P-C4'-P energy: -26.640
tors. eta vs tors. theta energy: -15.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -382.851525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.851525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.851525 (E_RNA)
where:
Base-Base interactions energy: -235.526
where: short stacking energy: -105.239
Base-Backbone interact. energy: -2.475
local terms energy: -144.850207
where:
bonds (distance) C4'-P energy: -33.906
bonds (distance) P-C4' energy: -41.535
flat angles C4'-P-C4' energy: -39.944
flat angles P-C4'-P energy: -23.940
tors. eta vs tors. theta energy: -5.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -198.774008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.774008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.774008 (E_RNA)
where:
Base-Base interactions energy: -72.206
where: short stacking energy: -56.170
Base-Backbone interact. energy: 1.752
local terms energy: -128.320061
where:
bonds (distance) C4'-P energy: -38.938
bonds (distance) P-C4' energy: -54.188
flat angles C4'-P-C4' energy: -38.307
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: 14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -821.108535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.108535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.108535 (E_RNA)
where:
Base-Base interactions energy: -568.520
where: short stacking energy: -240.334
Base-Backbone interact. energy: -0.042
local terms energy: -252.546835
where:
bonds (distance) C4'-P energy: -51.359
bonds (distance) P-C4' energy: -42.698
flat angles C4'-P-C4' energy: -52.241
flat angles P-C4'-P energy: -30.803
tors. eta vs tors. theta energy: -75.446
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: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -803.009874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.009874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.009874 (E_RNA)
where:
Base-Base interactions energy: -553.725
where: short stacking energy: -220.986
Base-Backbone interact. energy: 0.354
local terms energy: -249.639442
where:
bonds (distance) C4'-P energy: -42.800
bonds (distance) P-C4' energy: -44.311
flat angles C4'-P-C4' energy: -55.637
flat angles P-C4'-P energy: -42.787
tors. eta vs tors. theta energy: -64.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -797.053255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.053255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.053255 (E_RNA)
where:
Base-Base interactions energy: -572.150
where: short stacking energy: -230.560
Base-Backbone interact. energy: -1.057
local terms energy: -223.845874
where:
bonds (distance) C4'-P energy: -41.596
bonds (distance) P-C4' energy: -41.607
flat angles C4'-P-C4' energy: -49.865
flat angles P-C4'-P energy: -32.364
tors. eta vs tors. theta energy: -58.413
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: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -748.086848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.086848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.086848 (E_RNA)
where:
Base-Base interactions energy: -523.367
where: short stacking energy: -224.406
Base-Backbone interact. energy: -0.942
local terms energy: -223.778304
where:
bonds (distance) C4'-P energy: -33.883
bonds (distance) P-C4' energy: -46.719
flat angles C4'-P-C4' energy: -52.200
flat angles P-C4'-P energy: -27.491
tors. eta vs tors. theta energy: -63.485
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: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -706.050008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.050008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.050008 (E_RNA)
where:
Base-Base interactions energy: -492.188
where: short stacking energy: -213.861
Base-Backbone interact. energy: 1.566
local terms energy: -215.428568
where:
bonds (distance) C4'-P energy: -39.454
bonds (distance) P-C4' energy: -47.607
flat angles C4'-P-C4' energy: -51.689
flat angles P-C4'-P energy: -24.388
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: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -606.187223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.187223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.187223 (E_RNA)
where:
Base-Base interactions energy: -408.327
where: short stacking energy: -174.163
Base-Backbone interact. energy: -0.406
local terms energy: -197.454830
where:
bonds (distance) C4'-P energy: -37.039
bonds (distance) P-C4' energy: -50.093
flat angles C4'-P-C4' energy: -46.572
flat angles P-C4'-P energy: -25.780
tors. eta vs tors. theta energy: -37.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -632.832195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.832195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.832195 (E_RNA)
where:
Base-Base interactions energy: -433.541
where: short stacking energy: -198.986
Base-Backbone interact. energy: 0.749
local terms energy: -200.040125
where:
bonds (distance) C4'-P energy: -40.699
bonds (distance) P-C4' energy: -30.125
flat angles C4'-P-C4' energy: -40.196
flat angles P-C4'-P energy: -35.701
tors. eta vs tors. theta energy: -53.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -404.523305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.523305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.523305 (E_RNA)
where:
Base-Base interactions energy: -244.119
where: short stacking energy: -128.758
Base-Backbone interact. energy: -0.657
local terms energy: -159.747854
where:
bonds (distance) C4'-P energy: -42.970
bonds (distance) P-C4' energy: -37.762
flat angles C4'-P-C4' energy: -37.719
flat angles P-C4'-P energy: -24.241
tors. eta vs tors. theta energy: -17.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -391.732628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.732628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.732628 (E_RNA)
where:
Base-Base interactions energy: -228.608
where: short stacking energy: -115.424
Base-Backbone interact. energy: -1.099
local terms energy: -162.025110
where:
bonds (distance) C4'-P energy: -33.922
bonds (distance) P-C4' energy: -43.937
flat angles C4'-P-C4' energy: -41.339
flat angles P-C4'-P energy: -19.152
tors. eta vs tors. theta energy: -23.675
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: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -218.023586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.023586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.023586 (E_RNA)
where:
Base-Base interactions energy: -84.471
where: short stacking energy: -69.464
Base-Backbone interact. energy: 4.935
local terms energy: -138.487627
where:
bonds (distance) C4'-P energy: -46.822
bonds (distance) P-C4' energy: -39.954
flat angles C4'-P-C4' energy: -30.304
flat angles P-C4'-P energy: -24.753
tors. eta vs tors. theta energy: 3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -822.586659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.586659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.586659 (E_RNA)
where:
Base-Base interactions energy: -555.558
where: short stacking energy: -247.536
Base-Backbone interact. energy: -0.572
local terms energy: -266.455918
where:
bonds (distance) C4'-P energy: -50.369
bonds (distance) P-C4' energy: -50.271
flat angles C4'-P-C4' energy: -50.147
flat angles P-C4'-P energy: -38.694
tors. eta vs tors. theta energy: -76.976
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: 8
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -782.305960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.305960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.305960 (E_RNA)
where:
Base-Base interactions energy: -540.855
where: short stacking energy: -223.339
Base-Backbone interact. energy: -0.860
local terms energy: -240.591099
where:
bonds (distance) C4'-P energy: -41.551
bonds (distance) P-C4' energy: -49.349
flat angles C4'-P-C4' energy: -53.555
flat angles P-C4'-P energy: -36.001
tors. eta vs tors. theta energy: -60.135
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: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -787.198385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.198385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.198385 (E_RNA)
where:
Base-Base interactions energy: -552.431
where: short stacking energy: -220.275
Base-Backbone interact. energy: 3.999
local terms energy: -238.766951
where:
bonds (distance) C4'-P energy: -52.927
bonds (distance) P-C4' energy: -47.205
flat angles C4'-P-C4' energy: -45.235
flat angles P-C4'-P energy: -34.668
tors. eta vs tors. theta energy: -58.732
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: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -745.962289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.962289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.962289 (E_RNA)
where:
Base-Base interactions energy: -510.462
where: short stacking energy: -228.739
Base-Backbone interact. energy: -0.389
local terms energy: -235.111547
where:
bonds (distance) C4'-P energy: -42.645
bonds (distance) P-C4' energy: -39.126
flat angles C4'-P-C4' energy: -54.530
flat angles P-C4'-P energy: -32.920
tors. eta vs tors. theta energy: -65.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -681.077008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.077008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.077008 (E_RNA)
where:
Base-Base interactions energy: -471.098
where: short stacking energy: -193.912
Base-Backbone interact. energy: 4.201
local terms energy: -214.179269
where:
bonds (distance) C4'-P energy: -43.357
bonds (distance) P-C4' energy: -38.163
flat angles C4'-P-C4' energy: -53.029
flat angles P-C4'-P energy: -30.959
tors. eta vs tors. theta energy: -48.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -622.669737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.669737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.669737 (E_RNA)
where:
Base-Base interactions energy: -417.471
where: short stacking energy: -193.508
Base-Backbone interact. energy: -0.698
local terms energy: -204.500758
where:
bonds (distance) C4'-P energy: -42.319
bonds (distance) P-C4' energy: -36.176
flat angles C4'-P-C4' energy: -43.246
flat angles P-C4'-P energy: -32.140
tors. eta vs tors. theta energy: -50.620
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: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -664.998153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.998153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.998153 (E_RNA)
where:
Base-Base interactions energy: -460.013
where: short stacking energy: -197.532
Base-Backbone interact. energy: -0.597
local terms energy: -204.387687
where:
bonds (distance) C4'-P energy: -38.597
bonds (distance) P-C4' energy: -48.502
flat angles C4'-P-C4' energy: -36.213
flat angles P-C4'-P energy: -28.041
tors. eta vs tors. theta energy: -53.035
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: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -379.880832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.880832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.880832 (E_RNA)
where:
Base-Base interactions energy: -219.987
where: short stacking energy: -109.661
Base-Backbone interact. energy: -1.144
local terms energy: -158.749956
where:
bonds (distance) C4'-P energy: -42.796
bonds (distance) P-C4' energy: -39.151
flat angles C4'-P-C4' energy: -38.440
flat angles P-C4'-P energy: -22.358
tors. eta vs tors. theta energy: -16.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -392.017902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.017902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.017902 (E_RNA)
where:
Base-Base interactions energy: -238.399
where: short stacking energy: -126.603
Base-Backbone interact. energy: 0.205
local terms energy: -153.824160
where:
bonds (distance) C4'-P energy: -35.754
bonds (distance) P-C4' energy: -38.344
flat angles C4'-P-C4' energy: -37.100
flat angles P-C4'-P energy: -23.278
tors. eta vs tors. theta energy: -19.349
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: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -204.522877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.522877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.522877 (E_RNA)
where:
Base-Base interactions energy: -86.900
where: short stacking energy: -77.549
Base-Backbone interact. energy: 7.675
local terms energy: -125.297354
where:
bonds (distance) C4'-P energy: -35.562
bonds (distance) P-C4' energy: -32.256
flat angles C4'-P-C4' energy: -40.374
flat angles P-C4'-P energy: -18.483
tors. eta vs tors. theta energy: 1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -835.625230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.625230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.625230 (E_RNA)
where:
Base-Base interactions energy: -576.620
where: short stacking energy: -251.402
Base-Backbone interact. energy: -0.869
local terms energy: -258.137111
where:
bonds (distance) C4'-P energy: -43.952
bonds (distance) P-C4' energy: -48.320
flat angles C4'-P-C4' energy: -55.047
flat angles P-C4'-P energy: -36.701
tors. eta vs tors. theta energy: -74.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -793.448408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.448408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.448408 (E_RNA)
where:
Base-Base interactions energy: -548.998
where: short stacking energy: -215.979
Base-Backbone interact. energy: -1.580
local terms energy: -242.870589
where:
bonds (distance) C4'-P energy: -42.203
bonds (distance) P-C4' energy: -52.501
flat angles C4'-P-C4' energy: -54.021
flat angles P-C4'-P energy: -33.675
tors. eta vs tors. theta energy: -60.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -780.051389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.051389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.051389 (E_RNA)
where:
Base-Base interactions energy: -544.386
where: short stacking energy: -218.852
Base-Backbone interact. energy: 0.590
local terms energy: -236.255043
where:
bonds (distance) C4'-P energy: -47.930
bonds (distance) P-C4' energy: -45.792
flat angles C4'-P-C4' energy: -49.252
flat angles P-C4'-P energy: -31.633
tors. eta vs tors. theta energy: -61.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -758.126485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.126485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.126485 (E_RNA)
where:
Base-Base interactions energy: -519.676
where: short stacking energy: -220.803
Base-Backbone interact. energy: -0.147
local terms energy: -238.303214
where:
bonds (distance) C4'-P energy: -47.473
bonds (distance) P-C4' energy: -41.171
flat angles C4'-P-C4' energy: -53.492
flat angles P-C4'-P energy: -29.914
tors. eta vs tors. theta energy: -66.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -682.166814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.166814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.166814 (E_RNA)
where:
Base-Base interactions energy: -465.542
where: short stacking energy: -202.147
Base-Backbone interact. energy: -1.166
local terms energy: -215.458581
where:
bonds (distance) C4'-P energy: -38.562
bonds (distance) P-C4' energy: -46.113
flat angles C4'-P-C4' energy: -41.912
flat angles P-C4'-P energy: -33.034
tors. eta vs tors. theta energy: -55.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -619.688433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.688433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.688433 (E_RNA)
where:
Base-Base interactions energy: -410.276
where: short stacking energy: -188.883
Base-Backbone interact. energy: 0.052
local terms energy: -209.465203
where:
bonds (distance) C4'-P energy: -40.098
bonds (distance) P-C4' energy: -44.798
flat angles C4'-P-C4' energy: -40.688
flat angles P-C4'-P energy: -32.423
tors. eta vs tors. theta energy: -51.458
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: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -648.686801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.686801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.686801 (E_RNA)
where:
Base-Base interactions energy: -450.184
where: short stacking energy: -184.432
Base-Backbone interact. energy: -0.428
local terms energy: -198.075049
where:
bonds (distance) C4'-P energy: -42.575
bonds (distance) P-C4' energy: -44.423
flat angles C4'-P-C4' energy: -41.484
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -49.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -411.083244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.083244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.083244 (E_RNA)
where:
Base-Base interactions energy: -261.434
where: short stacking energy: -134.174
Base-Backbone interact. energy: -0.687
local terms energy: -148.962093
where:
bonds (distance) C4'-P energy: -39.944
bonds (distance) P-C4' energy: -38.548
flat angles C4'-P-C4' energy: -26.540
flat angles P-C4'-P energy: -28.607
tors. eta vs tors. theta energy: -15.323
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: 4
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -399.841766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.841766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.841766 (E_RNA)
where:
Base-Base interactions energy: -238.033
where: short stacking energy: -113.939
Base-Backbone interact. energy: 0.382
local terms energy: -162.190584
where:
bonds (distance) C4'-P energy: -43.606
bonds (distance) P-C4' energy: -45.655
flat angles C4'-P-C4' energy: -37.663
flat angles P-C4'-P energy: -17.301
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -196.213531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.213531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.213531 (E_RNA)
where:
Base-Base interactions energy: -76.773
where: short stacking energy: -64.495
Base-Backbone interact. energy: -0.911
local terms energy: -118.530110
where:
bonds (distance) C4'-P energy: -38.641
bonds (distance) P-C4' energy: -32.634
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: 2.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -826.304472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.304472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.304472 (E_RNA)
where:
Base-Base interactions energy: -567.906
where: short stacking energy: -258.847
Base-Backbone interact. energy: -0.722
local terms energy: -257.675676
where:
bonds (distance) C4'-P energy: -41.824
bonds (distance) P-C4' energy: -47.714
flat angles C4'-P-C4' energy: -54.053
flat angles P-C4'-P energy: -40.181
tors. eta vs tors. theta energy: -73.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -803.178237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.178237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.178237 (E_RNA)
where:
Base-Base interactions energy: -565.206
where: short stacking energy: -233.116
Base-Backbone interact. energy: 1.016
local terms energy: -238.987424
where:
bonds (distance) C4'-P energy: -51.586
bonds (distance) P-C4' energy: -40.451
flat angles C4'-P-C4' energy: -53.220
flat angles P-C4'-P energy: -30.817
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: 3, replica: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -794.937016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.937016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.937016 (E_RNA)
where:
Base-Base interactions energy: -565.357
where: short stacking energy: -223.183
Base-Backbone interact. energy: 0.464
local terms energy: -230.044503
where:
bonds (distance) C4'-P energy: -41.363
bonds (distance) P-C4' energy: -45.689
flat angles C4'-P-C4' energy: -51.733
flat angles P-C4'-P energy: -34.041
tors. eta vs tors. theta energy: -57.218
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: 155
Temperature: 1.050000
Total energy: -767.322758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.322758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.322758 (E_RNA)
where:
Base-Base interactions energy: -525.263
where: short stacking energy: -232.850
Base-Backbone interact. energy: -0.598
local terms energy: -241.462193
where:
bonds (distance) C4'-P energy: -42.881
bonds (distance) P-C4' energy: -45.262
flat angles C4'-P-C4' energy: -54.743
flat angles P-C4'-P energy: -30.954
tors. eta vs tors. theta energy: -67.622
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: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -679.440770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.440770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.440770 (E_RNA)
where:
Base-Base interactions energy: -469.371
where: short stacking energy: -210.538
Base-Backbone interact. energy: -0.901
local terms energy: -209.169321
where:
bonds (distance) C4'-P energy: -35.048
bonds (distance) P-C4' energy: -48.009
flat angles C4'-P-C4' energy: -49.265
flat angles P-C4'-P energy: -29.087
tors. eta vs tors. theta energy: -47.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -667.803447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.803447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.803447 (E_RNA)
where:
Base-Base interactions energy: -459.753
where: short stacking energy: -200.917
Base-Backbone interact. energy: -0.448
local terms energy: -207.601576
where:
bonds (distance) C4'-P energy: -38.351
bonds (distance) P-C4' energy: -42.542
flat angles C4'-P-C4' energy: -41.167
flat angles P-C4'-P energy: -33.997
tors. eta vs tors. theta energy: -51.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -619.654523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.654523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.654523 (E_RNA)
where:
Base-Base interactions energy: -424.038
where: short stacking energy: -175.706
Base-Backbone interact. energy: -0.734
local terms energy: -194.882505
where:
bonds (distance) C4'-P energy: -42.477
bonds (distance) P-C4' energy: -39.204
flat angles C4'-P-C4' energy: -36.894
flat angles P-C4'-P energy: -30.494
tors. eta vs tors. theta energy: -45.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -472.941228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.941228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.941228 (E_RNA)
where:
Base-Base interactions energy: -295.722
where: short stacking energy: -129.513
Base-Backbone interact. energy: 1.248
local terms energy: -178.466962
where:
bonds (distance) C4'-P energy: -38.393
bonds (distance) P-C4' energy: -45.820
flat angles C4'-P-C4' energy: -41.459
flat angles P-C4'-P energy: -24.204
tors. eta vs tors. theta energy: -28.592
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: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -380.996850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.996850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.996850 (E_RNA)
where:
Base-Base interactions energy: -213.985
where: short stacking energy: -119.278
Base-Backbone interact. energy: -1.455
local terms energy: -165.557541
where:
bonds (distance) C4'-P energy: -39.537
bonds (distance) P-C4' energy: -33.821
flat angles C4'-P-C4' energy: -43.724
flat angles P-C4'-P energy: -29.721
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -209.325558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.325558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.325558 (E_RNA)
where:
Base-Base interactions energy: -87.216
where: short stacking energy: -71.478
Base-Backbone interact. energy: 1.521
local terms energy: -123.630742
where:
bonds (distance) C4'-P energy: -29.848
bonds (distance) P-C4' energy: -31.699
flat angles C4'-P-C4' energy: -39.121
flat angles P-C4'-P energy: -21.282
tors. eta vs tors. theta energy: -1.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -846.741216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.741216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.741216 (E_RNA)
where:
Base-Base interactions energy: -581.473
where: short stacking energy: -253.647
Base-Backbone interact. energy: -0.504
local terms energy: -264.763983
where:
bonds (distance) C4'-P energy: -42.454
bonds (distance) P-C4' energy: -55.689
flat angles C4'-P-C4' energy: -52.709
flat angles P-C4'-P energy: -34.333
tors. eta vs tors. theta energy: -79.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -809.863420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.863420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.863420 (E_RNA)
where:
Base-Base interactions energy: -566.919
where: short stacking energy: -227.399
Base-Backbone interact. energy: -0.657
local terms energy: -242.287853
where:
bonds (distance) C4'-P energy: -49.196
bonds (distance) P-C4' energy: -45.619
flat angles C4'-P-C4' energy: -51.865
flat angles P-C4'-P energy: -32.032
tors. eta vs tors. theta energy: -63.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -790.143983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.143983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.143983 (E_RNA)
where:
Base-Base interactions energy: -561.843
where: short stacking energy: -224.582
Base-Backbone interact. energy: 0.868
local terms energy: -229.168913
where:
bonds (distance) C4'-P energy: -38.162
bonds (distance) P-C4' energy: -42.797
flat angles C4'-P-C4' energy: -51.736
flat angles P-C4'-P energy: -37.516
tors. eta vs tors. theta energy: -58.957
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: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -733.770912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.770912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.770912 (E_RNA)
where:
Base-Base interactions energy: -496.396
where: short stacking energy: -222.900
Base-Backbone interact. energy: 4.058
local terms energy: -241.432852
where:
bonds (distance) C4'-P energy: -42.388
bonds (distance) P-C4' energy: -43.722
flat angles C4'-P-C4' energy: -54.838
flat angles P-C4'-P energy: -34.046
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: 5, replica: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -698.107039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.107039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.107039 (E_RNA)
where:
Base-Base interactions energy: -478.300
where: short stacking energy: -202.473
Base-Backbone interact. energy: -0.604
local terms energy: -219.202655
where:
bonds (distance) C4'-P energy: -41.208
bonds (distance) P-C4' energy: -43.010
flat angles C4'-P-C4' energy: -47.823
flat angles P-C4'-P energy: -30.962
tors. eta vs tors. theta energy: -56.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -655.727129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.727129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.727129 (E_RNA)
where:
Base-Base interactions energy: -441.826
where: short stacking energy: -188.913
Base-Backbone interact. energy: -1.775
local terms energy: -212.125855
where:
bonds (distance) C4'-P energy: -38.955
bonds (distance) P-C4' energy: -46.656
flat angles C4'-P-C4' energy: -47.339
flat angles P-C4'-P energy: -35.219
tors. eta vs tors. theta energy: -43.958
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: 2
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -599.657994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.657994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.657994 (E_RNA)
where:
Base-Base interactions energy: -420.459
where: short stacking energy: -169.243
Base-Backbone interact. energy: -1.247
local terms energy: -177.952086
where:
bonds (distance) C4'-P energy: -29.812
bonds (distance) P-C4' energy: -29.921
flat angles C4'-P-C4' energy: -51.612
flat angles P-C4'-P energy: -34.107
tors. eta vs tors. theta energy: -32.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -492.054370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.054370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.054370 (E_RNA)
where:
Base-Base interactions energy: -308.988
where: short stacking energy: -134.830
Base-Backbone interact. energy: -1.811
local terms energy: -181.255081
where:
bonds (distance) C4'-P energy: -35.406
bonds (distance) P-C4' energy: -45.843
flat angles C4'-P-C4' energy: -34.579
flat angles P-C4'-P energy: -36.557
tors. eta vs tors. theta energy: -28.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -399.064476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.064476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.064476 (E_RNA)
where:
Base-Base interactions energy: -234.416
where: short stacking energy: -127.435
Base-Backbone interact. energy: -0.494
local terms energy: -164.154014
where:
bonds (distance) C4'-P energy: -39.241
bonds (distance) P-C4' energy: -41.534
flat angles C4'-P-C4' energy: -39.587
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -24.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -210.325658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.325658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.325658 (E_RNA)
where:
Base-Base interactions energy: -73.677
where: short stacking energy: -71.422
Base-Backbone interact. energy: -0.661
local terms energy: -135.987511
where:
bonds (distance) C4'-P energy: -26.945
bonds (distance) P-C4' energy: -43.005
flat angles C4'-P-C4' energy: -40.674
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -12.405
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: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -857.644932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.644932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.644932 (E_RNA)
where:
Base-Base interactions energy: -589.074
where: short stacking energy: -246.075
Base-Backbone interact. energy: -0.771
local terms energy: -267.799264
where:
bonds (distance) C4'-P energy: -47.042
bonds (distance) P-C4' energy: -49.795
flat angles C4'-P-C4' energy: -54.717
flat angles P-C4'-P energy: -41.134
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: 2, replica: 7
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -793.915850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.915850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.915850 (E_RNA)
where:
Base-Base interactions energy: -570.346
where: short stacking energy: -234.854
Base-Backbone interact. energy: -1.004
local terms energy: -222.565990
where:
bonds (distance) C4'-P energy: -34.033
bonds (distance) P-C4' energy: -44.900
flat angles C4'-P-C4' energy: -42.436
flat angles P-C4'-P energy: -35.864
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: 3, replica: 8
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -807.208207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.208207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.208207 (E_RNA)
where:
Base-Base interactions energy: -571.175
where: short stacking energy: -235.296
Base-Backbone interact. energy: -1.055
local terms energy: -234.978145
where:
bonds (distance) C4'-P energy: -45.239
bonds (distance) P-C4' energy: -40.350
flat angles C4'-P-C4' energy: -53.850
flat angles P-C4'-P energy: -28.105
tors. eta vs tors. theta energy: -67.435
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: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -719.942627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.942627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.942627 (E_RNA)
where:
Base-Base interactions energy: -488.365
where: short stacking energy: -221.144
Base-Backbone interact. energy: -1.047
local terms energy: -230.530620
where:
bonds (distance) C4'-P energy: -48.066
bonds (distance) P-C4' energy: -41.925
flat angles C4'-P-C4' energy: -48.388
flat angles P-C4'-P energy: -32.235
tors. eta vs tors. theta energy: -59.917
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: 5, replica: 1
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -709.591605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.591605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.591605 (E_RNA)
where:
Base-Base interactions energy: -488.458
where: short stacking energy: -205.088
Base-Backbone interact. energy: -1.196
local terms energy: -219.937298
where:
bonds (distance) C4'-P energy: -38.290
bonds (distance) P-C4' energy: -44.774
flat angles C4'-P-C4' energy: -50.593
flat angles P-C4'-P energy: -29.085
tors. eta vs tors. theta energy: -57.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -606.712677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.712677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.712677 (E_RNA)
where:
Base-Base interactions energy: -404.189
where: short stacking energy: -188.676
Base-Backbone interact. energy: -0.681
local terms energy: -201.842151
where:
bonds (distance) C4'-P energy: -45.213
bonds (distance) P-C4' energy: -40.878
flat angles C4'-P-C4' energy: -41.851
flat angles P-C4'-P energy: -28.772
tors. eta vs tors. theta energy: -45.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -636.588143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.588143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.588143 (E_RNA)
where:
Base-Base interactions energy: -447.926
where: short stacking energy: -183.975
Base-Backbone interact. energy: -0.581
local terms energy: -188.081435
where:
bonds (distance) C4'-P energy: -35.691
bonds (distance) P-C4' energy: -32.425
flat angles C4'-P-C4' energy: -41.274
flat angles P-C4'-P energy: -28.859
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: 8, replica: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -511.709061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.709061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.709061 (E_RNA)
where:
Base-Base interactions energy: -336.463
where: short stacking energy: -147.387
Base-Backbone interact. energy: 1.215
local terms energy: -176.460442
where:
bonds (distance) C4'-P energy: -36.298
bonds (distance) P-C4' energy: -40.990
flat angles C4'-P-C4' energy: -39.698
flat angles P-C4'-P energy: -30.797
tors. eta vs tors. theta energy: -28.678
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: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -381.112279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.112279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.112279 (E_RNA)
where:
Base-Base interactions energy: -210.127
where: short stacking energy: -103.029
Base-Backbone interact. energy: -1.774
local terms energy: -169.210831
where:
bonds (distance) C4'-P energy: -45.637
bonds (distance) P-C4' energy: -37.702
flat angles C4'-P-C4' energy: -37.629
flat angles P-C4'-P energy: -25.912
tors. eta vs tors. theta energy: -22.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -210.781377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.781377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.781377 (E_RNA)
where:
Base-Base interactions energy: -95.938
where: short stacking energy: -86.887
Base-Backbone interact. energy: -0.635
local terms energy: -114.208507
where:
bonds (distance) C4'-P energy: -33.888
bonds (distance) P-C4' energy: -28.924
flat angles C4'-P-C4' energy: -29.697
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -851.699066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.699066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.699066 (E_RNA)
where:
Base-Base interactions energy: -582.627
where: short stacking energy: -263.628
Base-Backbone interact. energy: -0.256
local terms energy: -268.816791
where:
bonds (distance) C4'-P energy: -48.455
bonds (distance) P-C4' energy: -47.418
flat angles C4'-P-C4' energy: -54.757
flat angles P-C4'-P energy: -37.798
tors. eta vs tors. theta energy: -80.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -796.320850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.320850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.320850 (E_RNA)
where:
Base-Base interactions energy: -552.816
where: short stacking energy: -212.698
Base-Backbone interact. energy: -1.329
local terms energy: -242.175851
where:
bonds (distance) C4'-P energy: -38.676
bonds (distance) P-C4' energy: -51.966
flat angles C4'-P-C4' energy: -56.667
flat angles P-C4'-P energy: -33.566
tors. eta vs tors. theta energy: -61.301
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: 3, replica: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -792.950159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.950159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.950159 (E_RNA)
where:
Base-Base interactions energy: -548.657
where: short stacking energy: -221.238
Base-Backbone interact. energy: 1.478
local terms energy: -245.771224
where:
bonds (distance) C4'-P energy: -49.143
bonds (distance) P-C4' energy: -37.723
flat angles C4'-P-C4' energy: -57.303
flat angles P-C4'-P energy: -38.536
tors. eta vs tors. theta energy: -63.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -719.102950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.102950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.102950 (E_RNA)
where:
Base-Base interactions energy: -499.487
where: short stacking energy: -207.162
Base-Backbone interact. energy: -0.201
local terms energy: -219.415048
where:
bonds (distance) C4'-P energy: -44.795
bonds (distance) P-C4' energy: -41.069
flat angles C4'-P-C4' energy: -46.671
flat angles P-C4'-P energy: -28.884
tors. eta vs tors. theta energy: -57.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -686.257427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.257427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.257427 (E_RNA)
where:
Base-Base interactions energy: -467.949
where: short stacking energy: -189.235
Base-Backbone interact. energy: -4.109
local terms energy: -214.199571
where:
bonds (distance) C4'-P energy: -32.744
bonds (distance) P-C4' energy: -38.122
flat angles C4'-P-C4' energy: -50.792
flat angles P-C4'-P energy: -34.803
tors. eta vs tors. theta energy: -57.739
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: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -637.535627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.535627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.535627 (E_RNA)
where:
Base-Base interactions energy: -428.680
where: short stacking energy: -202.498
Base-Backbone interact. energy: 1.309
local terms energy: -210.164143
where:
bonds (distance) C4'-P energy: -40.456
bonds (distance) P-C4' energy: -40.743
flat angles C4'-P-C4' energy: -43.105
flat angles P-C4'-P energy: -35.426
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: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -654.538391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.538391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.538391 (E_RNA)
where:
Base-Base interactions energy: -435.903
where: short stacking energy: -192.343
Base-Backbone interact. energy: 0.241
local terms energy: -218.876668
where:
bonds (distance) C4'-P energy: -34.931
bonds (distance) P-C4' energy: -47.021
flat angles C4'-P-C4' energy: -51.283
flat angles P-C4'-P energy: -31.255
tors. eta vs tors. theta energy: -54.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -507.764629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.764629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.764629 (E_RNA)
where:
Base-Base interactions energy: -330.782
where: short stacking energy: -142.548
Base-Backbone interact. energy: -0.689
local terms energy: -176.292820
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -51.067
flat angles C4'-P-C4' energy: -39.801
flat angles P-C4'-P energy: -26.825
tors. eta vs tors. theta energy: -25.563
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: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -306.041885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.041885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.041885 (E_RNA)
where:
Base-Base interactions energy: -173.122
where: short stacking energy: -101.141
Base-Backbone interact. energy: 1.514
local terms energy: -134.433240
where:
bonds (distance) C4'-P energy: -29.447
bonds (distance) P-C4' energy: -35.402
flat angles C4'-P-C4' energy: -37.263
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: -14.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -223.426929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.426929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.426929 (E_RNA)
where:
Base-Base interactions energy: -100.780
where: short stacking energy: -98.249
Base-Backbone interact. energy: 0.479
local terms energy: -123.126288
where:
bonds (distance) C4'-P energy: -34.464
bonds (distance) P-C4' energy: -40.878
flat angles C4'-P-C4' energy: -41.695
flat angles P-C4'-P energy: -4.553
tors. eta vs tors. theta energy: -1.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -851.495101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.495101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.495101 (E_RNA)
where:
Base-Base interactions energy: -603.503
where: short stacking energy: -260.473
Base-Backbone interact. energy: -0.791
local terms energy: -247.200578
where:
bonds (distance) C4'-P energy: -38.320
bonds (distance) P-C4' energy: -46.950
flat angles C4'-P-C4' energy: -52.621
flat angles P-C4'-P energy: -29.749
tors. eta vs tors. theta energy: -79.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -791.861434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.861434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.861434 (E_RNA)
where:
Base-Base interactions energy: -553.505
where: short stacking energy: -220.619
Base-Backbone interact. energy: -1.990
local terms energy: -236.366794
where:
bonds (distance) C4'-P energy: -40.871
bonds (distance) P-C4' energy: -51.517
flat angles C4'-P-C4' energy: -46.870
flat angles P-C4'-P energy: -38.211
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: 3, replica: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -794.448408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.448408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.448408 (E_RNA)
where:
Base-Base interactions energy: -559.863
where: short stacking energy: -244.116
Base-Backbone interact. energy: 0.155
local terms energy: -234.739977
where:
bonds (distance) C4'-P energy: -41.653
bonds (distance) P-C4' energy: -49.381
flat angles C4'-P-C4' energy: -51.804
flat angles P-C4'-P energy: -31.066
tors. eta vs tors. theta energy: -60.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -753.851136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.851136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.851136 (E_RNA)
where:
Base-Base interactions energy: -525.659
where: short stacking energy: -215.063
Base-Backbone interact. energy: -0.503
local terms energy: -227.689357
where:
bonds (distance) C4'-P energy: -38.102
bonds (distance) P-C4' energy: -47.118
flat angles C4'-P-C4' energy: -49.419
flat angles P-C4'-P energy: -33.743
tors. eta vs tors. theta energy: -59.308
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: 159
Temperature: 1.100000
Total energy: -722.935015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.935015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.935015 (E_RNA)
where:
Base-Base interactions energy: -494.407
where: short stacking energy: -212.895
Base-Backbone interact. energy: -0.105
local terms energy: -228.422810
where:
bonds (distance) C4'-P energy: -42.494
bonds (distance) P-C4' energy: -47.997
flat angles C4'-P-C4' energy: -43.160
flat angles P-C4'-P energy: -30.480
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: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -669.995711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.995711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.995711 (E_RNA)
where:
Base-Base interactions energy: -446.973
where: short stacking energy: -228.302
Base-Backbone interact. energy: -0.541
local terms energy: -222.482109
where:
bonds (distance) C4'-P energy: -31.779
bonds (distance) P-C4' energy: -52.100
flat angles C4'-P-C4' energy: -50.367
flat angles P-C4'-P energy: -32.378
tors. eta vs tors. theta energy: -55.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -620.636564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.636564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.636564 (E_RNA)
where:
Base-Base interactions energy: -405.745
where: short stacking energy: -183.857
Base-Backbone interact. energy: 0.098
local terms energy: -214.989091
where:
bonds (distance) C4'-P energy: -47.921
bonds (distance) P-C4' energy: -43.898
flat angles C4'-P-C4' energy: -47.370
flat angles P-C4'-P energy: -27.054
tors. eta vs tors. theta energy: -48.746
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: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -494.386786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.386786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.386786 (E_RNA)
where:
Base-Base interactions energy: -320.589
where: short stacking energy: -144.641
Base-Backbone interact. energy: -1.784
local terms energy: -172.013508
where:
bonds (distance) C4'-P energy: -47.700
bonds (distance) P-C4' energy: -34.511
flat angles C4'-P-C4' energy: -32.018
flat angles P-C4'-P energy: -29.891
tors. eta vs tors. theta energy: -27.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -314.343103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.343103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.343103 (E_RNA)
where:
Base-Base interactions energy: -169.630
where: short stacking energy: -92.640
Base-Backbone interact. energy: -0.182
local terms energy: -144.530943
where:
bonds (distance) C4'-P energy: -38.736
bonds (distance) P-C4' energy: -40.332
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -24.904
tors. eta vs tors. theta energy: -9.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -204.775234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.775234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.775234 (E_RNA)
where:
Base-Base interactions energy: -45.848
where: short stacking energy: -42.796
Base-Backbone interact. energy: 1.576
local terms energy: -160.502536
where:
bonds (distance) C4'-P energy: -47.185
bonds (distance) P-C4' energy: -43.763
flat angles C4'-P-C4' energy: -42.063
flat angles P-C4'-P energy: -31.958
tors. eta vs tors. theta energy: 4.465
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: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -862.256851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.256851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.256851 (E_RNA)
where:
Base-Base interactions energy: -590.441
where: short stacking energy: -254.379
Base-Backbone interact. energy: 1.071
local terms energy: -272.886999
where:
bonds (distance) C4'-P energy: -51.523
bonds (distance) P-C4' energy: -51.574
flat angles C4'-P-C4' energy: -55.735
flat angles P-C4'-P energy: -32.666
tors. eta vs tors. theta energy: -81.389
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: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -806.811687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.811687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.811687 (E_RNA)
where:
Base-Base interactions energy: -561.671
where: short stacking energy: -238.363
Base-Backbone interact. energy: -2.889
local terms energy: -242.251070
where:
bonds (distance) C4'-P energy: -47.781
bonds (distance) P-C4' energy: -39.249
flat angles C4'-P-C4' energy: -47.534
flat angles P-C4'-P energy: -43.273
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: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -792.454935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.454935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.454935 (E_RNA)
where:
Base-Base interactions energy: -567.166
where: short stacking energy: -236.120
Base-Backbone interact. energy: 0.020
local terms energy: -225.308963
where:
bonds (distance) C4'-P energy: -46.979
bonds (distance) P-C4' energy: -44.319
flat angles C4'-P-C4' energy: -46.689
flat angles P-C4'-P energy: -24.012
tors. eta vs tors. theta energy: -63.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -731.806190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.806190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.806190 (E_RNA)
where:
Base-Base interactions energy: -500.927
where: short stacking energy: -219.048
Base-Backbone interact. energy: 1.212
local terms energy: -232.090638
where:
bonds (distance) C4'-P energy: -46.529
bonds (distance) P-C4' energy: -45.453
flat angles C4'-P-C4' energy: -45.128
flat angles P-C4'-P energy: -32.266
tors. eta vs tors. theta energy: -62.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -718.819166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.819166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.819166 (E_RNA)
where:
Base-Base interactions energy: -496.645
where: short stacking energy: -213.476
Base-Backbone interact. energy: -1.636
local terms energy: -220.537914
where:
bonds (distance) C4'-P energy: -39.744
bonds (distance) P-C4' energy: -40.349
flat angles C4'-P-C4' energy: -51.380
flat angles P-C4'-P energy: -28.545
tors. eta vs tors. theta energy: -60.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -692.322918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.322918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.322918 (E_RNA)
where:
Base-Base interactions energy: -462.723
where: short stacking energy: -208.307
Base-Backbone interact. energy: -0.965
local terms energy: -228.634675
where:
bonds (distance) C4'-P energy: -47.723
bonds (distance) P-C4' energy: -43.993
flat angles C4'-P-C4' energy: -44.472
flat angles P-C4'-P energy: -35.383
tors. eta vs tors. theta energy: -57.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -602.681299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.681299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.681299 (E_RNA)
where:
Base-Base interactions energy: -398.930
where: short stacking energy: -166.405
Base-Backbone interact. energy: 0.319
local terms energy: -204.070584
where:
bonds (distance) C4'-P energy: -42.579
bonds (distance) P-C4' energy: -44.152
flat angles C4'-P-C4' energy: -45.242
flat angles P-C4'-P energy: -25.633
tors. eta vs tors. theta energy: -46.464
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: 8, replica: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -495.093314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.093314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.093314 (E_RNA)
where:
Base-Base interactions energy: -309.574
where: short stacking energy: -125.533
Base-Backbone interact. energy: -1.856
local terms energy: -183.663603
where:
bonds (distance) C4'-P energy: -35.621
bonds (distance) P-C4' energy: -48.382
flat angles C4'-P-C4' energy: -48.153
flat angles P-C4'-P energy: -26.304
tors. eta vs tors. theta energy: -25.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -325.337694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.337694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.337694 (E_RNA)
where:
Base-Base interactions energy: -169.109
where: short stacking energy: -107.572
Base-Backbone interact. energy: -0.162
local terms energy: -156.066376
where:
bonds (distance) C4'-P energy: -31.732
bonds (distance) P-C4' energy: -49.430
flat angles C4'-P-C4' energy: -32.711
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -232.106527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.106527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.106527 (E_RNA)
where:
Base-Base interactions energy: -83.910
where: short stacking energy: -78.840
Base-Backbone interact. energy: 0.137
local terms energy: -148.333732
where:
bonds (distance) C4'-P energy: -41.212
bonds (distance) P-C4' energy: -37.685
flat angles C4'-P-C4' energy: -37.118
flat angles P-C4'-P energy: -23.510
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -849.770095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.770095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.770095 (E_RNA)
where:
Base-Base interactions energy: -584.230
where: short stacking energy: -272.246
Base-Backbone interact. energy: -0.886
local terms energy: -264.654741
where:
bonds (distance) C4'-P energy: -44.128
bonds (distance) P-C4' energy: -51.423
flat angles C4'-P-C4' energy: -55.234
flat angles P-C4'-P energy: -36.318
tors. eta vs tors. theta energy: -77.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -829.915323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.915323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.915323 (E_RNA)
where:
Base-Base interactions energy: -580.768
where: short stacking energy: -253.962
Base-Backbone interact. energy: -1.113
local terms energy: -248.034145
where:
bonds (distance) C4'-P energy: -47.728
bonds (distance) P-C4' energy: -50.069
flat angles C4'-P-C4' energy: -55.011
flat angles P-C4'-P energy: -32.443
tors. eta vs tors. theta energy: -62.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -779.003860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.003860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.003860 (E_RNA)
where:
Base-Base interactions energy: -551.944
where: short stacking energy: -213.187
Base-Backbone interact. energy: -0.693
local terms energy: -226.367102
where:
bonds (distance) C4'-P energy: -39.481
bonds (distance) P-C4' energy: -49.812
flat angles C4'-P-C4' energy: -45.034
flat angles P-C4'-P energy: -32.046
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: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -747.439322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.439322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.439322 (E_RNA)
where:
Base-Base interactions energy: -528.254
where: short stacking energy: -221.367
Base-Backbone interact. energy: -0.571
local terms energy: -218.613688
where:
bonds (distance) C4'-P energy: -41.290
bonds (distance) P-C4' energy: -39.983
flat angles C4'-P-C4' energy: -41.222
flat angles P-C4'-P energy: -28.308
tors. eta vs tors. theta energy: -67.812
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: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -723.219850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.219850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.219850 (E_RNA)
where:
Base-Base interactions energy: -485.276
where: short stacking energy: -211.246
Base-Backbone interact. energy: -1.452
local terms energy: -236.491867
where:
bonds (distance) C4'-P energy: -44.561
bonds (distance) P-C4' energy: -46.952
flat angles C4'-P-C4' energy: -46.300
flat angles P-C4'-P energy: -36.966
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: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -674.827338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.827338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.827338 (E_RNA)
where:
Base-Base interactions energy: -466.474
where: short stacking energy: -202.304
Base-Backbone interact. energy: -0.714
local terms energy: -207.640027
where:
bonds (distance) C4'-P energy: -33.325
bonds (distance) P-C4' energy: -41.571
flat angles C4'-P-C4' energy: -48.595
flat angles P-C4'-P energy: -34.297
tors. eta vs tors. theta energy: -49.853
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: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -584.853849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.853849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.853849 (E_RNA)
where:
Base-Base interactions energy: -400.369
where: short stacking energy: -156.346
Base-Backbone interact. energy: -0.401
local terms energy: -184.084051
where:
bonds (distance) C4'-P energy: -27.171
bonds (distance) P-C4' energy: -46.861
flat angles C4'-P-C4' energy: -44.240
flat angles P-C4'-P energy: -32.511
tors. eta vs tors. theta energy: -33.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -508.645717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.645717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.645717 (E_RNA)
where:
Base-Base interactions energy: -324.147
where: short stacking energy: -140.987
Base-Backbone interact. energy: -0.840
local terms energy: -183.658657
where:
bonds (distance) C4'-P energy: -46.218
bonds (distance) P-C4' energy: -39.170
flat angles C4'-P-C4' energy: -50.241
flat angles P-C4'-P energy: -18.317
tors. eta vs tors. theta energy: -29.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -328.547989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.547989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.547989 (E_RNA)
where:
Base-Base interactions energy: -180.516
where: short stacking energy: -113.354
Base-Backbone interact. energy: 0.456
local terms energy: -148.487409
where:
bonds (distance) C4'-P energy: -43.514
bonds (distance) P-C4' energy: -35.290
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -20.534
tors. eta vs tors. theta energy: -17.212
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: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -229.564820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.564820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.564820 (E_RNA)
where:
Base-Base interactions energy: -107.280
where: short stacking energy: -73.130
Base-Backbone interact. energy: 0.511
local terms energy: -122.795898
where:
bonds (distance) C4'-P energy: -36.872
bonds (distance) P-C4' energy: -45.948
flat angles C4'-P-C4' energy: -29.747
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: 2.331
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: 1, replica: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -833.670228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.670228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.670228 (E_RNA)
where:
Base-Base interactions energy: -582.798
where: short stacking energy: -235.940
Base-Backbone interact. energy: -1.796
local terms energy: -249.076536
where:
bonds (distance) C4'-P energy: -53.000
bonds (distance) P-C4' energy: -49.721
flat angles C4'-P-C4' energy: -56.650
flat angles P-C4'-P energy: -30.675
tors. eta vs tors. theta energy: -59.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -834.216924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.216924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.216924 (E_RNA)
where:
Base-Base interactions energy: -580.551
where: short stacking energy: -259.596
Base-Backbone interact. energy: -0.867
local terms energy: -252.799505
where:
bonds (distance) C4'-P energy: -50.348
bonds (distance) P-C4' energy: -46.945
flat angles C4'-P-C4' energy: -48.586
flat angles P-C4'-P energy: -33.617
tors. eta vs tors. theta energy: -73.303
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: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -782.376444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.376444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.376444 (E_RNA)
where:
Base-Base interactions energy: -549.902
where: short stacking energy: -240.372
Base-Backbone interact. energy: -0.409
local terms energy: -232.064776
where:
bonds (distance) C4'-P energy: -38.790
bonds (distance) P-C4' energy: -43.258
flat angles C4'-P-C4' energy: -54.637
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -67.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -776.959467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.959467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.959467 (E_RNA)
where:
Base-Base interactions energy: -550.634
where: short stacking energy: -217.053
Base-Backbone interact. energy: -0.604
local terms energy: -225.721359
where:
bonds (distance) C4'-P energy: -39.939
bonds (distance) P-C4' energy: -46.308
flat angles C4'-P-C4' energy: -41.326
flat angles P-C4'-P energy: -36.166
tors. eta vs tors. theta energy: -61.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -710.139084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.139084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.139084 (E_RNA)
where:
Base-Base interactions energy: -494.824
where: short stacking energy: -217.186
Base-Backbone interact. energy: -1.380
local terms energy: -213.934850
where:
bonds (distance) C4'-P energy: -38.080
bonds (distance) P-C4' energy: -39.195
flat angles C4'-P-C4' energy: -44.756
flat angles P-C4'-P energy: -29.066
tors. eta vs tors. theta energy: -62.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -653.517187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.517187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.517187 (E_RNA)
where:
Base-Base interactions energy: -453.217
where: short stacking energy: -205.425
Base-Backbone interact. energy: -0.989
local terms energy: -199.311880
where:
bonds (distance) C4'-P energy: -36.811
bonds (distance) P-C4' energy: -40.807
flat angles C4'-P-C4' energy: -42.111
flat angles P-C4'-P energy: -28.002
tors. eta vs tors. theta energy: -51.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -597.581762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.581762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.581762 (E_RNA)
where:
Base-Base interactions energy: -396.210
where: short stacking energy: -182.120
Base-Backbone interact. energy: -1.280
local terms energy: -200.091870
where:
bonds (distance) C4'-P energy: -45.115
bonds (distance) P-C4' energy: -41.760
flat angles C4'-P-C4' energy: -44.178
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: -47.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -496.950987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.950987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.950987 (E_RNA)
where:
Base-Base interactions energy: -314.763
where: short stacking energy: -151.353
Base-Backbone interact. energy: -0.841
local terms energy: -181.347047
where:
bonds (distance) C4'-P energy: -38.138
bonds (distance) P-C4' energy: -44.174
flat angles C4'-P-C4' energy: -38.059
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -39.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -287.541809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.541809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.541809 (E_RNA)
where:
Base-Base interactions energy: -152.940
where: short stacking energy: -80.955
Base-Backbone interact. energy: -0.743
local terms energy: -133.858994
where:
bonds (distance) C4'-P energy: -33.916
bonds (distance) P-C4' energy: -44.136
flat angles C4'-P-C4' energy: -29.918
flat angles P-C4'-P energy: -25.759
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: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -304.119682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.119682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.119682 (E_RNA)
where:
Base-Base interactions energy: -168.219
where: short stacking energy: -100.239
Base-Backbone interact. energy: -0.240
local terms energy: -135.660762
where:
bonds (distance) C4'-P energy: -38.492
bonds (distance) P-C4' energy: -25.460
flat angles C4'-P-C4' energy: -40.545
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: -10.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -816.393431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.393431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.393431 (E_RNA)
where:
Base-Base interactions energy: -566.949
where: short stacking energy: -232.319
Base-Backbone interact. energy: -1.461
local terms energy: -247.983345
where:
bonds (distance) C4'-P energy: -47.861
bonds (distance) P-C4' energy: -46.802
flat angles C4'-P-C4' energy: -54.093
flat angles P-C4'-P energy: -35.186
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: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -833.748794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.748794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.748794 (E_RNA)
where:
Base-Base interactions energy: -572.813
where: short stacking energy: -247.372
Base-Backbone interact. energy: -0.781
local terms energy: -260.154536
where:
bonds (distance) C4'-P energy: -46.946
bonds (distance) P-C4' energy: -45.060
flat angles C4'-P-C4' energy: -54.007
flat angles P-C4'-P energy: -31.930
tors. eta vs tors. theta energy: -82.211
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: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -772.653269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.653269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.653269 (E_RNA)
where:
Base-Base interactions energy: -536.991
where: short stacking energy: -236.386
Base-Backbone interact. energy: -2.121
local terms energy: -233.541790
where:
bonds (distance) C4'-P energy: -42.956
bonds (distance) P-C4' energy: -48.407
flat angles C4'-P-C4' energy: -46.943
flat angles P-C4'-P energy: -28.028
tors. eta vs tors. theta energy: -67.207
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: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -757.903392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.903392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.903392 (E_RNA)
where:
Base-Base interactions energy: -533.204
where: short stacking energy: -215.055
Base-Backbone interact. energy: -1.788
local terms energy: -222.911524
where:
bonds (distance) C4'-P energy: -35.281
bonds (distance) P-C4' energy: -49.172
flat angles C4'-P-C4' energy: -47.513
flat angles P-C4'-P energy: -30.711
tors. eta vs tors. theta energy: -60.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -724.007801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.007801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.007801 (E_RNA)
where:
Base-Base interactions energy: -494.247
where: short stacking energy: -216.705
Base-Backbone interact. energy: -0.577
local terms energy: -229.182993
where:
bonds (distance) C4'-P energy: -45.088
bonds (distance) P-C4' energy: -50.692
flat angles C4'-P-C4' energy: -46.787
flat angles P-C4'-P energy: -27.381
tors. eta vs tors. theta energy: -59.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -654.706590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.706590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.706590 (E_RNA)
where:
Base-Base interactions energy: -450.318
where: short stacking energy: -198.473
Base-Backbone interact. energy: -0.224
local terms energy: -204.164727
where:
bonds (distance) C4'-P energy: -31.838
bonds (distance) P-C4' energy: -42.087
flat angles C4'-P-C4' energy: -50.685
flat angles P-C4'-P energy: -20.964
tors. eta vs tors. theta energy: -58.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -628.387166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.387166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.387166 (E_RNA)
where:
Base-Base interactions energy: -430.954
where: short stacking energy: -181.051
Base-Backbone interact. energy: -0.728
local terms energy: -196.704569
where:
bonds (distance) C4'-P energy: -41.071
bonds (distance) P-C4' energy: -37.369
flat angles C4'-P-C4' energy: -37.678
flat angles P-C4'-P energy: -33.525
tors. eta vs tors. theta energy: -47.061
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: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -526.526638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.526638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.526638 (E_RNA)
where:
Base-Base interactions energy: -345.541
where: short stacking energy: -157.472
Base-Backbone interact. energy: -2.491
local terms energy: -178.493892
where:
bonds (distance) C4'-P energy: -42.838
bonds (distance) P-C4' energy: -50.020
flat angles C4'-P-C4' energy: -31.469
flat angles P-C4'-P energy: -23.037
tors. eta vs tors. theta energy: -31.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -278.691829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.691829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.691829 (E_RNA)
where:
Base-Base interactions energy: -132.267
where: short stacking energy: -77.766
Base-Backbone interact. energy: -1.124
local terms energy: -145.300604
where:
bonds (distance) C4'-P energy: -44.765
bonds (distance) P-C4' energy: -33.347
flat angles C4'-P-C4' energy: -32.092
flat angles P-C4'-P energy: -35.872
tors. eta vs tors. theta energy: 0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -321.085330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.085330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.085330 (E_RNA)
where:
Base-Base interactions energy: -176.280
where: short stacking energy: -94.509
Base-Backbone interact. energy: 1.250
local terms energy: -146.055801
where:
bonds (distance) C4'-P energy: -37.674
bonds (distance) P-C4' energy: -40.997
flat angles C4'-P-C4' energy: -35.696
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -8.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -834.954840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.954840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.954840 (E_RNA)
where:
Base-Base interactions energy: -578.497
where: short stacking energy: -246.293
Base-Backbone interact. energy: -0.339
local terms energy: -256.118827
where:
bonds (distance) C4'-P energy: -50.430
bonds (distance) P-C4' energy: -48.755
flat angles C4'-P-C4' energy: -57.027
flat angles P-C4'-P energy: -33.518
tors. eta vs tors. theta energy: -66.390
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: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -815.895860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.895860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.895860 (E_RNA)
where:
Base-Base interactions energy: -563.328
where: short stacking energy: -235.364
Base-Backbone interact. energy: -1.666
local terms energy: -250.901116
where:
bonds (distance) C4'-P energy: -51.710
bonds (distance) P-C4' energy: -45.436
flat angles C4'-P-C4' energy: -54.495
flat angles P-C4'-P energy: -36.040
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: 3, replica: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -780.140835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.140835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.140835 (E_RNA)
where:
Base-Base interactions energy: -557.290
where: short stacking energy: -223.280
Base-Backbone interact. energy: -1.933
local terms energy: -220.918396
where:
bonds (distance) C4'-P energy: -35.765
bonds (distance) P-C4' energy: -45.820
flat angles C4'-P-C4' energy: -50.579
flat angles P-C4'-P energy: -28.759
tors. eta vs tors. theta energy: -59.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -764.906553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.906553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.906553 (E_RNA)
where:
Base-Base interactions energy: -526.191
where: short stacking energy: -227.670
Base-Backbone interact. energy: -1.523
local terms energy: -237.192576
where:
bonds (distance) C4'-P energy: -43.951
bonds (distance) P-C4' energy: -49.040
flat angles C4'-P-C4' energy: -47.476
flat angles P-C4'-P energy: -31.629
tors. eta vs tors. theta energy: -65.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -695.193517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.193517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.193517 (E_RNA)
where:
Base-Base interactions energy: -473.537
where: short stacking energy: -212.674
Base-Backbone interact. energy: -1.341
local terms energy: -220.315197
where:
bonds (distance) C4'-P energy: -47.616
bonds (distance) P-C4' energy: -42.947
flat angles C4'-P-C4' energy: -44.544
flat angles P-C4'-P energy: -30.258
tors. eta vs tors. theta energy: -54.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -657.077252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.077252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.077252 (E_RNA)
where:
Base-Base interactions energy: -447.856
where: short stacking energy: -197.722
Base-Backbone interact. energy: 0.973
local terms energy: -210.193806
where:
bonds (distance) C4'-P energy: -47.337
bonds (distance) P-C4' energy: -39.726
flat angles C4'-P-C4' energy: -43.856
flat angles P-C4'-P energy: -27.623
tors. eta vs tors. theta energy: -51.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -638.379168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.379168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.379168 (E_RNA)
where:
Base-Base interactions energy: -431.850
where: short stacking energy: -202.619
Base-Backbone interact. energy: 0.938
local terms energy: -207.466705
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -52.495
flat angles C4'-P-C4' energy: -47.501
flat angles P-C4'-P energy: -25.904
tors. eta vs tors. theta energy: -59.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -478.185661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.185661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.185661 (E_RNA)
where:
Base-Base interactions energy: -311.401
where: short stacking energy: -150.415
Base-Backbone interact. energy: 1.043
local terms energy: -167.827004
where:
bonds (distance) C4'-P energy: -43.027
bonds (distance) P-C4' energy: -45.066
flat angles C4'-P-C4' energy: -31.553
flat angles P-C4'-P energy: -26.630
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: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -330.791484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.791484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.791484 (E_RNA)
where:
Base-Base interactions energy: -176.072
where: short stacking energy: -87.068
Base-Backbone interact. energy: -1.285
local terms energy: -153.434576
where:
bonds (distance) C4'-P energy: -45.996
bonds (distance) P-C4' energy: -39.526
flat angles C4'-P-C4' energy: -44.687
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -5.711
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: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -248.795339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.795339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.795339 (E_RNA)
where:
Base-Base interactions energy: -115.582
where: short stacking energy: -71.593
Base-Backbone interact. energy: -0.374
local terms energy: -132.840096
where:
bonds (distance) C4'-P energy: -35.480
bonds (distance) P-C4' energy: -43.693
flat angles C4'-P-C4' energy: -36.092
flat angles P-C4'-P energy: -22.672
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: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -843.992656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.992656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.992656 (E_RNA)
where:
Base-Base interactions energy: -586.366
where: short stacking energy: -253.882
Base-Backbone interact. energy: 0.167
local terms energy: -257.793078
where:
bonds (distance) C4'-P energy: -45.983
bonds (distance) P-C4' energy: -49.191
flat angles C4'-P-C4' energy: -46.838
flat angles P-C4'-P energy: -35.679
tors. eta vs tors. theta energy: -80.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -811.507535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.507535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.507535 (E_RNA)
where:
Base-Base interactions energy: -573.002
where: short stacking energy: -228.340
Base-Backbone interact. energy: -2.156
local terms energy: -236.350283
where:
bonds (distance) C4'-P energy: -48.635
bonds (distance) P-C4' energy: -46.197
flat angles C4'-P-C4' energy: -44.325
flat angles P-C4'-P energy: -32.481
tors. eta vs tors. theta energy: -64.712
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: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -798.925216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.925216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.925216 (E_RNA)
where:
Base-Base interactions energy: -561.944
where: short stacking energy: -225.839
Base-Backbone interact. energy: 0.417
local terms energy: -237.398161
where:
bonds (distance) C4'-P energy: -43.223
bonds (distance) P-C4' energy: -48.334
flat angles C4'-P-C4' energy: -49.804
flat angles P-C4'-P energy: -37.408
tors. eta vs tors. theta energy: -58.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -762.134131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.134131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.134131 (E_RNA)
where:
Base-Base interactions energy: -526.332
where: short stacking energy: -222.286
Base-Backbone interact. energy: -0.410
local terms energy: -235.391530
where:
bonds (distance) C4'-P energy: -44.544
bonds (distance) P-C4' energy: -50.520
flat angles C4'-P-C4' energy: -47.059
flat angles P-C4'-P energy: -28.527
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: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -714.060233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.060233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.060233 (E_RNA)
where:
Base-Base interactions energy: -496.174
where: short stacking energy: -205.354
Base-Backbone interact. energy: -0.175
local terms energy: -217.711419
where:
bonds (distance) C4'-P energy: -41.638
bonds (distance) P-C4' energy: -38.118
flat angles C4'-P-C4' energy: -41.942
flat angles P-C4'-P energy: -33.435
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: 6, replica: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -651.677728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.677728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.677728 (E_RNA)
where:
Base-Base interactions energy: -434.960
where: short stacking energy: -190.179
Base-Backbone interact. energy: -0.314
local terms energy: -216.402943
where:
bonds (distance) C4'-P energy: -39.772
bonds (distance) P-C4' energy: -41.726
flat angles C4'-P-C4' energy: -52.130
flat angles P-C4'-P energy: -33.064
tors. eta vs tors. theta energy: -49.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -657.247163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.247163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.247163 (E_RNA)
where:
Base-Base interactions energy: -431.010
where: short stacking energy: -201.644
Base-Backbone interact. energy: -1.255
local terms energy: -224.981659
where:
bonds (distance) C4'-P energy: -42.434
bonds (distance) P-C4' energy: -45.355
flat angles C4'-P-C4' energy: -43.308
flat angles P-C4'-P energy: -38.792
tors. eta vs tors. theta energy: -55.093
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: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -520.730316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.730316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.730316 (E_RNA)
where:
Base-Base interactions energy: -343.554
where: short stacking energy: -147.356
Base-Backbone interact. energy: -0.414
local terms energy: -176.762250
where:
bonds (distance) C4'-P energy: -43.720
bonds (distance) P-C4' energy: -37.459
flat angles C4'-P-C4' energy: -35.794
flat angles P-C4'-P energy: -23.034
tors. eta vs tors. theta energy: -36.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -337.955889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.955889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.955889 (E_RNA)
where:
Base-Base interactions energy: -182.833
where: short stacking energy: -107.665
Base-Backbone interact. energy: -0.089
local terms energy: -155.033624
where:
bonds (distance) C4'-P energy: -36.370
bonds (distance) P-C4' energy: -38.991
flat angles C4'-P-C4' energy: -42.570
flat angles P-C4'-P energy: -25.754
tors. eta vs tors. theta energy: -11.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -211.973263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.973263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.973263 (E_RNA)
where:
Base-Base interactions energy: -82.934
where: short stacking energy: -64.634
Base-Backbone interact. energy: 0.389
local terms energy: -129.428354
where:
bonds (distance) C4'-P energy: -35.873
bonds (distance) P-C4' energy: -41.580
flat angles C4'-P-C4' energy: -43.809
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: 3.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -840.862536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.862536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.862536 (E_RNA)
where:
Base-Base interactions energy: -588.091
where: short stacking energy: -254.551
Base-Backbone interact. energy: -0.206
local terms energy: -252.565749
where:
bonds (distance) C4'-P energy: -42.875
bonds (distance) P-C4' energy: -52.735
flat angles C4'-P-C4' energy: -55.340
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -76.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -787.541895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.541895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.541895 (E_RNA)
where:
Base-Base interactions energy: -547.897
where: short stacking energy: -218.166
Base-Backbone interact. energy: 0.331
local terms energy: -239.976132
where:
bonds (distance) C4'-P energy: -41.689
bonds (distance) P-C4' energy: -51.403
flat angles C4'-P-C4' energy: -53.063
flat angles P-C4'-P energy: -34.673
tors. eta vs tors. theta energy: -59.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -795.316201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.316201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.316201 (E_RNA)
where:
Base-Base interactions energy: -558.943
where: short stacking energy: -218.602
Base-Backbone interact. energy: 0.550
local terms energy: -236.923525
where:
bonds (distance) C4'-P energy: -35.709
bonds (distance) P-C4' energy: -47.415
flat angles C4'-P-C4' energy: -53.172
flat angles P-C4'-P energy: -38.740
tors. eta vs tors. theta energy: -61.887
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: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -733.250096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.250096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.250096 (E_RNA)
where:
Base-Base interactions energy: -499.131
where: short stacking energy: -202.477
Base-Backbone interact. energy: -1.511
local terms energy: -232.608180
where:
bonds (distance) C4'-P energy: -48.130
bonds (distance) P-C4' energy: -45.877
flat angles C4'-P-C4' energy: -49.530
flat angles P-C4'-P energy: -34.027
tors. eta vs tors. theta energy: -55.045
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: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -694.022759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.022759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.022759 (E_RNA)
where:
Base-Base interactions energy: -477.918
where: short stacking energy: -208.259
Base-Backbone interact. energy: 0.733
local terms energy: -216.838159
where:
bonds (distance) C4'-P energy: -27.487
bonds (distance) P-C4' energy: -49.543
flat angles C4'-P-C4' energy: -50.533
flat angles P-C4'-P energy: -33.373
tors. eta vs tors. theta energy: -55.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -669.594075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.594075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.594075 (E_RNA)
where:
Base-Base interactions energy: -444.619
where: short stacking energy: -190.838
Base-Backbone interact. energy: -1.070
local terms energy: -223.904855
where:
bonds (distance) C4'-P energy: -38.191
bonds (distance) P-C4' energy: -45.144
flat angles C4'-P-C4' energy: -53.629
flat angles P-C4'-P energy: -27.528
tors. eta vs tors. theta energy: -59.414
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: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -636.154889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.154889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.154889 (E_RNA)
where:
Base-Base interactions energy: -436.148
where: short stacking energy: -194.911
Base-Backbone interact. energy: -0.125
local terms energy: -199.881242
where:
bonds (distance) C4'-P energy: -31.411
bonds (distance) P-C4' energy: -41.514
flat angles C4'-P-C4' energy: -40.533
flat angles P-C4'-P energy: -35.359
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: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -535.739961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.739961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.739961 (E_RNA)
where:
Base-Base interactions energy: -364.988
where: short stacking energy: -163.307
Base-Backbone interact. energy: 1.665
local terms energy: -172.417506
where:
bonds (distance) C4'-P energy: -41.326
bonds (distance) P-C4' energy: -40.771
flat angles C4'-P-C4' energy: -38.013
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: -30.092
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: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -330.364686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.364686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.364686 (E_RNA)
where:
Base-Base interactions energy: -171.277
where: short stacking energy: -94.678
Base-Backbone interact. energy: -1.040
local terms energy: -158.047497
where:
bonds (distance) C4'-P energy: -38.902
bonds (distance) P-C4' energy: -32.842
flat angles C4'-P-C4' energy: -39.468
flat angles P-C4'-P energy: -33.340
tors. eta vs tors. theta energy: -13.496
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: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -224.656379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.656379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.656379 (E_RNA)
where:
Base-Base interactions energy: -93.458
where: short stacking energy: -90.370
Base-Backbone interact. energy: -1.007
local terms energy: -130.191885
where:
bonds (distance) C4'-P energy: -28.522
bonds (distance) P-C4' energy: -39.694
flat angles C4'-P-C4' energy: -28.094
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -14.143
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: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -846.755879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.755879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.755879 (E_RNA)
where:
Base-Base interactions energy: -582.869
where: short stacking energy: -252.748
Base-Backbone interact. energy: -0.695
local terms energy: -263.191275
where:
bonds (distance) C4'-P energy: -46.731
bonds (distance) P-C4' energy: -47.931
flat angles C4'-P-C4' energy: -52.566
flat angles P-C4'-P energy: -37.458
tors. eta vs tors. theta energy: -78.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -796.514324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.514324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.514324 (E_RNA)
where:
Base-Base interactions energy: -552.107
where: short stacking energy: -232.705
Base-Backbone interact. energy: -1.132
local terms energy: -243.275646
where:
bonds (distance) C4'-P energy: -44.261
bonds (distance) P-C4' energy: -47.173
flat angles C4'-P-C4' energy: -55.781
flat angles P-C4'-P energy: -33.858
tors. eta vs tors. theta energy: -62.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -772.945368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.945368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.945368 (E_RNA)
where:
Base-Base interactions energy: -536.951
where: short stacking energy: -216.215
Base-Backbone interact. energy: 0.201
local terms energy: -236.195185
where:
bonds (distance) C4'-P energy: -39.191
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -54.077
flat angles P-C4'-P energy: -33.941
tors. eta vs tors. theta energy: -65.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -764.629656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.629656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.629656 (E_RNA)
where:
Base-Base interactions energy: -541.532
where: short stacking energy: -230.191
Base-Backbone interact. energy: 0.054
local terms energy: -223.151785
where:
bonds (distance) C4'-P energy: -37.398
bonds (distance) P-C4' energy: -44.653
flat angles C4'-P-C4' energy: -43.472
flat angles P-C4'-P energy: -36.356
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: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -701.029782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.029782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.029782 (E_RNA)
where:
Base-Base interactions energy: -495.761
where: short stacking energy: -211.354
Base-Backbone interact. energy: -0.604
local terms energy: -204.664977
where:
bonds (distance) C4'-P energy: -29.041
bonds (distance) P-C4' energy: -44.204
flat angles C4'-P-C4' energy: -48.108
flat angles P-C4'-P energy: -27.838
tors. eta vs tors. theta energy: -55.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -652.898117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.898117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.898117 (E_RNA)
where:
Base-Base interactions energy: -443.014
where: short stacking energy: -204.342
Base-Backbone interact. energy: 1.812
local terms energy: -211.696211
where:
bonds (distance) C4'-P energy: -42.893
bonds (distance) P-C4' energy: -35.311
flat angles C4'-P-C4' energy: -42.632
flat angles P-C4'-P energy: -33.129
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: 7, replica: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -658.964732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.964732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.964732 (E_RNA)
where:
Base-Base interactions energy: -442.128
where: short stacking energy: -191.251
Base-Backbone interact. energy: -0.806
local terms energy: -216.031258
where:
bonds (distance) C4'-P energy: -34.601
bonds (distance) P-C4' energy: -39.140
flat angles C4'-P-C4' energy: -48.401
flat angles P-C4'-P energy: -37.383
tors. eta vs tors. theta energy: -56.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -568.684725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.684725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.684725 (E_RNA)
where:
Base-Base interactions energy: -373.531
where: short stacking energy: -161.974
Base-Backbone interact. energy: -0.465
local terms energy: -194.689151
where:
bonds (distance) C4'-P energy: -44.174
bonds (distance) P-C4' energy: -39.255
flat angles C4'-P-C4' energy: -49.784
flat angles P-C4'-P energy: -22.813
tors. eta vs tors. theta energy: -38.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -346.009033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.009033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.009033 (E_RNA)
where:
Base-Base interactions energy: -198.137
where: short stacking energy: -107.223
Base-Backbone interact. energy: -1.431
local terms energy: -146.440670
where:
bonds (distance) C4'-P energy: -38.015
bonds (distance) P-C4' energy: -42.596
flat angles C4'-P-C4' energy: -36.429
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -12.471
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: 10, replica: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -208.969233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.969233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.969233 (E_RNA)
where:
Base-Base interactions energy: -87.706
where: short stacking energy: -81.245
Base-Backbone interact. energy: -0.790
local terms energy: -120.473556
where:
bonds (distance) C4'-P energy: -35.731
bonds (distance) P-C4' energy: -29.875
flat angles C4'-P-C4' energy: -36.576
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -8.306
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: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -858.302864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.302864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.302864 (E_RNA)
where:
Base-Base interactions energy: -591.021
where: short stacking energy: -248.446
Base-Backbone interact. energy: -0.549
local terms energy: -266.733409
where:
bonds (distance) C4'-P energy: -43.725
bonds (distance) P-C4' energy: -49.246
flat angles C4'-P-C4' energy: -58.762
flat angles P-C4'-P energy: -36.365
tors. eta vs tors. theta energy: -78.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -788.800822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.800822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.800822 (E_RNA)
where:
Base-Base interactions energy: -541.072
where: short stacking energy: -220.853
Base-Backbone interact. energy: -0.589
local terms energy: -247.140568
where:
bonds (distance) C4'-P energy: -37.796
bonds (distance) P-C4' energy: -49.677
flat angles C4'-P-C4' energy: -53.327
flat angles P-C4'-P energy: -40.637
tors. eta vs tors. theta energy: -65.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -791.834038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.834038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.834038 (E_RNA)
where:
Base-Base interactions energy: -558.126
where: short stacking energy: -215.703
Base-Backbone interact. energy: 3.372
local terms energy: -237.080375
where:
bonds (distance) C4'-P energy: -43.817
bonds (distance) P-C4' energy: -43.309
flat angles C4'-P-C4' energy: -50.254
flat angles P-C4'-P energy: -38.907
tors. eta vs tors. theta energy: -60.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -747.886953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.886953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.886953 (E_RNA)
where:
Base-Base interactions energy: -519.238
where: short stacking energy: -227.946
Base-Backbone interact. energy: -0.367
local terms energy: -228.282293
where:
bonds (distance) C4'-P energy: -38.596
bonds (distance) P-C4' energy: -54.196
flat angles C4'-P-C4' energy: -44.996
flat angles P-C4'-P energy: -24.270
tors. eta vs tors. theta energy: -66.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -710.869367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.869367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.869367 (E_RNA)
where:
Base-Base interactions energy: -486.005
where: short stacking energy: -210.566
Base-Backbone interact. energy: -1.408
local terms energy: -223.456260
where:
bonds (distance) C4'-P energy: -42.250
bonds (distance) P-C4' energy: -44.056
flat angles C4'-P-C4' energy: -48.468
flat angles P-C4'-P energy: -33.946
tors. eta vs tors. theta energy: -54.736
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: 168
Temperature: 1.150000
Total energy: -658.680649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.680649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.680649 (E_RNA)
where:
Base-Base interactions energy: -442.761
where: short stacking energy: -193.491
Base-Backbone interact. energy: 0.590
local terms energy: -216.509892
where:
bonds (distance) C4'-P energy: -48.812
bonds (distance) P-C4' energy: -39.809
flat angles C4'-P-C4' energy: -47.306
flat angles P-C4'-P energy: -36.162
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: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -617.986102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.986102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.986102 (E_RNA)
where:
Base-Base interactions energy: -415.503
where: short stacking energy: -185.093
Base-Backbone interact. energy: 0.126
local terms energy: -202.609060
where:
bonds (distance) C4'-P energy: -38.607
bonds (distance) P-C4' energy: -43.456
flat angles C4'-P-C4' energy: -49.081
flat angles P-C4'-P energy: -22.525
tors. eta vs tors. theta energy: -48.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -572.313416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.313416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.313416 (E_RNA)
where:
Base-Base interactions energy: -394.248
where: short stacking energy: -168.954
Base-Backbone interact. energy: -0.500
local terms energy: -177.566318
where:
bonds (distance) C4'-P energy: -34.765
bonds (distance) P-C4' energy: -35.111
flat angles C4'-P-C4' energy: -35.940
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: -44.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -335.816805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.816805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.816805 (E_RNA)
where:
Base-Base interactions energy: -190.238
where: short stacking energy: -101.556
Base-Backbone interact. energy: 2.917
local terms energy: -148.495738
where:
bonds (distance) C4'-P energy: -35.472
bonds (distance) P-C4' energy: -39.867
flat angles C4'-P-C4' energy: -32.160
flat angles P-C4'-P energy: -26.760
tors. eta vs tors. theta energy: -14.236
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: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -203.939906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.939906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.939906 (E_RNA)
where:
Base-Base interactions energy: -82.999
where: short stacking energy: -72.363
Base-Backbone interact. energy: 0.265
local terms energy: -121.205873
where:
bonds (distance) C4'-P energy: -27.990
bonds (distance) P-C4' energy: -39.157
flat angles C4'-P-C4' energy: -34.913
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -859.423267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.423267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.423267 (E_RNA)
where:
Base-Base interactions energy: -602.306
where: short stacking energy: -263.423
Base-Backbone interact. energy: -0.283
local terms energy: -256.833943
where:
bonds (distance) C4'-P energy: -44.544
bonds (distance) P-C4' energy: -45.235
flat angles C4'-P-C4' energy: -48.317
flat angles P-C4'-P energy: -42.198
tors. eta vs tors. theta energy: -76.540
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: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -802.245410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.245410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.245410 (E_RNA)
where:
Base-Base interactions energy: -566.098
where: short stacking energy: -227.154
Base-Backbone interact. energy: -2.467
local terms energy: -233.680185
where:
bonds (distance) C4'-P energy: -48.732
bonds (distance) P-C4' energy: -46.645
flat angles C4'-P-C4' energy: -47.194
flat angles P-C4'-P energy: -26.681
tors. eta vs tors. theta energy: -64.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -788.221085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.221085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.221085 (E_RNA)
where:
Base-Base interactions energy: -565.560
where: short stacking energy: -238.984
Base-Backbone interact. energy: -1.643
local terms energy: -221.017933
where:
bonds (distance) C4'-P energy: -44.393
bonds (distance) P-C4' energy: -41.633
flat angles C4'-P-C4' energy: -45.292
flat angles P-C4'-P energy: -25.879
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: 4, replica: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -738.808861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.808861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.808861 (E_RNA)
where:
Base-Base interactions energy: -520.374
where: short stacking energy: -216.473
Base-Backbone interact. energy: -2.724
local terms energy: -215.710815
where:
bonds (distance) C4'-P energy: -46.839
bonds (distance) P-C4' energy: -45.266
flat angles C4'-P-C4' energy: -40.116
flat angles P-C4'-P energy: -27.534
tors. eta vs tors. theta energy: -55.955
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: 169
Temperature: 1.100000
Total energy: -676.070005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.070005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.070005 (E_RNA)
where:
Base-Base interactions energy: -470.674
where: short stacking energy: -194.503
Base-Backbone interact. energy: -0.194
local terms energy: -205.201958
where:
bonds (distance) C4'-P energy: -33.419
bonds (distance) P-C4' energy: -36.896
flat angles C4'-P-C4' energy: -45.260
flat angles P-C4'-P energy: -36.797
tors. eta vs tors. theta energy: -52.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -637.308239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.308239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.308239 (E_RNA)
where:
Base-Base interactions energy: -425.326
where: short stacking energy: -192.356
Base-Backbone interact. energy: -3.240
local terms energy: -208.742698
where:
bonds (distance) C4'-P energy: -35.579
bonds (distance) P-C4' energy: -41.090
flat angles C4'-P-C4' energy: -47.445
flat angles P-C4'-P energy: -33.423
tors. eta vs tors. theta energy: -51.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -664.136114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.136114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.136114 (E_RNA)
where:
Base-Base interactions energy: -440.934
where: short stacking energy: -199.104
Base-Backbone interact. energy: -0.854
local terms energy: -222.347391
where:
bonds (distance) C4'-P energy: -43.690
bonds (distance) P-C4' energy: -45.309
flat angles C4'-P-C4' energy: -49.508
flat angles P-C4'-P energy: -30.069
tors. eta vs tors. theta energy: -53.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -610.001940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.001940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.001940 (E_RNA)
where:
Base-Base interactions energy: -415.825
where: short stacking energy: -172.759
Base-Backbone interact. energy: -0.493
local terms energy: -193.683211
where:
bonds (distance) C4'-P energy: -45.972
bonds (distance) P-C4' energy: -32.544
flat angles C4'-P-C4' energy: -43.212
flat angles P-C4'-P energy: -32.420
tors. eta vs tors. theta energy: -39.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -357.266115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.266115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.266115 (E_RNA)
where:
Base-Base interactions energy: -210.496
where: short stacking energy: -104.348
Base-Backbone interact. energy: 0.195
local terms energy: -146.965357
where:
bonds (distance) C4'-P energy: -39.906
bonds (distance) P-C4' energy: -31.986
flat angles C4'-P-C4' energy: -39.421
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: -13.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -211.994163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.994163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.994163 (E_RNA)
where:
Base-Base interactions energy: -85.807
where: short stacking energy: -71.472
Base-Backbone interact. energy: -0.593
local terms energy: -125.593604
where:
bonds (distance) C4'-P energy: -38.669
bonds (distance) P-C4' energy: -32.664
flat angles C4'-P-C4' energy: -31.724
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -841.908750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.908750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.908750 (E_RNA)
where:
Base-Base interactions energy: -575.747
where: short stacking energy: -248.882
Base-Backbone interact. energy: -0.380
local terms energy: -265.782636
where:
bonds (distance) C4'-P energy: -50.440
bonds (distance) P-C4' energy: -48.056
flat angles C4'-P-C4' energy: -49.498
flat angles P-C4'-P energy: -38.535
tors. eta vs tors. theta energy: -79.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -797.757474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.757474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.757474 (E_RNA)
where:
Base-Base interactions energy: -555.244
where: short stacking energy: -230.641
Base-Backbone interact. energy: -1.124
local terms energy: -241.389055
where:
bonds (distance) C4'-P energy: -49.027
bonds (distance) P-C4' energy: -48.677
flat angles C4'-P-C4' energy: -48.027
flat angles P-C4'-P energy: -34.608
tors. eta vs tors. theta energy: -61.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -811.224712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.224712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.224712 (E_RNA)
where:
Base-Base interactions energy: -571.733
where: short stacking energy: -238.432
Base-Backbone interact. energy: -1.740
local terms energy: -237.751256
where:
bonds (distance) C4'-P energy: -41.287
bonds (distance) P-C4' energy: -43.519
flat angles C4'-P-C4' energy: -56.321
flat angles P-C4'-P energy: -34.345
tors. eta vs tors. theta energy: -62.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -739.168604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.168604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.168604 (E_RNA)
where:
Base-Base interactions energy: -527.872
where: short stacking energy: -220.782
Base-Backbone interact. energy: -0.948
local terms energy: -210.348474
where:
bonds (distance) C4'-P energy: -30.746
bonds (distance) P-C4' energy: -42.269
flat angles C4'-P-C4' energy: -46.867
flat angles P-C4'-P energy: -26.589
tors. eta vs tors. theta energy: -63.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -701.151835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.151835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.151835 (E_RNA)
where:
Base-Base interactions energy: -471.575
where: short stacking energy: -189.987
Base-Backbone interact. energy: 0.239
local terms energy: -229.816485
where:
bonds (distance) C4'-P energy: -44.627
bonds (distance) P-C4' energy: -45.117
flat angles C4'-P-C4' energy: -55.455
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -59.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -678.428356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.428356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.428356 (E_RNA)
where:
Base-Base interactions energy: -463.034
where: short stacking energy: -201.558
Base-Backbone interact. energy: -0.286
local terms energy: -215.108535
where:
bonds (distance) C4'-P energy: -40.769
bonds (distance) P-C4' energy: -47.101
flat angles C4'-P-C4' energy: -41.555
flat angles P-C4'-P energy: -31.451
tors. eta vs tors. theta energy: -54.231
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: 4
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -632.408476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.408476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.408476 (E_RNA)
where:
Base-Base interactions energy: -437.959
where: short stacking energy: -191.269
Base-Backbone interact. energy: -1.803
local terms energy: -192.646402
where:
bonds (distance) C4'-P energy: -34.301
bonds (distance) P-C4' energy: -44.091
flat angles C4'-P-C4' energy: -38.847
flat angles P-C4'-P energy: -25.838
tors. eta vs tors. theta energy: -49.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -632.739252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.739252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.739252 (E_RNA)
where:
Base-Base interactions energy: -437.119
where: short stacking energy: -197.008
Base-Backbone interact. energy: -1.032
local terms energy: -194.588749
where:
bonds (distance) C4'-P energy: -38.643
bonds (distance) P-C4' energy: -35.733
flat angles C4'-P-C4' energy: -36.922
flat angles P-C4'-P energy: -35.215
tors. eta vs tors. theta energy: -48.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -346.036845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.036845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.036845 (E_RNA)
where:
Base-Base interactions energy: -195.042
where: short stacking energy: -109.484
Base-Backbone interact. energy: -0.318
local terms energy: -150.676688
where:
bonds (distance) C4'-P energy: -26.384
bonds (distance) P-C4' energy: -41.776
flat angles C4'-P-C4' energy: -36.578
flat angles P-C4'-P energy: -29.198
tors. eta vs tors. theta energy: -16.740
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: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -196.728958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.728958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.728958 (E_RNA)
where:
Base-Base interactions energy: -71.436
where: short stacking energy: -62.644
Base-Backbone interact. energy: 0.289
local terms energy: -125.581769
where:
bonds (distance) C4'-P energy: -48.241
bonds (distance) P-C4' energy: -40.917
flat angles C4'-P-C4' energy: -26.648
flat angles P-C4'-P energy: -12.735
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: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -854.838341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.838341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.838341 (E_RNA)
where:
Base-Base interactions energy: -584.146
where: short stacking energy: -270.619
Base-Backbone interact. energy: 0.879
local terms energy: -271.570861
where:
bonds (distance) C4'-P energy: -44.691
bonds (distance) P-C4' energy: -51.109
flat angles C4'-P-C4' energy: -55.635
flat angles P-C4'-P energy: -38.190
tors. eta vs tors. theta energy: -81.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -814.780260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.780260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.780260 (E_RNA)
where:
Base-Base interactions energy: -578.213
where: short stacking energy: -229.518
Base-Backbone interact. energy: -1.313
local terms energy: -235.254079
where:
bonds (distance) C4'-P energy: -41.231
bonds (distance) P-C4' energy: -46.861
flat angles C4'-P-C4' energy: -50.548
flat angles P-C4'-P energy: -33.053
tors. eta vs tors. theta energy: -63.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -783.634486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.634486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.634486 (E_RNA)
where:
Base-Base interactions energy: -547.187
where: short stacking energy: -232.316
Base-Backbone interact. energy: -2.048
local terms energy: -234.399642
where:
bonds (distance) C4'-P energy: -41.059
bonds (distance) P-C4' energy: -42.518
flat angles C4'-P-C4' energy: -55.629
flat angles P-C4'-P energy: -25.149
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: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -745.418373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.418373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.418373 (E_RNA)
where:
Base-Base interactions energy: -511.521
where: short stacking energy: -216.905
Base-Backbone interact. energy: -0.570
local terms energy: -233.327506
where:
bonds (distance) C4'-P energy: -42.228
bonds (distance) P-C4' energy: -40.268
flat angles C4'-P-C4' energy: -50.164
flat angles P-C4'-P energy: -30.839
tors. eta vs tors. theta energy: -69.829
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: 171
Temperature: 1.100000
Total energy: -722.988578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.988578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.988578 (E_RNA)
where:
Base-Base interactions energy: -495.126
where: short stacking energy: -226.861
Base-Backbone interact. energy: -1.359
local terms energy: -226.503137
where:
bonds (distance) C4'-P energy: -37.167
bonds (distance) P-C4' energy: -40.788
flat angles C4'-P-C4' energy: -53.764
flat angles P-C4'-P energy: -29.894
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: 6, replica: 2
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -665.350854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.350854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.350854 (E_RNA)
where:
Base-Base interactions energy: -453.013
where: short stacking energy: -205.459
Base-Backbone interact. energy: -0.506
local terms energy: -211.832059
where:
bonds (distance) C4'-P energy: -29.107
bonds (distance) P-C4' energy: -46.884
flat angles C4'-P-C4' energy: -46.948
flat angles P-C4'-P energy: -32.791
tors. eta vs tors. theta energy: -56.102
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: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -655.072453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.072453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.072453 (E_RNA)
where:
Base-Base interactions energy: -445.731
where: short stacking energy: -196.906
Base-Backbone interact. energy: 7.930
local terms energy: -217.271256
where:
bonds (distance) C4'-P energy: -45.054
bonds (distance) P-C4' energy: -45.974
flat angles C4'-P-C4' energy: -44.692
flat angles P-C4'-P energy: -34.484
tors. eta vs tors. theta energy: -47.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -623.350587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.350587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.350587 (E_RNA)
where:
Base-Base interactions energy: -428.835
where: short stacking energy: -183.574
Base-Backbone interact. energy: 0.944
local terms energy: -195.459279
where:
bonds (distance) C4'-P energy: -31.887
bonds (distance) P-C4' energy: -41.878
flat angles C4'-P-C4' energy: -45.525
flat angles P-C4'-P energy: -31.768
tors. eta vs tors. theta energy: -44.401
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: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -324.785263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.785263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.785263 (E_RNA)
where:
Base-Base interactions energy: -180.221
where: short stacking energy: -95.187
Base-Backbone interact. energy: 1.905
local terms energy: -146.469781
where:
bonds (distance) C4'-P energy: -40.872
bonds (distance) P-C4' energy: -42.759
flat angles C4'-P-C4' energy: -38.125
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -11.164
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: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -197.940442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.940442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.940442 (E_RNA)
where:
Base-Base interactions energy: -82.939
where: short stacking energy: -61.757
Base-Backbone interact. energy: -0.235
local terms energy: -114.766532
where:
bonds (distance) C4'-P energy: -34.066
bonds (distance) P-C4' energy: -37.683
flat angles C4'-P-C4' energy: -29.242
flat angles P-C4'-P energy: -20.859
tors. eta vs tors. theta energy: 7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -855.772649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.772649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.772649 (E_RNA)
where:
Base-Base interactions energy: -588.027
where: short stacking energy: -262.061
Base-Backbone interact. energy: -0.058
local terms energy: -267.687725
where:
bonds (distance) C4'-P energy: -42.797
bonds (distance) P-C4' energy: -52.865
flat angles C4'-P-C4' energy: -56.601
flat angles P-C4'-P energy: -36.365
tors. eta vs tors. theta energy: -79.060
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: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -817.030314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.030314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.030314 (E_RNA)
where:
Base-Base interactions energy: -569.146
where: short stacking energy: -229.090
Base-Backbone interact. energy: -0.975
local terms energy: -246.910063
where:
bonds (distance) C4'-P energy: -52.492
bonds (distance) P-C4' energy: -48.840
flat angles C4'-P-C4' energy: -49.356
flat angles P-C4'-P energy: -34.245
tors. eta vs tors. theta energy: -61.977
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: 172
Temperature: 1.000000
Total energy: -782.990857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.990857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.990857 (E_RNA)
where:
Base-Base interactions energy: -541.116
where: short stacking energy: -230.540
Base-Backbone interact. energy: -0.168
local terms energy: -241.706981
where:
bonds (distance) C4'-P energy: -44.855
bonds (distance) P-C4' energy: -40.577
flat angles C4'-P-C4' energy: -52.189
flat angles P-C4'-P energy: -36.976
tors. eta vs tors. theta energy: -67.110
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: 4, replica: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -742.017764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.017764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.017764 (E_RNA)
where:
Base-Base interactions energy: -521.538
where: short stacking energy: -205.061
Base-Backbone interact. energy: 0.128
local terms energy: -220.607884
where:
bonds (distance) C4'-P energy: -47.192
bonds (distance) P-C4' energy: -38.894
flat angles C4'-P-C4' energy: -53.535
flat angles P-C4'-P energy: -28.919
tors. eta vs tors. theta energy: -52.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -719.778421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.778421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.778421 (E_RNA)
where:
Base-Base interactions energy: -491.676
where: short stacking energy: -220.289
Base-Backbone interact. energy: 0.888
local terms energy: -228.990968
where:
bonds (distance) C4'-P energy: -45.947
bonds (distance) P-C4' energy: -43.255
flat angles C4'-P-C4' energy: -49.026
flat angles P-C4'-P energy: -30.602
tors. eta vs tors. theta energy: -60.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -673.106324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.106324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.106324 (E_RNA)
where:
Base-Base interactions energy: -462.287
where: short stacking energy: -182.392
Base-Backbone interact. energy: 0.390
local terms energy: -211.209732
where:
bonds (distance) C4'-P energy: -42.931
bonds (distance) P-C4' energy: -42.734
flat angles C4'-P-C4' energy: -45.128
flat angles P-C4'-P energy: -28.778
tors. eta vs tors. theta energy: -51.639
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: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -676.046502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.046502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.046502 (E_RNA)
where:
Base-Base interactions energy: -449.350
where: short stacking energy: -189.032
Base-Backbone interact. energy: -2.094
local terms energy: -224.601992
where:
bonds (distance) C4'-P energy: -48.771
bonds (distance) P-C4' energy: -38.519
flat angles C4'-P-C4' energy: -46.685
flat angles P-C4'-P energy: -37.278
tors. eta vs tors. theta energy: -53.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -624.574433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.574433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.574433 (E_RNA)
where:
Base-Base interactions energy: -413.006
where: short stacking energy: -183.668
Base-Backbone interact. energy: 0.647
local terms energy: -212.214849
where:
bonds (distance) C4'-P energy: -39.324
bonds (distance) P-C4' energy: -43.184
flat angles C4'-P-C4' energy: -43.042
flat angles P-C4'-P energy: -31.838
tors. eta vs tors. theta energy: -54.827
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: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -344.503496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.503496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.503496 (E_RNA)
where:
Base-Base interactions energy: -177.498
where: short stacking energy: -107.605
Base-Backbone interact. energy: -0.682
local terms energy: -166.323013
where:
bonds (distance) C4'-P energy: -39.249
bonds (distance) P-C4' energy: -40.347
flat angles C4'-P-C4' energy: -41.955
flat angles P-C4'-P energy: -23.363
tors. eta vs tors. theta energy: -21.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -222.855232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.855232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.855232 (E_RNA)
where:
Base-Base interactions energy: -79.539
where: short stacking energy: -66.284
Base-Backbone interact. energy: 0.989
local terms energy: -144.304468
where:
bonds (distance) C4'-P energy: -41.122
bonds (distance) P-C4' energy: -46.712
flat angles C4'-P-C4' energy: -37.150
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: -3.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -837.483015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.483015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.483015 (E_RNA)
where:
Base-Base interactions energy: -570.200
where: short stacking energy: -244.399
Base-Backbone interact. energy: -0.975
local terms energy: -266.308428
where:
bonds (distance) C4'-P energy: -42.975
bonds (distance) P-C4' energy: -53.649
flat angles C4'-P-C4' energy: -54.517
flat angles P-C4'-P energy: -34.923
tors. eta vs tors. theta energy: -80.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -803.401160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.401160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.401160 (E_RNA)
where:
Base-Base interactions energy: -553.049
where: short stacking energy: -231.203
Base-Backbone interact. energy: -0.504
local terms energy: -249.847938
where:
bonds (distance) C4'-P energy: -47.439
bonds (distance) P-C4' energy: -48.446
flat angles C4'-P-C4' energy: -52.734
flat angles P-C4'-P energy: -38.438
tors. eta vs tors. theta energy: -62.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -758.117501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.117501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.117501 (E_RNA)
where:
Base-Base interactions energy: -521.501
where: short stacking energy: -221.204
Base-Backbone interact. energy: -1.480
local terms energy: -235.136779
where:
bonds (distance) C4'-P energy: -42.842
bonds (distance) P-C4' energy: -49.349
flat angles C4'-P-C4' energy: -40.766
flat angles P-C4'-P energy: -38.060
tors. eta vs tors. theta energy: -64.119
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: 173
Temperature: 1.050000
Total energy: -725.985265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.985265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.985265 (E_RNA)
where:
Base-Base interactions energy: -498.275
where: short stacking energy: -223.204
Base-Backbone interact. energy: -0.326
local terms energy: -227.383816
where:
bonds (distance) C4'-P energy: -44.951
bonds (distance) P-C4' energy: -40.249
flat angles C4'-P-C4' energy: -42.897
flat angles P-C4'-P energy: -33.407
tors. eta vs tors. theta energy: -65.880
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: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -719.878597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.878597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.878597 (E_RNA)
where:
Base-Base interactions energy: -513.121
where: short stacking energy: -205.487
Base-Backbone interact. energy: -0.892
local terms energy: -205.865190
where:
bonds (distance) C4'-P energy: -37.501
bonds (distance) P-C4' energy: -45.913
flat angles C4'-P-C4' energy: -46.142
flat angles P-C4'-P energy: -27.590
tors. eta vs tors. theta energy: -48.719
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: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -666.816507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.816507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.816507 (E_RNA)
where:
Base-Base interactions energy: -459.743
where: short stacking energy: -208.243
Base-Backbone interact. energy: -0.184
local terms energy: -206.889294
where:
bonds (distance) C4'-P energy: -36.354
bonds (distance) P-C4' energy: -48.162
flat angles C4'-P-C4' energy: -41.942
flat angles P-C4'-P energy: -28.752
tors. eta vs tors. theta energy: -51.680
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: 7, replica: 2
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -656.412366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.412366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.412366 (E_RNA)
where:
Base-Base interactions energy: -449.369
where: short stacking energy: -186.341
Base-Backbone interact. energy: -1.225
local terms energy: -205.817835
where:
bonds (distance) C4'-P energy: -48.796
bonds (distance) P-C4' energy: -38.356
flat angles C4'-P-C4' energy: -38.317
flat angles P-C4'-P energy: -33.981
tors. eta vs tors. theta energy: -46.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -645.691984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.691984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.691984 (E_RNA)
where:
Base-Base interactions energy: -433.174
where: short stacking energy: -193.063
Base-Backbone interact. energy: -0.249
local terms energy: -212.269602
where:
bonds (distance) C4'-P energy: -37.270
bonds (distance) P-C4' energy: -47.522
flat angles C4'-P-C4' energy: -42.434
flat angles P-C4'-P energy: -31.843
tors. eta vs tors. theta energy: -53.200
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: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -342.284374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.284374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.284374 (E_RNA)
where:
Base-Base interactions energy: -194.830
where: short stacking energy: -109.816
Base-Backbone interact. energy: -1.983
local terms energy: -145.471254
where:
bonds (distance) C4'-P energy: -36.881
bonds (distance) P-C4' energy: -39.886
flat angles C4'-P-C4' energy: -24.303
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -26.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -209.915685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.915685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.915685 (E_RNA)
where:
Base-Base interactions energy: -82.509
where: short stacking energy: -61.894
Base-Backbone interact. energy: 0.955
local terms energy: -128.361859
where:
bonds (distance) C4'-P energy: -43.223
bonds (distance) P-C4' energy: -37.184
flat angles C4'-P-C4' energy: -30.438
flat angles P-C4'-P energy: -27.636
tors. eta vs tors. theta energy: 10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -847.471910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.471910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.471910 (E_RNA)
where:
Base-Base interactions energy: -590.319
where: short stacking energy: -256.292
Base-Backbone interact. energy: -1.943
local terms energy: -255.210154
where:
bonds (distance) C4'-P energy: -43.683
bonds (distance) P-C4' energy: -44.056
flat angles C4'-P-C4' energy: -53.175
flat angles P-C4'-P energy: -38.219
tors. eta vs tors. theta energy: -76.078
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: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -782.749673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.749673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.749673 (E_RNA)
where:
Base-Base interactions energy: -541.827
where: short stacking energy: -222.908
Base-Backbone interact. energy: 3.184
local terms energy: -244.106796
where:
bonds (distance) C4'-P energy: -46.865
bonds (distance) P-C4' energy: -38.946
flat angles C4'-P-C4' energy: -55.213
flat angles P-C4'-P energy: -41.130
tors. eta vs tors. theta energy: -61.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -764.137197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.137197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.137197 (E_RNA)
where:
Base-Base interactions energy: -518.968
where: short stacking energy: -226.250
Base-Backbone interact. energy: -0.932
local terms energy: -244.236638
where:
bonds (distance) C4'-P energy: -46.425
bonds (distance) P-C4' energy: -47.205
flat angles C4'-P-C4' energy: -53.507
flat angles P-C4'-P energy: -32.255
tors. eta vs tors. theta energy: -64.846
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: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -729.789080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.789080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.789080 (E_RNA)
where:
Base-Base interactions energy: -499.653
where: short stacking energy: -223.610
Base-Backbone interact. energy: -0.853
local terms energy: -229.282993
where:
bonds (distance) C4'-P energy: -39.282
bonds (distance) P-C4' energy: -41.690
flat angles C4'-P-C4' energy: -52.866
flat angles P-C4'-P energy: -35.488
tors. eta vs tors. theta energy: -59.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -712.649753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.649753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.649753 (E_RNA)
where:
Base-Base interactions energy: -513.815
where: short stacking energy: -202.422
Base-Backbone interact. energy: -1.533
local terms energy: -197.301042
where:
bonds (distance) C4'-P energy: -36.814
bonds (distance) P-C4' energy: -36.013
flat angles C4'-P-C4' energy: -48.405
flat angles P-C4'-P energy: -29.398
tors. eta vs tors. theta energy: -46.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -673.124956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.124956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.124956 (E_RNA)
where:
Base-Base interactions energy: -465.167
where: short stacking energy: -182.680
Base-Backbone interact. energy: -0.955
local terms energy: -207.003164
where:
bonds (distance) C4'-P energy: -38.090
bonds (distance) P-C4' energy: -30.845
flat angles C4'-P-C4' energy: -49.417
flat angles P-C4'-P energy: -33.823
tors. eta vs tors. theta energy: -54.828
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: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -630.477952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.477952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.477952 (E_RNA)
where:
Base-Base interactions energy: -435.261
where: short stacking energy: -184.093
Base-Backbone interact. energy: 0.427
local terms energy: -195.643919
where:
bonds (distance) C4'-P energy: -41.250
bonds (distance) P-C4' energy: -33.909
flat angles C4'-P-C4' energy: -52.984
flat angles P-C4'-P energy: -24.661
tors. eta vs tors. theta energy: -42.839
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: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -594.104181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.104181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.104181 (E_RNA)
where:
Base-Base interactions energy: -410.855
where: short stacking energy: -184.190
Base-Backbone interact. energy: -0.494
local terms energy: -182.755436
where:
bonds (distance) C4'-P energy: -37.023
bonds (distance) P-C4' energy: -39.346
flat angles C4'-P-C4' energy: -41.328
flat angles P-C4'-P energy: -26.462
tors. eta vs tors. theta energy: -38.596
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: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -346.140477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.140477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.140477 (E_RNA)
where:
Base-Base interactions energy: -200.188
where: short stacking energy: -100.302
Base-Backbone interact. energy: -0.321
local terms energy: -145.630764
where:
bonds (distance) C4'-P energy: -30.041
bonds (distance) P-C4' energy: -43.010
flat angles C4'-P-C4' energy: -39.300
flat angles P-C4'-P energy: -19.500
tors. eta vs tors. theta energy: -13.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -213.123486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.123486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.123486 (E_RNA)
where:
Base-Base interactions energy: -78.123
where: short stacking energy: -75.121
Base-Backbone interact. energy: -0.498
local terms energy: -134.501950
where:
bonds (distance) C4'-P energy: -37.115
bonds (distance) P-C4' energy: -46.071
flat angles C4'-P-C4' energy: -34.236
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: 0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -849.365288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.365288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.365288 (E_RNA)
where:
Base-Base interactions energy: -595.079
where: short stacking energy: -250.286
Base-Backbone interact. energy: -0.432
local terms energy: -253.853643
where:
bonds (distance) C4'-P energy: -40.833
bonds (distance) P-C4' energy: -48.943
flat angles C4'-P-C4' energy: -47.718
flat angles P-C4'-P energy: -36.798
tors. eta vs tors. theta energy: -79.561
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: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -791.853247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.853247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.853247 (E_RNA)
where:
Base-Base interactions energy: -551.411
where: short stacking energy: -247.753
Base-Backbone interact. energy: -0.544
local terms energy: -239.898440
where:
bonds (distance) C4'-P energy: -40.868
bonds (distance) P-C4' energy: -44.618
flat angles C4'-P-C4' energy: -51.574
flat angles P-C4'-P energy: -31.611
tors. eta vs tors. theta energy: -71.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -775.202055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.202055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.202055 (E_RNA)
where:
Base-Base interactions energy: -539.412
where: short stacking energy: -234.831
Base-Backbone interact. energy: -0.792
local terms energy: -234.998272
where:
bonds (distance) C4'-P energy: -39.374
bonds (distance) P-C4' energy: -46.251
flat angles C4'-P-C4' energy: -51.983
flat angles P-C4'-P energy: -39.186
tors. eta vs tors. theta energy: -58.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -766.219711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.219711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.219711 (E_RNA)
where:
Base-Base interactions energy: -550.892
where: short stacking energy: -220.639
Base-Backbone interact. energy: 0.203
local terms energy: -215.531031
where:
bonds (distance) C4'-P energy: -40.567
bonds (distance) P-C4' energy: -40.391
flat angles C4'-P-C4' energy: -44.115
flat angles P-C4'-P energy: -30.877
tors. eta vs tors. theta energy: -59.581
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: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -689.568730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.568730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.568730 (E_RNA)
where:
Base-Base interactions energy: -461.741
where: short stacking energy: -210.321
Base-Backbone interact. energy: -0.330
local terms energy: -227.498191
where:
bonds (distance) C4'-P energy: -42.704
bonds (distance) P-C4' energy: -39.475
flat angles C4'-P-C4' energy: -49.447
flat angles P-C4'-P energy: -32.557
tors. eta vs tors. theta energy: -63.315
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: 175
Temperature: 1.150000
Total energy: -681.509759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.509759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.509759 (E_RNA)
where:
Base-Base interactions energy: -461.773
where: short stacking energy: -192.474
Base-Backbone interact. energy: -1.160
local terms energy: -218.577104
where:
bonds (distance) C4'-P energy: -42.293
bonds (distance) P-C4' energy: -42.014
flat angles C4'-P-C4' energy: -50.971
flat angles P-C4'-P energy: -29.562
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: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -643.406202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.406202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.406202 (E_RNA)
where:
Base-Base interactions energy: -451.239
where: short stacking energy: -192.885
Base-Backbone interact. energy: -0.923
local terms energy: -191.244066
where:
bonds (distance) C4'-P energy: -35.793
bonds (distance) P-C4' energy: -41.038
flat angles C4'-P-C4' energy: -37.293
flat angles P-C4'-P energy: -31.988
tors. eta vs tors. theta energy: -45.133
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: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -615.670977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.670977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.670977 (E_RNA)
where:
Base-Base interactions energy: -419.585
where: short stacking energy: -197.288
Base-Backbone interact. energy: -0.359
local terms energy: -195.726211
where:
bonds (distance) C4'-P energy: -32.702
bonds (distance) P-C4' energy: -41.170
flat angles C4'-P-C4' energy: -50.198
flat angles P-C4'-P energy: -25.733
tors. eta vs tors. theta energy: -45.924
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: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -322.471670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.471670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.471670 (E_RNA)
where:
Base-Base interactions energy: -185.386
where: short stacking energy: -102.425
Base-Backbone interact. energy: -0.300
local terms energy: -136.785868
where:
bonds (distance) C4'-P energy: -32.832
bonds (distance) P-C4' energy: -43.353
flat angles C4'-P-C4' energy: -31.191
flat angles P-C4'-P energy: -19.433
tors. eta vs tors. theta energy: -9.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -194.835157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.835157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.835157 (E_RNA)
where:
Base-Base interactions energy: -58.185
where: short stacking energy: -41.645
Base-Backbone interact. energy: -1.557
local terms energy: -135.093275
where:
bonds (distance) C4'-P energy: -39.935
bonds (distance) P-C4' energy: -48.684
flat angles C4'-P-C4' energy: -32.412
flat angles P-C4'-P energy: -23.823
tors. eta vs tors. theta energy: 9.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -819.414931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.414931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.414931 (E_RNA)
where:
Base-Base interactions energy: -573.413
where: short stacking energy: -260.055
Base-Backbone interact. energy: -0.400
local terms energy: -245.602060
where:
bonds (distance) C4'-P energy: -49.226
bonds (distance) P-C4' energy: -45.636
flat angles C4'-P-C4' energy: -50.164
flat angles P-C4'-P energy: -29.374
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: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -831.273538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.273538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.273538 (E_RNA)
where:
Base-Base interactions energy: -571.975
where: short stacking energy: -264.984
Base-Backbone interact. energy: -0.366
local terms energy: -258.932901
where:
bonds (distance) C4'-P energy: -47.358
bonds (distance) P-C4' energy: -42.674
flat angles C4'-P-C4' energy: -53.203
flat angles P-C4'-P energy: -37.164
tors. eta vs tors. theta energy: -78.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -771.658551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.658551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.658551 (E_RNA)
where:
Base-Base interactions energy: -546.674
where: short stacking energy: -233.283
Base-Backbone interact. energy: 0.392
local terms energy: -225.377126
where:
bonds (distance) C4'-P energy: -34.162
bonds (distance) P-C4' energy: -46.170
flat angles C4'-P-C4' energy: -49.476
flat angles P-C4'-P energy: -38.220
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: 4, replica: 8
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -766.033568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.033568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.033568 (E_RNA)
where:
Base-Base interactions energy: -547.854
where: short stacking energy: -211.812
Base-Backbone interact. energy: 2.281
local terms energy: -220.460308
where:
bonds (distance) C4'-P energy: -44.214
bonds (distance) P-C4' energy: -40.103
flat angles C4'-P-C4' energy: -50.829
flat angles P-C4'-P energy: -26.376
tors. eta vs tors. theta energy: -58.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -683.765321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.765321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.765321 (E_RNA)
where:
Base-Base interactions energy: -465.826
where: short stacking energy: -203.899
Base-Backbone interact. energy: -0.930
local terms energy: -217.009344
where:
bonds (distance) C4'-P energy: -46.295
bonds (distance) P-C4' energy: -39.328
flat angles C4'-P-C4' energy: -39.827
flat angles P-C4'-P energy: -30.455
tors. eta vs tors. theta energy: -61.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -656.384066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.384066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.384066 (E_RNA)
where:
Base-Base interactions energy: -443.434
where: short stacking energy: -188.006
Base-Backbone interact. energy: -0.212
local terms energy: -212.737402
where:
bonds (distance) C4'-P energy: -40.222
bonds (distance) P-C4' energy: -43.998
flat angles C4'-P-C4' energy: -44.069
flat angles P-C4'-P energy: -27.522
tors. eta vs tors. theta energy: -56.926
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: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -614.932312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.932312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.932312 (E_RNA)
where:
Base-Base interactions energy: -420.434
where: short stacking energy: -176.642
Base-Backbone interact. energy: 2.265
local terms energy: -196.762862
where:
bonds (distance) C4'-P energy: -37.480
bonds (distance) P-C4' energy: -41.801
flat angles C4'-P-C4' energy: -47.041
flat angles P-C4'-P energy: -26.238
tors. eta vs tors. theta energy: -44.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -581.955350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.955350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.955350 (E_RNA)
where:
Base-Base interactions energy: -411.731
where: short stacking energy: -171.587
Base-Backbone interact. energy: 0.788
local terms energy: -171.011904
where:
bonds (distance) C4'-P energy: -31.351
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -45.485
flat angles P-C4'-P energy: -26.664
tors. eta vs tors. theta energy: -44.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -317.266707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.266707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.266707 (E_RNA)
where:
Base-Base interactions energy: -163.732
where: short stacking energy: -89.688
Base-Backbone interact. energy: -0.620
local terms energy: -152.914664
where:
bonds (distance) C4'-P energy: -47.986
bonds (distance) P-C4' energy: -40.252
flat angles C4'-P-C4' energy: -40.243
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -9.643
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: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -195.107108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.107108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.107108 (E_RNA)
where:
Base-Base interactions energy: -66.367
where: short stacking energy: -64.462
Base-Backbone interact. energy: -1.239
local terms energy: -127.500813
where:
bonds (distance) C4'-P energy: -33.865
bonds (distance) P-C4' energy: -38.837
flat angles C4'-P-C4' energy: -31.116
flat angles P-C4'-P energy: -20.709
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: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -811.647325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.647325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.647325 (E_RNA)
where:
Base-Base interactions energy: -563.300
where: short stacking energy: -242.962
Base-Backbone interact. energy: -0.261
local terms energy: -248.086906
where:
bonds (distance) C4'-P energy: -45.219
bonds (distance) P-C4' energy: -45.561
flat angles C4'-P-C4' energy: -47.797
flat angles P-C4'-P energy: -36.189
tors. eta vs tors. theta energy: -73.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -832.113553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.113553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.113553 (E_RNA)
where:
Base-Base interactions energy: -566.914
where: short stacking energy: -248.851
Base-Backbone interact. energy: -0.474
local terms energy: -264.725212
where:
bonds (distance) C4'-P energy: -39.621
bonds (distance) P-C4' energy: -51.420
flat angles C4'-P-C4' energy: -53.202
flat angles P-C4'-P energy: -45.464
tors. eta vs tors. theta energy: -75.018
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: 7
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -762.357852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.357852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.357852 (E_RNA)
where:
Base-Base interactions energy: -538.055
where: short stacking energy: -212.487
Base-Backbone interact. energy: -2.089
local terms energy: -222.213612
where:
bonds (distance) C4'-P energy: -40.788
bonds (distance) P-C4' energy: -40.970
flat angles C4'-P-C4' energy: -47.275
flat angles P-C4'-P energy: -34.168
tors. eta vs tors. theta energy: -59.014
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: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -794.720754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.720754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.720754 (E_RNA)
where:
Base-Base interactions energy: -553.440
where: short stacking energy: -226.013
Base-Backbone interact. energy: -1.061
local terms energy: -240.219884
where:
bonds (distance) C4'-P energy: -46.100
bonds (distance) P-C4' energy: -49.623
flat angles C4'-P-C4' energy: -48.421
flat angles P-C4'-P energy: -29.275
tors. eta vs tors. theta energy: -66.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -717.174432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.174432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.174432 (E_RNA)
where:
Base-Base interactions energy: -493.811
where: short stacking energy: -200.240
Base-Backbone interact. energy: 0.303
local terms energy: -223.666298
where:
bonds (distance) C4'-P energy: -44.897
bonds (distance) P-C4' energy: -47.654
flat angles C4'-P-C4' energy: -49.577
flat angles P-C4'-P energy: -22.323
tors. eta vs tors. theta energy: -59.216
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: 177
Temperature: 1.150000
Total energy: -659.894793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.894793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.894793 (E_RNA)
where:
Base-Base interactions energy: -447.592
where: short stacking energy: -205.770
Base-Backbone interact. energy: -0.163
local terms energy: -212.139737
where:
bonds (distance) C4'-P energy: -37.130
bonds (distance) P-C4' energy: -40.764
flat angles C4'-P-C4' energy: -51.185
flat angles P-C4'-P energy: -29.089
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: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -634.305647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.305647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.305647 (E_RNA)
where:
Base-Base interactions energy: -423.047
where: short stacking energy: -200.019
Base-Backbone interact. energy: -2.536
local terms energy: -208.722518
where:
bonds (distance) C4'-P energy: -41.830
bonds (distance) P-C4' energy: -47.496
flat angles C4'-P-C4' energy: -44.829
flat angles P-C4'-P energy: -20.853
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: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -534.624194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.624194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.624194 (E_RNA)
where:
Base-Base interactions energy: -357.106
where: short stacking energy: -142.935
Base-Backbone interact. energy: -0.366
local terms energy: -177.152120
where:
bonds (distance) C4'-P energy: -32.562
bonds (distance) P-C4' energy: -42.575
flat angles C4'-P-C4' energy: -48.911
flat angles P-C4'-P energy: -22.198
tors. eta vs tors. theta energy: -30.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -324.908354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.908354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.908354 (E_RNA)
where:
Base-Base interactions energy: -168.859
where: short stacking energy: -91.387
Base-Backbone interact. energy: 2.567
local terms energy: -158.617083
where:
bonds (distance) C4'-P energy: -43.418
bonds (distance) P-C4' energy: -45.698
flat angles C4'-P-C4' energy: -39.650
flat angles P-C4'-P energy: -20.445
tors. eta vs tors. theta energy: -9.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -222.218230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.218230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.218230 (E_RNA)
where:
Base-Base interactions energy: -99.156
where: short stacking energy: -67.211
Base-Backbone interact. energy: -0.767
local terms energy: -122.295157
where:
bonds (distance) C4'-P energy: -33.886
bonds (distance) P-C4' energy: -37.045
flat angles C4'-P-C4' energy: -35.529
flat angles P-C4'-P energy: -19.151
tors. eta vs tors. theta energy: 3.315
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: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -862.237695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.237695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.237695 (E_RNA)
where:
Base-Base interactions energy: -597.625
where: short stacking energy: -263.703
Base-Backbone interact. energy: 4.796
local terms energy: -269.408832
where:
bonds (distance) C4'-P energy: -43.281
bonds (distance) P-C4' energy: -52.495
flat angles C4'-P-C4' energy: -58.141
flat angles P-C4'-P energy: -38.495
tors. eta vs tors. theta energy: -76.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -806.562631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.562631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.562631 (E_RNA)
where:
Base-Base interactions energy: -555.891
where: short stacking energy: -251.860
Base-Backbone interact. energy: -0.368
local terms energy: -250.303467
where:
bonds (distance) C4'-P energy: -44.770
bonds (distance) P-C4' energy: -47.504
flat angles C4'-P-C4' energy: -53.695
flat angles P-C4'-P energy: -35.222
tors. eta vs tors. theta energy: -69.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -795.304716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.304716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.304716 (E_RNA)
where:
Base-Base interactions energy: -555.069
where: short stacking energy: -219.930
Base-Backbone interact. energy: -0.750
local terms energy: -239.485424
where:
bonds (distance) C4'-P energy: -35.815
bonds (distance) P-C4' energy: -50.835
flat angles C4'-P-C4' energy: -51.614
flat angles P-C4'-P energy: -36.828
tors. eta vs tors. theta energy: -64.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -741.020078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.020078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.020078 (E_RNA)
where:
Base-Base interactions energy: -522.528
where: short stacking energy: -213.997
Base-Backbone interact. energy: -0.403
local terms energy: -218.088823
where:
bonds (distance) C4'-P energy: -46.306
bonds (distance) P-C4' energy: -52.271
flat angles C4'-P-C4' energy: -42.926
flat angles P-C4'-P energy: -27.071
tors. eta vs tors. theta energy: -49.514
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: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -683.482478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.482478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.482478 (E_RNA)
where:
Base-Base interactions energy: -469.702
where: short stacking energy: -204.179
Base-Backbone interact. energy: -0.633
local terms energy: -213.147045
where:
bonds (distance) C4'-P energy: -41.141
bonds (distance) P-C4' energy: -39.596
flat angles C4'-P-C4' energy: -42.724
flat angles P-C4'-P energy: -35.256
tors. eta vs tors. theta energy: -54.431
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: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -669.145565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.145565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.145565 (E_RNA)
where:
Base-Base interactions energy: -475.200
where: short stacking energy: -194.615
Base-Backbone interact. energy: 0.242
local terms energy: -194.188168
where:
bonds (distance) C4'-P energy: -27.125
bonds (distance) P-C4' energy: -45.564
flat angles C4'-P-C4' energy: -46.212
flat angles P-C4'-P energy: -30.427
tors. eta vs tors. theta energy: -44.861
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: 178
Temperature: 1.200000
Total energy: -651.040337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.040337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.040337 (E_RNA)
where:
Base-Base interactions energy: -438.981
where: short stacking energy: -216.047
Base-Backbone interact. energy: -0.572
local terms energy: -211.487094
where:
bonds (distance) C4'-P energy: -35.803
bonds (distance) P-C4' energy: -48.525
flat angles C4'-P-C4' energy: -37.929
flat angles P-C4'-P energy: -31.901
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: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -533.425588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.425588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.425588 (E_RNA)
where:
Base-Base interactions energy: -343.919
where: short stacking energy: -153.033
Base-Backbone interact. energy: -0.419
local terms energy: -189.087485
where:
bonds (distance) C4'-P energy: -37.842
bonds (distance) P-C4' energy: -43.781
flat angles C4'-P-C4' energy: -44.046
flat angles P-C4'-P energy: -33.951
tors. eta vs tors. theta energy: -29.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -334.426494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.426494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.426494 (E_RNA)
where:
Base-Base interactions energy: -179.838
where: short stacking energy: -102.517
Base-Backbone interact. energy: 1.887
local terms energy: -156.475798
where:
bonds (distance) C4'-P energy: -36.944
bonds (distance) P-C4' energy: -42.377
flat angles C4'-P-C4' energy: -35.233
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: -22.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -210.614983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.614983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.614983 (E_RNA)
where:
Base-Base interactions energy: -72.965
where: short stacking energy: -67.682
Base-Backbone interact. energy: -0.106
local terms energy: -137.543385
where:
bonds (distance) C4'-P energy: -40.163
bonds (distance) P-C4' energy: -43.483
flat angles C4'-P-C4' energy: -40.517
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -860.486282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.486282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.486282 (E_RNA)
where:
Base-Base interactions energy: -604.113
where: short stacking energy: -257.326
Base-Backbone interact. energy: -0.334
local terms energy: -256.039433
where:
bonds (distance) C4'-P energy: -41.912
bonds (distance) P-C4' energy: -46.241
flat angles C4'-P-C4' energy: -52.259
flat angles P-C4'-P energy: -36.986
tors. eta vs tors. theta energy: -78.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -816.895004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.895004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.895004 (E_RNA)
where:
Base-Base interactions energy: -578.016
where: short stacking energy: -226.368
Base-Backbone interact. energy: 0.928
local terms energy: -239.806125
where:
bonds (distance) C4'-P energy: -45.570
bonds (distance) P-C4' energy: -43.605
flat angles C4'-P-C4' energy: -47.956
flat angles P-C4'-P energy: -40.737
tors. eta vs tors. theta energy: -61.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -799.905394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.905394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.905394 (E_RNA)
where:
Base-Base interactions energy: -560.476
where: short stacking energy: -228.753
Base-Backbone interact. energy: -0.916
local terms energy: -238.513244
where:
bonds (distance) C4'-P energy: -45.689
bonds (distance) P-C4' energy: -39.483
flat angles C4'-P-C4' energy: -51.606
flat angles P-C4'-P energy: -40.196
tors. eta vs tors. theta energy: -61.540
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: 179
Temperature: 1.050000
Total energy: -692.570509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.570509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.570509 (E_RNA)
where:
Base-Base interactions energy: -482.682
where: short stacking energy: -208.618
Base-Backbone interact. energy: -0.561
local terms energy: -209.328197
where:
bonds (distance) C4'-P energy: -32.244
bonds (distance) P-C4' energy: -45.563
flat angles C4'-P-C4' energy: -46.077
flat angles P-C4'-P energy: -34.111
tors. eta vs tors. theta energy: -51.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -746.085995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.085995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.085995 (E_RNA)
where:
Base-Base interactions energy: -520.067
where: short stacking energy: -215.219
Base-Backbone interact. energy: -3.859
local terms energy: -222.160304
where:
bonds (distance) C4'-P energy: -42.840
bonds (distance) P-C4' energy: -46.480
flat angles C4'-P-C4' energy: -50.019
flat angles P-C4'-P energy: -24.600
tors. eta vs tors. theta energy: -58.222
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: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -655.798862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.798862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.798862 (E_RNA)
where:
Base-Base interactions energy: -428.931
where: short stacking energy: -197.380
Base-Backbone interact. energy: 0.299
local terms energy: -227.166807
where:
bonds (distance) C4'-P energy: -38.710
bonds (distance) P-C4' energy: -47.948
flat angles C4'-P-C4' energy: -44.365
flat angles P-C4'-P energy: -33.818
tors. eta vs tors. theta energy: -62.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -636.937762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.937762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.937762 (E_RNA)
where:
Base-Base interactions energy: -437.687
where: short stacking energy: -184.301
Base-Backbone interact. energy: 1.812
local terms energy: -201.062958
where:
bonds (distance) C4'-P energy: -44.759
bonds (distance) P-C4' energy: -37.088
flat angles C4'-P-C4' energy: -45.572
flat angles P-C4'-P energy: -24.471
tors. eta vs tors. theta energy: -49.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -496.839871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.839871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.839871 (E_RNA)
where:
Base-Base interactions energy: -332.234
where: short stacking energy: -137.709
Base-Backbone interact. energy: -0.420
local terms energy: -164.186151
where:
bonds (distance) C4'-P energy: -39.254
bonds (distance) P-C4' energy: -39.325
flat angles C4'-P-C4' energy: -32.446
flat angles P-C4'-P energy: -23.712
tors. eta vs tors. theta energy: -29.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -318.521084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.521084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.521084 (E_RNA)
where:
Base-Base interactions energy: -158.134
where: short stacking energy: -83.506
Base-Backbone interact. energy: 0.882
local terms energy: -161.269556
where:
bonds (distance) C4'-P energy: -38.992
bonds (distance) P-C4' energy: -52.165
flat angles C4'-P-C4' energy: -39.044
flat angles P-C4'-P energy: -28.054
tors. eta vs tors. theta energy: -3.015
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: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -209.530048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.530048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.530048 (E_RNA)
where:
Base-Base interactions energy: -74.294
where: short stacking energy: -67.961
Base-Backbone interact. energy: -0.949
local terms energy: -134.286315
where:
bonds (distance) C4'-P energy: -37.309
bonds (distance) P-C4' energy: -42.550
flat angles C4'-P-C4' energy: -27.403
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: -5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -857.023588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.023588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.023588 (E_RNA)
where:
Base-Base interactions energy: -588.569
where: short stacking energy: -253.979
Base-Backbone interact. energy: -0.117
local terms energy: -268.336648
where:
bonds (distance) C4'-P energy: -44.333
bonds (distance) P-C4' energy: -45.516
flat angles C4'-P-C4' energy: -55.192
flat angles P-C4'-P energy: -41.816
tors. eta vs tors. theta energy: -81.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -803.230498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.230498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.230498 (E_RNA)
where:
Base-Base interactions energy: -563.271
where: short stacking energy: -233.806
Base-Backbone interact. energy: -1.387
local terms energy: -238.571547
where:
bonds (distance) C4'-P energy: -42.914
bonds (distance) P-C4' energy: -41.929
flat angles C4'-P-C4' energy: -52.872
flat angles P-C4'-P energy: -34.209
tors. eta vs tors. theta energy: -66.647
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: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -807.847280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.847280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.847280 (E_RNA)
where:
Base-Base interactions energy: -568.508
where: short stacking energy: -225.414
Base-Backbone interact. energy: -1.013
local terms energy: -238.325679
where:
bonds (distance) C4'-P energy: -48.088
bonds (distance) P-C4' energy: -41.265
flat angles C4'-P-C4' energy: -54.764
flat angles P-C4'-P energy: -34.182
tors. eta vs tors. theta energy: -60.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -687.460533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.460533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.460533 (E_RNA)
where:
Base-Base interactions energy: -480.451
where: short stacking energy: -202.655
Base-Backbone interact. energy: -2.899
local terms energy: -204.109935
where:
bonds (distance) C4'-P energy: -31.437
bonds (distance) P-C4' energy: -47.600
flat angles C4'-P-C4' energy: -43.265
flat angles P-C4'-P energy: -32.464
tors. eta vs tors. theta energy: -49.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -728.224425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.224425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.224425 (E_RNA)
where:
Base-Base interactions energy: -518.300
where: short stacking energy: -213.331
Base-Backbone interact. energy: -1.179
local terms energy: -208.745999
where:
bonds (distance) C4'-P energy: -36.885
bonds (distance) P-C4' energy: -35.923
flat angles C4'-P-C4' energy: -50.739
flat angles P-C4'-P energy: -31.708
tors. eta vs tors. theta energy: -53.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -665.624120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.624120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.624120 (E_RNA)
where:
Base-Base interactions energy: -450.160
where: short stacking energy: -203.417
Base-Backbone interact. energy: -0.536
local terms energy: -214.928495
where:
bonds (distance) C4'-P energy: -40.270
bonds (distance) P-C4' energy: -40.085
flat angles C4'-P-C4' energy: -39.864
flat angles P-C4'-P energy: -32.317
tors. eta vs tors. theta energy: -62.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -643.201524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.201524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.201524 (E_RNA)
where:
Base-Base interactions energy: -431.785
where: short stacking energy: -201.043
Base-Backbone interact. energy: 0.010
local terms energy: -211.426399
where:
bonds (distance) C4'-P energy: -38.173
bonds (distance) P-C4' energy: -42.230
flat angles C4'-P-C4' energy: -49.851
flat angles P-C4'-P energy: -22.840
tors. eta vs tors. theta energy: -58.332
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: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -494.580243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.580243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.580243 (E_RNA)
where:
Base-Base interactions energy: -317.565
where: short stacking energy: -157.861
Base-Backbone interact. energy: -0.537
local terms energy: -176.478032
where:
bonds (distance) C4'-P energy: -30.149
bonds (distance) P-C4' energy: -43.883
flat angles C4'-P-C4' energy: -39.790
flat angles P-C4'-P energy: -30.779
tors. eta vs tors. theta energy: -31.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -326.302646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.302646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.302646 (E_RNA)
where:
Base-Base interactions energy: -171.293
where: short stacking energy: -94.122
Base-Backbone interact. energy: 0.025
local terms energy: -155.033721
where:
bonds (distance) C4'-P energy: -41.646
bonds (distance) P-C4' energy: -41.272
flat angles C4'-P-C4' energy: -42.716
flat angles P-C4'-P energy: -23.666
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -212.537373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.537373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.537373 (E_RNA)
where:
Base-Base interactions energy: -72.143
where: short stacking energy: -71.751
Base-Backbone interact. energy: -0.941
local terms energy: -139.452907
where:
bonds (distance) C4'-P energy: -41.403
bonds (distance) P-C4' energy: -36.523
flat angles C4'-P-C4' energy: -37.602
flat angles P-C4'-P energy: -25.975
tors. eta vs tors. theta energy: 2.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -843.880230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.880230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.880230 (E_RNA)
where:
Base-Base interactions energy: -589.959
where: short stacking energy: -251.094
Base-Backbone interact. energy: -0.128
local terms energy: -253.792902
where:
bonds (distance) C4'-P energy: -43.556
bonds (distance) P-C4' energy: -48.204
flat angles C4'-P-C4' energy: -48.267
flat angles P-C4'-P energy: -40.584
tors. eta vs tors. theta energy: -73.182
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: 8
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -830.244126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.244126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.244126 (E_RNA)
where:
Base-Base interactions energy: -593.380
where: short stacking energy: -252.581
Base-Backbone interact. energy: 0.223
local terms energy: -237.086440
where:
bonds (distance) C4'-P energy: -36.746
bonds (distance) P-C4' energy: -42.423
flat angles C4'-P-C4' energy: -56.344
flat angles P-C4'-P energy: -34.537
tors. eta vs tors. theta energy: -67.036
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: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -782.537038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.537038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.537038 (E_RNA)
where:
Base-Base interactions energy: -541.531
where: short stacking energy: -240.693
Base-Backbone interact. energy: -0.332
local terms energy: -240.673806
where:
bonds (distance) C4'-P energy: -45.985
bonds (distance) P-C4' energy: -44.993
flat angles C4'-P-C4' energy: -49.207
flat angles P-C4'-P energy: -30.115
tors. eta vs tors. theta energy: -70.375
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: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -766.252806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.252806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.252806 (E_RNA)
where:
Base-Base interactions energy: -532.588
where: short stacking energy: -224.838
Base-Backbone interact. energy: -0.296
local terms energy: -233.368626
where:
bonds (distance) C4'-P energy: -39.275
bonds (distance) P-C4' energy: -49.433
flat angles C4'-P-C4' energy: -53.119
flat angles P-C4'-P energy: -30.854
tors. eta vs tors. theta energy: -60.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -657.653291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.653291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.653291 (E_RNA)
where:
Base-Base interactions energy: -434.905
where: short stacking energy: -213.260
Base-Backbone interact. energy: -0.568
local terms energy: -222.180363
where:
bonds (distance) C4'-P energy: -38.809
bonds (distance) P-C4' energy: -42.116
flat angles C4'-P-C4' energy: -54.359
flat angles P-C4'-P energy: -34.486
tors. eta vs tors. theta energy: -52.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -682.053921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.053921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.053921 (E_RNA)
where:
Base-Base interactions energy: -452.900
where: short stacking energy: -194.839
Base-Backbone interact. energy: -0.079
local terms energy: -229.074978
where:
bonds (distance) C4'-P energy: -43.992
bonds (distance) P-C4' energy: -42.804
flat angles C4'-P-C4' energy: -46.237
flat angles P-C4'-P energy: -38.271
tors. eta vs tors. theta energy: -57.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -640.537012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.537012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.537012 (E_RNA)
where:
Base-Base interactions energy: -442.780
where: short stacking energy: -194.121
Base-Backbone interact. energy: -1.113
local terms energy: -196.643351
where:
bonds (distance) C4'-P energy: -29.691
bonds (distance) P-C4' energy: -38.529
flat angles C4'-P-C4' energy: -46.514
flat angles P-C4'-P energy: -26.907
tors. eta vs tors. theta energy: -55.002
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: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -526.248874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.248874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.248874 (E_RNA)
where:
Base-Base interactions energy: -353.304
where: short stacking energy: -143.975
Base-Backbone interact. energy: -0.675
local terms energy: -172.270182
where:
bonds (distance) C4'-P energy: -44.640
bonds (distance) P-C4' energy: -46.397
flat angles C4'-P-C4' energy: -40.472
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -21.940
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: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -288.920869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.920869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.920869 (E_RNA)
where:
Base-Base interactions energy: -139.389
where: short stacking energy: -77.312
Base-Backbone interact. energy: -1.508
local terms energy: -148.023573
where:
bonds (distance) C4'-P energy: -38.808
bonds (distance) P-C4' energy: -40.634
flat angles C4'-P-C4' energy: -47.113
flat angles P-C4'-P energy: -21.032
tors. eta vs tors. theta energy: -0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -245.206891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.206891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.206891 (E_RNA)
where:
Base-Base interactions energy: -123.926
where: short stacking energy: -67.487
Base-Backbone interact. energy: -1.507
local terms energy: -119.774129
where:
bonds (distance) C4'-P energy: -37.558
bonds (distance) P-C4' energy: -37.249
flat angles C4'-P-C4' energy: -25.455
flat angles P-C4'-P energy: -17.622
tors. eta vs tors. theta energy: -1.891
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: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -859.167610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.167610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.167610 (E_RNA)
where:
Base-Base interactions energy: -603.231
where: short stacking energy: -252.481
Base-Backbone interact. energy: -1.082
local terms energy: -254.854697
where:
bonds (distance) C4'-P energy: -47.444
bonds (distance) P-C4' energy: -47.653
flat angles C4'-P-C4' energy: -48.731
flat angles P-C4'-P energy: -34.569
tors. eta vs tors. theta energy: -76.457
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: 8
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -817.242119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.242119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.242119 (E_RNA)
where:
Base-Base interactions energy: -589.286
where: short stacking energy: -236.044
Base-Backbone interact. energy: -0.417
local terms energy: -227.539027
where:
bonds (distance) C4'-P energy: -48.425
bonds (distance) P-C4' energy: -40.467
flat angles C4'-P-C4' energy: -51.696
flat angles P-C4'-P energy: -24.698
tors. eta vs tors. theta energy: -62.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -795.288064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.288064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.288064 (E_RNA)
where:
Base-Base interactions energy: -557.069
where: short stacking energy: -240.780
Base-Backbone interact. energy: -0.739
local terms energy: -237.479979
where:
bonds (distance) C4'-P energy: -42.303
bonds (distance) P-C4' energy: -36.461
flat angles C4'-P-C4' energy: -55.135
flat angles P-C4'-P energy: -31.779
tors. eta vs tors. theta energy: -71.802
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: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -768.055841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.055841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.055841 (E_RNA)
where:
Base-Base interactions energy: -557.017
where: short stacking energy: -224.424
Base-Backbone interact. energy: -1.539
local terms energy: -209.500578
where:
bonds (distance) C4'-P energy: -38.837
bonds (distance) P-C4' energy: -31.518
flat angles C4'-P-C4' energy: -53.340
flat angles P-C4'-P energy: -27.097
tors. eta vs tors. theta energy: -58.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -689.822383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.822383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.822383 (E_RNA)
where:
Base-Base interactions energy: -482.668
where: short stacking energy: -211.383
Base-Backbone interact. energy: -0.205
local terms energy: -206.949088
where:
bonds (distance) C4'-P energy: -30.671
bonds (distance) P-C4' energy: -49.551
flat angles C4'-P-C4' energy: -41.546
flat angles P-C4'-P energy: -22.313
tors. eta vs tors. theta energy: -62.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -663.258754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.258754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.258754 (E_RNA)
where:
Base-Base interactions energy: -462.541
where: short stacking energy: -193.668
Base-Backbone interact. energy: -1.392
local terms energy: -199.326104
where:
bonds (distance) C4'-P energy: -34.601
bonds (distance) P-C4' energy: -43.558
flat angles C4'-P-C4' energy: -44.895
flat angles P-C4'-P energy: -27.882
tors. eta vs tors. theta energy: -48.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -638.946718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.946718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.946718 (E_RNA)
where:
Base-Base interactions energy: -440.022
where: short stacking energy: -199.089
Base-Backbone interact. energy: -0.810
local terms energy: -198.114832
where:
bonds (distance) C4'-P energy: -34.991
bonds (distance) P-C4' energy: -38.214
flat angles C4'-P-C4' energy: -46.643
flat angles P-C4'-P energy: -30.519
tors. eta vs tors. theta energy: -47.748
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: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -558.819370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.819370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.819370 (E_RNA)
where:
Base-Base interactions energy: -369.996
where: short stacking energy: -152.219
Base-Backbone interact. energy: -2.066
local terms energy: -186.758155
where:
bonds (distance) C4'-P energy: -37.292
bonds (distance) P-C4' energy: -44.039
flat angles C4'-P-C4' energy: -42.214
flat angles P-C4'-P energy: -30.685
tors. eta vs tors. theta energy: -32.529
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: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -336.599741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.599741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.599741 (E_RNA)
where:
Base-Base interactions energy: -180.655
where: short stacking energy: -104.213
Base-Backbone interact. energy: 1.190
local terms energy: -157.134454
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -50.109
flat angles C4'-P-C4' energy: -39.533
flat angles P-C4'-P energy: -27.082
tors. eta vs tors. theta energy: -12.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -216.211433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.211433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.211433 (E_RNA)
where:
Base-Base interactions energy: -73.455
where: short stacking energy: -50.369
Base-Backbone interact. energy: 0.379
local terms energy: -143.135519
where:
bonds (distance) C4'-P energy: -46.776
bonds (distance) P-C4' energy: -38.653
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -27.694
tors. eta vs tors. theta energy: 1.800
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: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -864.979653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.979653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.979653 (E_RNA)
where:
Base-Base interactions energy: -606.532
where: short stacking energy: -273.783
Base-Backbone interact. energy: -2.114
local terms energy: -256.333219
where:
bonds (distance) C4'-P energy: -44.272
bonds (distance) P-C4' energy: -46.406
flat angles C4'-P-C4' energy: -50.380
flat angles P-C4'-P energy: -36.870
tors. eta vs tors. theta energy: -78.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -824.756861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.756861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.756861 (E_RNA)
where:
Base-Base interactions energy: -587.900
where: short stacking energy: -239.208
Base-Backbone interact. energy: -1.236
local terms energy: -235.621128
where:
bonds (distance) C4'-P energy: -39.014
bonds (distance) P-C4' energy: -41.943
flat angles C4'-P-C4' energy: -51.826
flat angles P-C4'-P energy: -34.354
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: 3, replica: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -789.236338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.236338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.236338 (E_RNA)
where:
Base-Base interactions energy: -561.709
where: short stacking energy: -220.771
Base-Backbone interact. energy: 0.152
local terms energy: -227.678805
where:
bonds (distance) C4'-P energy: -45.131
bonds (distance) P-C4' energy: -45.043
flat angles C4'-P-C4' energy: -52.354
flat angles P-C4'-P energy: -28.281
tors. eta vs tors. theta energy: -56.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -747.925035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.925035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.925035 (E_RNA)
where:
Base-Base interactions energy: -527.781
where: short stacking energy: -217.043
Base-Backbone interact. energy: -1.632
local terms energy: -218.511801
where:
bonds (distance) C4'-P energy: -42.834
bonds (distance) P-C4' energy: -35.874
flat angles C4'-P-C4' energy: -51.548
flat angles P-C4'-P energy: -26.824
tors. eta vs tors. theta energy: -61.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -698.979596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.979596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.979596 (E_RNA)
where:
Base-Base interactions energy: -485.955
where: short stacking energy: -221.960
Base-Backbone interact. energy: -0.541
local terms energy: -212.484025
where:
bonds (distance) C4'-P energy: -30.515
bonds (distance) P-C4' energy: -43.055
flat angles C4'-P-C4' energy: -53.089
flat angles P-C4'-P energy: -31.276
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: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -677.130702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.130702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.130702 (E_RNA)
where:
Base-Base interactions energy: -477.848
where: short stacking energy: -211.773
Base-Backbone interact. energy: -0.757
local terms energy: -198.526152
where:
bonds (distance) C4'-P energy: -40.965
bonds (distance) P-C4' energy: -33.629
flat angles C4'-P-C4' energy: -44.104
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: -56.215
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: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -615.034835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.034835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.034835 (E_RNA)
where:
Base-Base interactions energy: -409.377
where: short stacking energy: -180.984
Base-Backbone interact. energy: -0.449
local terms energy: -205.208608
where:
bonds (distance) C4'-P energy: -35.811
bonds (distance) P-C4' energy: -48.680
flat angles C4'-P-C4' energy: -42.070
flat angles P-C4'-P energy: -35.702
tors. eta vs tors. theta energy: -42.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -560.148726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.148726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.148726 (E_RNA)
where:
Base-Base interactions energy: -391.160
where: short stacking energy: -178.340
Base-Backbone interact. energy: -1.112
local terms energy: -167.877451
where:
bonds (distance) C4'-P energy: -30.136
bonds (distance) P-C4' energy: -37.988
flat angles C4'-P-C4' energy: -35.595
flat angles P-C4'-P energy: -19.656
tors. eta vs tors. theta energy: -44.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -372.803529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.803529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.803529 (E_RNA)
where:
Base-Base interactions energy: -230.966
where: short stacking energy: -124.936
Base-Backbone interact. energy: 0.845
local terms energy: -142.682334
where:
bonds (distance) C4'-P energy: -34.626
bonds (distance) P-C4' energy: -36.113
flat angles C4'-P-C4' energy: -34.045
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -232.347403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.347403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.347403 (E_RNA)
where:
Base-Base interactions energy: -101.922
where: short stacking energy: -77.719
Base-Backbone interact. energy: 2.010
local terms energy: -132.436117
where:
bonds (distance) C4'-P energy: -44.789
bonds (distance) P-C4' energy: -39.166
flat angles C4'-P-C4' energy: -32.414
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: 3.610
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: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -868.264004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.264004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.264004 (E_RNA)
where:
Base-Base interactions energy: -595.929
where: short stacking energy: -264.815
Base-Backbone interact. energy: -0.113
local terms energy: -272.221201
where:
bonds (distance) C4'-P energy: -44.872
bonds (distance) P-C4' energy: -48.215
flat angles C4'-P-C4' energy: -57.141
flat angles P-C4'-P energy: -41.906
tors. eta vs tors. theta energy: -80.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -839.667677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.667677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.667677 (E_RNA)
where:
Base-Base interactions energy: -597.186
where: short stacking energy: -241.447
Base-Backbone interact. energy: 0.140
local terms energy: -242.621260
where:
bonds (distance) C4'-P energy: -41.208
bonds (distance) P-C4' energy: -50.598
flat angles C4'-P-C4' energy: -48.677
flat angles P-C4'-P energy: -37.206
tors. eta vs tors. theta energy: -64.932
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: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -789.990876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.990876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.990876 (E_RNA)
where:
Base-Base interactions energy: -545.982
where: short stacking energy: -217.971
Base-Backbone interact. energy: -0.173
local terms energy: -243.835541
where:
bonds (distance) C4'-P energy: -41.862
bonds (distance) P-C4' energy: -48.741
flat angles C4'-P-C4' energy: -58.188
flat angles P-C4'-P energy: -36.540
tors. eta vs tors. theta energy: -58.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -746.759482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.759482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.759482 (E_RNA)
where:
Base-Base interactions energy: -518.016
where: short stacking energy: -224.271
Base-Backbone interact. energy: 1.407
local terms energy: -230.150403
where:
bonds (distance) C4'-P energy: -43.010
bonds (distance) P-C4' energy: -42.058
flat angles C4'-P-C4' energy: -50.765
flat angles P-C4'-P energy: -34.357
tors. eta vs tors. theta energy: -59.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -680.576290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.576290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.576290 (E_RNA)
where:
Base-Base interactions energy: -467.860
where: short stacking energy: -197.426
Base-Backbone interact. energy: -0.861
local terms energy: -211.855399
where:
bonds (distance) C4'-P energy: -42.270
bonds (distance) P-C4' energy: -33.678
flat angles C4'-P-C4' energy: -45.600
flat angles P-C4'-P energy: -31.188
tors. eta vs tors. theta energy: -59.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -652.179731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.179731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.179731 (E_RNA)
where:
Base-Base interactions energy: -458.522
where: short stacking energy: -185.096
Base-Backbone interact. energy: -0.801
local terms energy: -192.856080
where:
bonds (distance) C4'-P energy: -47.839
bonds (distance) P-C4' energy: -34.712
flat angles C4'-P-C4' energy: -33.862
flat angles P-C4'-P energy: -29.833
tors. eta vs tors. theta energy: -46.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -594.008754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.008754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.008754 (E_RNA)
where:
Base-Base interactions energy: -408.802
where: short stacking energy: -163.642
Base-Backbone interact. energy: -0.587
local terms energy: -184.619256
where:
bonds (distance) C4'-P energy: -38.506
bonds (distance) P-C4' energy: -43.533
flat angles C4'-P-C4' energy: -37.456
flat angles P-C4'-P energy: -27.802
tors. eta vs tors. theta energy: -37.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -582.204168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.204168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.204168 (E_RNA)
where:
Base-Base interactions energy: -402.535
where: short stacking energy: -185.237
Base-Backbone interact. energy: 1.114
local terms energy: -180.783978
where:
bonds (distance) C4'-P energy: -30.241
bonds (distance) P-C4' energy: -32.051
flat angles C4'-P-C4' energy: -47.291
flat angles P-C4'-P energy: -27.244
tors. eta vs tors. theta energy: -43.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -340.959489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.959489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.959489 (E_RNA)
where:
Base-Base interactions energy: -192.841
where: short stacking energy: -97.359
Base-Backbone interact. energy: -0.156
local terms energy: -147.961987
where:
bonds (distance) C4'-P energy: -39.192
bonds (distance) P-C4' energy: -35.756
flat angles C4'-P-C4' energy: -44.256
flat angles P-C4'-P energy: -25.864
tors. eta vs tors. theta energy: -2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -222.147284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.147284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.147284 (E_RNA)
where:
Base-Base interactions energy: -82.307
where: short stacking energy: -67.160
Base-Backbone interact. energy: 2.244
local terms energy: -142.084408
where:
bonds (distance) C4'-P energy: -42.195
bonds (distance) P-C4' energy: -36.995
flat angles C4'-P-C4' energy: -38.547
flat angles P-C4'-P energy: -26.251
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: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -867.138954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.138954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.138954 (E_RNA)
where:
Base-Base interactions energy: -606.085
where: short stacking energy: -256.454
Base-Backbone interact. energy: 0.638
local terms energy: -261.691859
where:
bonds (distance) C4'-P energy: -44.999
bonds (distance) P-C4' energy: -48.507
flat angles C4'-P-C4' energy: -55.557
flat angles P-C4'-P energy: -35.316
tors. eta vs tors. theta energy: -77.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -822.089113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.089113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.089113 (E_RNA)
where:
Base-Base interactions energy: -583.399
where: short stacking energy: -240.337
Base-Backbone interact. energy: -0.153
local terms energy: -238.536707
where:
bonds (distance) C4'-P energy: -42.376
bonds (distance) P-C4' energy: -46.416
flat angles C4'-P-C4' energy: -48.861
flat angles P-C4'-P energy: -36.589
tors. eta vs tors. theta energy: -64.294
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: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -778.155137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.155137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.155137 (E_RNA)
where:
Base-Base interactions energy: -548.821
where: short stacking energy: -233.664
Base-Backbone interact. energy: 0.963
local terms energy: -230.297529
where:
bonds (distance) C4'-P energy: -30.396
bonds (distance) P-C4' energy: -48.811
flat angles C4'-P-C4' energy: -52.200
flat angles P-C4'-P energy: -37.845
tors. eta vs tors. theta energy: -61.046
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: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -761.572119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.572119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.572119 (E_RNA)
where:
Base-Base interactions energy: -532.846
where: short stacking energy: -236.725
Base-Backbone interact. energy: 0.354
local terms energy: -229.079977
where:
bonds (distance) C4'-P energy: -48.381
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -48.938
flat angles P-C4'-P energy: -34.108
tors. eta vs tors. theta energy: -64.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -687.899127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.899127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.899127 (E_RNA)
where:
Base-Base interactions energy: -458.685
where: short stacking energy: -212.510
Base-Backbone interact. energy: 1.573
local terms energy: -230.786986
where:
bonds (distance) C4'-P energy: -42.545
bonds (distance) P-C4' energy: -50.767
flat angles C4'-P-C4' energy: -48.816
flat angles P-C4'-P energy: -27.140
tors. eta vs tors. theta energy: -61.520
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: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -656.372094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.372094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.372094 (E_RNA)
where:
Base-Base interactions energy: -441.416
where: short stacking energy: -190.303
Base-Backbone interact. energy: -0.618
local terms energy: -214.338039
where:
bonds (distance) C4'-P energy: -35.893
bonds (distance) P-C4' energy: -44.413
flat angles C4'-P-C4' energy: -45.920
flat angles P-C4'-P energy: -29.146
tors. eta vs tors. theta energy: -58.965
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: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -606.955737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.955737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.955737 (E_RNA)
where:
Base-Base interactions energy: -423.349
where: short stacking energy: -164.947
Base-Backbone interact. energy: 4.490
local terms energy: -188.096994
where:
bonds (distance) C4'-P energy: -41.877
bonds (distance) P-C4' energy: -43.999
flat angles C4'-P-C4' energy: -36.776
flat angles P-C4'-P energy: -29.144
tors. eta vs tors. theta energy: -36.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -567.035317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.035317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.035317 (E_RNA)
where:
Base-Base interactions energy: -393.526
where: short stacking energy: -167.745
Base-Backbone interact. energy: 1.396
local terms energy: -174.905570
where:
bonds (distance) C4'-P energy: -35.907
bonds (distance) P-C4' energy: -35.179
flat angles C4'-P-C4' energy: -46.325
flat angles P-C4'-P energy: -22.838
tors. eta vs tors. theta energy: -34.656
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: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -330.699074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.699074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.699074 (E_RNA)
where:
Base-Base interactions energy: -178.842
where: short stacking energy: -115.491
Base-Backbone interact. energy: 0.668
local terms energy: -152.525041
where:
bonds (distance) C4'-P energy: -42.011
bonds (distance) P-C4' energy: -33.966
flat angles C4'-P-C4' energy: -28.733
flat angles P-C4'-P energy: -26.920
tors. eta vs tors. theta energy: -20.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -247.106662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.106662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.106662 (E_RNA)
where:
Base-Base interactions energy: -101.994
where: short stacking energy: -63.295
Base-Backbone interact. energy: 3.487
local terms energy: -148.599204
where:
bonds (distance) C4'-P energy: -34.333
bonds (distance) P-C4' energy: -50.437
flat angles C4'-P-C4' energy: -35.571
flat angles P-C4'-P energy: -24.306
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -863.129395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.129395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.129395 (E_RNA)
where:
Base-Base interactions energy: -590.766
where: short stacking energy: -254.477
Base-Backbone interact. energy: -1.469
local terms energy: -270.894507
where:
bonds (distance) C4'-P energy: -54.290
bonds (distance) P-C4' energy: -49.360
flat angles C4'-P-C4' energy: -56.657
flat angles P-C4'-P energy: -29.738
tors. eta vs tors. theta energy: -80.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -829.599328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.599328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.599328 (E_RNA)
where:
Base-Base interactions energy: -589.379
where: short stacking energy: -239.348
Base-Backbone interact. energy: -2.266
local terms energy: -237.953703
where:
bonds (distance) C4'-P energy: -42.618
bonds (distance) P-C4' energy: -45.172
flat angles C4'-P-C4' energy: -54.115
flat angles P-C4'-P energy: -30.177
tors. eta vs tors. theta energy: -65.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -775.555081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.555081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.555081 (E_RNA)
where:
Base-Base interactions energy: -543.798
where: short stacking energy: -222.102
Base-Backbone interact. energy: -0.340
local terms energy: -231.417249
where:
bonds (distance) C4'-P energy: -45.158
bonds (distance) P-C4' energy: -39.431
flat angles C4'-P-C4' energy: -51.841
flat angles P-C4'-P energy: -34.178
tors. eta vs tors. theta energy: -60.809
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: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -754.937410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.937410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.937410 (E_RNA)
where:
Base-Base interactions energy: -523.256
where: short stacking energy: -224.216
Base-Backbone interact. energy: -1.655
local terms energy: -230.027042
where:
bonds (distance) C4'-P energy: -39.927
bonds (distance) P-C4' energy: -38.841
flat angles C4'-P-C4' energy: -54.871
flat angles P-C4'-P energy: -30.374
tors. eta vs tors. theta energy: -66.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -677.773935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.773935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.773935 (E_RNA)
where:
Base-Base interactions energy: -452.025
where: short stacking energy: -204.251
Base-Backbone interact. energy: -0.101
local terms energy: -225.647930
where:
bonds (distance) C4'-P energy: -48.232
bonds (distance) P-C4' energy: -35.448
flat angles C4'-P-C4' energy: -43.427
flat angles P-C4'-P energy: -40.665
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: 6, replica: 6
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -642.399880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.399880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.399880 (E_RNA)
where:
Base-Base interactions energy: -442.869
where: short stacking energy: -211.142
Base-Backbone interact. energy: -0.669
local terms energy: -198.862576
where:
bonds (distance) C4'-P energy: -32.563
bonds (distance) P-C4' energy: -38.821
flat angles C4'-P-C4' energy: -38.961
flat angles P-C4'-P energy: -34.464
tors. eta vs tors. theta energy: -54.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -649.276945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.276945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.276945 (E_RNA)
where:
Base-Base interactions energy: -455.668
where: short stacking energy: -181.310
Base-Backbone interact. energy: -0.374
local terms energy: -193.235055
where:
bonds (distance) C4'-P energy: -34.365
bonds (distance) P-C4' energy: -44.526
flat angles C4'-P-C4' energy: -42.526
flat angles P-C4'-P energy: -28.212
tors. eta vs tors. theta energy: -43.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -578.622396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.622396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.622396 (E_RNA)
where:
Base-Base interactions energy: -405.167
where: short stacking energy: -169.725
Base-Backbone interact. energy: -2.952
local terms energy: -170.503591
where:
bonds (distance) C4'-P energy: -35.553
bonds (distance) P-C4' energy: -38.971
flat angles C4'-P-C4' energy: -39.108
flat angles P-C4'-P energy: -23.416
tors. eta vs tors. theta energy: -33.455
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: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -351.489269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.489269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.489269 (E_RNA)
where:
Base-Base interactions energy: -192.715
where: short stacking energy: -110.557
Base-Backbone interact. energy: -1.331
local terms energy: -157.443582
where:
bonds (distance) C4'-P energy: -35.460
bonds (distance) P-C4' energy: -38.505
flat angles C4'-P-C4' energy: -40.784
flat angles P-C4'-P energy: -21.688
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -217.162186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.162186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.162186 (E_RNA)
where:
Base-Base interactions energy: -87.559
where: short stacking energy: -64.544
Base-Backbone interact. energy: 2.112
local terms energy: -131.715147
where:
bonds (distance) C4'-P energy: -50.367
bonds (distance) P-C4' energy: -43.857
flat angles C4'-P-C4' energy: -33.918
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: 10.454
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: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -858.681367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.681367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.681367 (E_RNA)
where:
Base-Base interactions energy: -595.579
where: short stacking energy: -247.922
Base-Backbone interact. energy: -0.192
local terms energy: -262.910116
where:
bonds (distance) C4'-P energy: -48.535
bonds (distance) P-C4' energy: -48.114
flat angles C4'-P-C4' energy: -51.859
flat angles P-C4'-P energy: -35.942
tors. eta vs tors. theta energy: -78.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -822.979723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.979723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.979723 (E_RNA)
where:
Base-Base interactions energy: -580.419
where: short stacking energy: -233.360
Base-Backbone interact. energy: -0.134
local terms energy: -242.425916
where:
bonds (distance) C4'-P energy: -46.468
bonds (distance) P-C4' energy: -45.165
flat angles C4'-P-C4' energy: -53.938
flat angles P-C4'-P energy: -38.240
tors. eta vs tors. theta energy: -58.615
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: 7
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -771.950072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.950072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.950072 (E_RNA)
where:
Base-Base interactions energy: -537.023
where: short stacking energy: -230.457
Base-Backbone interact. energy: -1.943
local terms energy: -232.984397
where:
bonds (distance) C4'-P energy: -43.563
bonds (distance) P-C4' energy: -49.953
flat angles C4'-P-C4' energy: -53.382
flat angles P-C4'-P energy: -25.862
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: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -751.176724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.176724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.176724 (E_RNA)
where:
Base-Base interactions energy: -516.593
where: short stacking energy: -232.621
Base-Backbone interact. energy: -0.227
local terms energy: -234.356189
where:
bonds (distance) C4'-P energy: -50.836
bonds (distance) P-C4' energy: -34.476
flat angles C4'-P-C4' energy: -46.463
flat angles P-C4'-P energy: -33.334
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: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -698.019523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.019523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.019523 (E_RNA)
where:
Base-Base interactions energy: -478.927
where: short stacking energy: -198.251
Base-Backbone interact. energy: -1.224
local terms energy: -217.868463
where:
bonds (distance) C4'-P energy: -43.174
bonds (distance) P-C4' energy: -46.630
flat angles C4'-P-C4' energy: -45.240
flat angles P-C4'-P energy: -28.289
tors. eta vs tors. theta energy: -54.535
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: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -647.642882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.642882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.642882 (E_RNA)
where:
Base-Base interactions energy: -443.646
where: short stacking energy: -194.149
Base-Backbone interact. energy: 1.062
local terms energy: -205.059332
where:
bonds (distance) C4'-P energy: -34.494
bonds (distance) P-C4' energy: -47.149
flat angles C4'-P-C4' energy: -44.214
flat angles P-C4'-P energy: -30.551
tors. eta vs tors. theta energy: -48.652
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: 187
Temperature: 1.200000
Total energy: -606.773699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.773699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.773699 (E_RNA)
where:
Base-Base interactions energy: -399.816
where: short stacking energy: -182.574
Base-Backbone interact. energy: -0.279
local terms energy: -206.679337
where:
bonds (distance) C4'-P energy: -42.277
bonds (distance) P-C4' energy: -37.813
flat angles C4'-P-C4' energy: -47.743
flat angles P-C4'-P energy: -30.872
tors. eta vs tors. theta energy: -47.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -499.024096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.024096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.024096 (E_RNA)
where:
Base-Base interactions energy: -346.226
where: short stacking energy: -144.600
Base-Backbone interact. energy: 3.120
local terms energy: -155.918705
where:
bonds (distance) C4'-P energy: -32.149
bonds (distance) P-C4' energy: -47.290
flat angles C4'-P-C4' energy: -37.725
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -26.897
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: 187
Temperature: 1.300000
Total energy: -361.825496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.825496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.825496 (E_RNA)
where:
Base-Base interactions energy: -202.893
where: short stacking energy: -128.298
Base-Backbone interact. energy: 1.779
local terms energy: -160.711794
where:
bonds (distance) C4'-P energy: -38.606
bonds (distance) P-C4' energy: -40.819
flat angles C4'-P-C4' energy: -35.702
flat angles P-C4'-P energy: -27.285
tors. eta vs tors. theta energy: -18.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -210.429146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.429146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.429146 (E_RNA)
where:
Base-Base interactions energy: -76.584
where: short stacking energy: -54.658
Base-Backbone interact. energy: -0.600
local terms energy: -133.245017
where:
bonds (distance) C4'-P energy: -26.210
bonds (distance) P-C4' energy: -49.962
flat angles C4'-P-C4' energy: -29.996
flat angles P-C4'-P energy: -33.090
tors. eta vs tors. theta energy: 6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -823.027160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.027160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.027160 (E_RNA)
where:
Base-Base interactions energy: -582.558
where: short stacking energy: -238.949
Base-Backbone interact. energy: -1.483
local terms energy: -238.986128
where:
bonds (distance) C4'-P energy: -50.144
bonds (distance) P-C4' energy: -37.098
flat angles C4'-P-C4' energy: -52.479
flat angles P-C4'-P energy: -31.599
tors. eta vs tors. theta energy: -67.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -841.548097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.548097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.548097 (E_RNA)
where:
Base-Base interactions energy: -579.890
where: short stacking energy: -246.475
Base-Backbone interact. energy: -0.353
local terms energy: -261.304725
where:
bonds (distance) C4'-P energy: -46.713
bonds (distance) P-C4' energy: -42.075
flat angles C4'-P-C4' energy: -55.152
flat angles P-C4'-P energy: -36.571
tors. eta vs tors. theta energy: -80.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -773.715416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.715416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.715416 (E_RNA)
where:
Base-Base interactions energy: -543.434
where: short stacking energy: -236.615
Base-Backbone interact. energy: -0.067
local terms energy: -230.214632
where:
bonds (distance) C4'-P energy: -44.103
bonds (distance) P-C4' energy: -36.678
flat angles C4'-P-C4' energy: -43.548
flat angles P-C4'-P energy: -37.334
tors. eta vs tors. theta energy: -68.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -754.771733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.771733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.771733 (E_RNA)
where:
Base-Base interactions energy: -529.171
where: short stacking energy: -219.477
Base-Backbone interact. energy: -2.133
local terms energy: -223.467524
where:
bonds (distance) C4'-P energy: -45.644
bonds (distance) P-C4' energy: -42.908
flat angles C4'-P-C4' energy: -48.326
flat angles P-C4'-P energy: -27.727
tors. eta vs tors. theta energy: -58.862
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: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -660.691150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.691150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.691150 (E_RNA)
where:
Base-Base interactions energy: -432.497
where: short stacking energy: -200.296
Base-Backbone interact. energy: 1.270
local terms energy: -229.463854
where:
bonds (distance) C4'-P energy: -49.458
bonds (distance) P-C4' energy: -46.090
flat angles C4'-P-C4' energy: -51.135
flat angles P-C4'-P energy: -28.163
tors. eta vs tors. theta energy: -54.618
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: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -633.389127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.389127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.389127 (E_RNA)
where:
Base-Base interactions energy: -429.902
where: short stacking energy: -196.488
Base-Backbone interact. energy: -0.464
local terms energy: -203.022326
where:
bonds (distance) C4'-P energy: -35.702
bonds (distance) P-C4' energy: -43.297
flat angles C4'-P-C4' energy: -48.670
flat angles P-C4'-P energy: -27.211
tors. eta vs tors. theta energy: -48.142
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: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -602.109058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.109058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.109058 (E_RNA)
where:
Base-Base interactions energy: -404.911
where: short stacking energy: -171.954
Base-Backbone interact. energy: -1.495
local terms energy: -195.702815
where:
bonds (distance) C4'-P energy: -35.421
bonds (distance) P-C4' energy: -40.110
flat angles C4'-P-C4' energy: -50.953
flat angles P-C4'-P energy: -25.772
tors. eta vs tors. theta energy: -43.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -456.803183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.803183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.803183 (E_RNA)
where:
Base-Base interactions energy: -299.016
where: short stacking energy: -127.821
Base-Backbone interact. energy: -0.521
local terms energy: -157.266020
where:
bonds (distance) C4'-P energy: -38.694
bonds (distance) P-C4' energy: -36.224
flat angles C4'-P-C4' energy: -35.238
flat angles P-C4'-P energy: -26.205
tors. eta vs tors. theta energy: -20.905
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: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -307.959083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.959083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.959083 (E_RNA)
where:
Base-Base interactions energy: -157.554
where: short stacking energy: -72.888
Base-Backbone interact. energy: 0.203
local terms energy: -150.608354
where:
bonds (distance) C4'-P energy: -36.924
bonds (distance) P-C4' energy: -41.899
flat angles C4'-P-C4' energy: -40.522
flat angles P-C4'-P energy: -21.569
tors. eta vs tors. theta energy: -9.695
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: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -214.746611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.746611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.746611 (E_RNA)
where:
Base-Base interactions energy: -82.120
where: short stacking energy: -72.529
Base-Backbone interact. energy: 0.248
local terms energy: -132.874771
where:
bonds (distance) C4'-P energy: -36.970
bonds (distance) P-C4' energy: -37.060
flat angles C4'-P-C4' energy: -36.748
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -811.662906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.662906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.662906 (E_RNA)
where:
Base-Base interactions energy: -572.441
where: short stacking energy: -226.226
Base-Backbone interact. energy: -2.097
local terms energy: -237.124914
where:
bonds (distance) C4'-P energy: -49.928
bonds (distance) P-C4' energy: -37.501
flat angles C4'-P-C4' energy: -49.716
flat angles P-C4'-P energy: -35.852
tors. eta vs tors. theta energy: -64.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -842.382740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.382740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.382740 (E_RNA)
where:
Base-Base interactions energy: -580.029
where: short stacking energy: -240.507
Base-Backbone interact. energy: -0.331
local terms energy: -262.022416
where:
bonds (distance) C4'-P energy: -54.076
bonds (distance) P-C4' energy: -44.769
flat angles C4'-P-C4' energy: -48.558
flat angles P-C4'-P energy: -37.163
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: 3, replica: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -783.558823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.558823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.558823 (E_RNA)
where:
Base-Base interactions energy: -543.318
where: short stacking energy: -226.085
Base-Backbone interact. energy: -1.824
local terms energy: -238.416900
where:
bonds (distance) C4'-P energy: -38.175
bonds (distance) P-C4' energy: -47.354
flat angles C4'-P-C4' energy: -50.536
flat angles P-C4'-P energy: -31.774
tors. eta vs tors. theta energy: -70.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -767.504376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.504376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.504376 (E_RNA)
where:
Base-Base interactions energy: -542.323
where: short stacking energy: -219.429
Base-Backbone interact. energy: -0.677
local terms energy: -224.504740
where:
bonds (distance) C4'-P energy: -43.439
bonds (distance) P-C4' energy: -41.783
flat angles C4'-P-C4' energy: -46.366
flat angles P-C4'-P energy: -33.399
tors. eta vs tors. theta energy: -59.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -674.828671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.828671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.828671 (E_RNA)
where:
Base-Base interactions energy: -455.254
where: short stacking energy: -206.605
Base-Backbone interact. energy: -1.309
local terms energy: -218.266215
where:
bonds (distance) C4'-P energy: -44.844
bonds (distance) P-C4' energy: -47.666
flat angles C4'-P-C4' energy: -43.770
flat angles P-C4'-P energy: -31.810
tors. eta vs tors. theta energy: -50.176
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: 189
Temperature: 1.150000
Total energy: -626.639723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.639723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.639723 (E_RNA)
where:
Base-Base interactions energy: -426.306
where: short stacking energy: -175.172
Base-Backbone interact. energy: -0.341
local terms energy: -199.992429
where:
bonds (distance) C4'-P energy: -45.532
bonds (distance) P-C4' energy: -45.481
flat angles C4'-P-C4' energy: -36.536
flat angles P-C4'-P energy: -30.398
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: 7, replica: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -601.039848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.039848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.039848 (E_RNA)
where:
Base-Base interactions energy: -412.354
where: short stacking energy: -182.243
Base-Backbone interact. energy: -1.693
local terms energy: -186.993336
where:
bonds (distance) C4'-P energy: -34.978
bonds (distance) P-C4' energy: -41.719
flat angles C4'-P-C4' energy: -43.904
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -46.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -481.478108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.478108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.478108 (E_RNA)
where:
Base-Base interactions energy: -304.852
where: short stacking energy: -154.241
Base-Backbone interact. energy: -0.446
local terms energy: -176.179703
where:
bonds (distance) C4'-P energy: -34.749
bonds (distance) P-C4' energy: -42.741
flat angles C4'-P-C4' energy: -44.359
flat angles P-C4'-P energy: -21.166
tors. eta vs tors. theta energy: -33.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -318.671621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.671621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.671621 (E_RNA)
where:
Base-Base interactions energy: -170.193
where: short stacking energy: -88.215
Base-Backbone interact. energy: -0.238
local terms energy: -148.240034
where:
bonds (distance) C4'-P energy: -36.363
bonds (distance) P-C4' energy: -43.015
flat angles C4'-P-C4' energy: -37.941
flat angles P-C4'-P energy: -33.230
tors. eta vs tors. theta energy: 2.308
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: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -225.661117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.661117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.661117 (E_RNA)
where:
Base-Base interactions energy: -94.472
where: short stacking energy: -66.451
Base-Backbone interact. energy: -0.075
local terms energy: -131.113951
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -39.447
flat angles C4'-P-C4' energy: -33.532
flat angles P-C4'-P energy: -22.275
tors. eta vs tors. theta energy: -2.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -856.677849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.677849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.677849 (E_RNA)
where:
Base-Base interactions energy: -587.942
where: short stacking energy: -270.270
Base-Backbone interact. energy: -1.006
local terms energy: -267.729740
where:
bonds (distance) C4'-P energy: -45.731
bonds (distance) P-C4' energy: -48.699
flat angles C4'-P-C4' energy: -54.220
flat angles P-C4'-P energy: -37.861
tors. eta vs tors. theta energy: -81.219
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: 2, replica: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -839.569180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.569180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.569180 (E_RNA)
where:
Base-Base interactions energy: -603.109
where: short stacking energy: -230.927
Base-Backbone interact. energy: -1.523
local terms energy: -234.937853
where:
bonds (distance) C4'-P energy: -41.811
bonds (distance) P-C4' energy: -40.605
flat angles C4'-P-C4' energy: -50.287
flat angles P-C4'-P energy: -33.980
tors. eta vs tors. theta energy: -68.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -775.188261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.188261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.188261 (E_RNA)
where:
Base-Base interactions energy: -537.569
where: short stacking energy: -223.047
Base-Backbone interact. energy: -1.054
local terms energy: -236.565968
where:
bonds (distance) C4'-P energy: -41.420
bonds (distance) P-C4' energy: -50.770
flat angles C4'-P-C4' energy: -58.690
flat angles P-C4'-P energy: -29.480
tors. eta vs tors. theta energy: -56.207
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: 1
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -745.700157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.700157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.700157 (E_RNA)
where:
Base-Base interactions energy: -506.730
where: short stacking energy: -208.224
Base-Backbone interact. energy: -0.899
local terms energy: -238.070542
where:
bonds (distance) C4'-P energy: -42.442
bonds (distance) P-C4' energy: -44.508
flat angles C4'-P-C4' energy: -52.881
flat angles P-C4'-P energy: -33.723
tors. eta vs tors. theta energy: -64.517
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: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -653.148865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.148865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.148865 (E_RNA)
where:
Base-Base interactions energy: -434.713
where: short stacking energy: -194.587
Base-Backbone interact. energy: -0.937
local terms energy: -217.499651
where:
bonds (distance) C4'-P energy: -48.319
bonds (distance) P-C4' energy: -38.175
flat angles C4'-P-C4' energy: -47.227
flat angles P-C4'-P energy: -29.726
tors. eta vs tors. theta energy: -54.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -654.816097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.816097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.816097 (E_RNA)
where:
Base-Base interactions energy: -432.286
where: short stacking energy: -200.215
Base-Backbone interact. energy: -0.195
local terms energy: -222.335118
where:
bonds (distance) C4'-P energy: -35.183
bonds (distance) P-C4' energy: -46.575
flat angles C4'-P-C4' energy: -51.589
flat angles P-C4'-P energy: -32.217
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: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -539.572147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.572147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.572147 (E_RNA)
where:
Base-Base interactions energy: -359.122
where: short stacking energy: -157.169
Base-Backbone interact. energy: 1.018
local terms energy: -181.468123
where:
bonds (distance) C4'-P energy: -32.551
bonds (distance) P-C4' energy: -35.193
flat angles C4'-P-C4' energy: -42.814
flat angles P-C4'-P energy: -32.356
tors. eta vs tors. theta energy: -38.554
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: 2
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -502.161011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.161011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.161011 (E_RNA)
where:
Base-Base interactions energy: -333.362
where: short stacking energy: -129.500
Base-Backbone interact. energy: 3.047
local terms energy: -171.846083
where:
bonds (distance) C4'-P energy: -38.885
bonds (distance) P-C4' energy: -41.099
flat angles C4'-P-C4' energy: -47.655
flat angles P-C4'-P energy: -22.812
tors. eta vs tors. theta energy: -21.395
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: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -242.324710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.324710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.324710 (E_RNA)
where:
Base-Base interactions energy: -96.937
where: short stacking energy: -84.929
Base-Backbone interact. energy: 1.412
local terms energy: -146.799432
where:
bonds (distance) C4'-P energy: -32.972
bonds (distance) P-C4' energy: -35.812
flat angles C4'-P-C4' energy: -38.588
flat angles P-C4'-P energy: -26.123
tors. eta vs tors. theta energy: -13.304
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: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -327.884077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.884077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.884077 (E_RNA)
where:
Base-Base interactions energy: -186.645
where: short stacking energy: -91.632
Base-Backbone interact. energy: -0.788
local terms energy: -140.451481
where:
bonds (distance) C4'-P energy: -31.557
bonds (distance) P-C4' energy: -41.364
flat angles C4'-P-C4' energy: -43.341
flat angles P-C4'-P energy: -22.146
tors. eta vs tors. theta energy: -2.044
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: 1, replica: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -848.763403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.763403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.763403 (E_RNA)
where:
Base-Base interactions energy: -596.520
where: short stacking energy: -255.866
Base-Backbone interact. energy: -0.909
local terms energy: -251.334349
where:
bonds (distance) C4'-P energy: -40.135
bonds (distance) P-C4' energy: -44.050
flat angles C4'-P-C4' energy: -55.088
flat angles P-C4'-P energy: -32.462
tors. eta vs tors. theta energy: -79.600
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: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -826.945212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.945212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.945212 (E_RNA)
where:
Base-Base interactions energy: -583.866
where: short stacking energy: -227.744
Base-Backbone interact. energy: -1.387
local terms energy: -241.692760
where:
bonds (distance) C4'-P energy: -44.511
bonds (distance) P-C4' energy: -46.720
flat angles C4'-P-C4' energy: -47.555
flat angles P-C4'-P energy: -36.462
tors. eta vs tors. theta energy: -66.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -781.514181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.514181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.514181 (E_RNA)
where:
Base-Base interactions energy: -554.682
where: short stacking energy: -231.409
Base-Backbone interact. energy: -0.340
local terms energy: -226.492374
where:
bonds (distance) C4'-P energy: -40.466
bonds (distance) P-C4' energy: -39.312
flat angles C4'-P-C4' energy: -52.255
flat angles P-C4'-P energy: -26.974
tors. eta vs tors. theta energy: -67.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -748.308500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.308500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.308500 (E_RNA)
where:
Base-Base interactions energy: -511.746
where: short stacking energy: -222.695
Base-Backbone interact. energy: -0.419
local terms energy: -236.143594
where:
bonds (distance) C4'-P energy: -48.647
bonds (distance) P-C4' energy: -39.482
flat angles C4'-P-C4' energy: -53.171
flat angles P-C4'-P energy: -25.575
tors. eta vs tors. theta energy: -69.269
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: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -655.903912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.903912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.903912 (E_RNA)
where:
Base-Base interactions energy: -440.970
where: short stacking energy: -206.074
Base-Backbone interact. energy: -1.238
local terms energy: -213.696007
where:
bonds (distance) C4'-P energy: -37.494
bonds (distance) P-C4' energy: -47.182
flat angles C4'-P-C4' energy: -43.535
flat angles P-C4'-P energy: -32.920
tors. eta vs tors. theta energy: -52.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -678.581382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.581382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.581382 (E_RNA)
where:
Base-Base interactions energy: -443.797
where: short stacking energy: -201.740
Base-Backbone interact. energy: -0.945
local terms energy: -233.838511
where:
bonds (distance) C4'-P energy: -41.639
bonds (distance) P-C4' energy: -51.621
flat angles C4'-P-C4' energy: -54.328
flat angles P-C4'-P energy: -25.988
tors. eta vs tors. theta energy: -60.262
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: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -587.966971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.966971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.966971 (E_RNA)
where:
Base-Base interactions energy: -394.013
where: short stacking energy: -171.460
Base-Backbone interact. energy: 0.967
local terms energy: -194.920607
where:
bonds (distance) C4'-P energy: -38.078
bonds (distance) P-C4' energy: -38.979
flat angles C4'-P-C4' energy: -42.275
flat angles P-C4'-P energy: -33.017
tors. eta vs tors. theta energy: -42.571
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: 191
Temperature: 1.250000
Total energy: -516.790778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.790778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.790778 (E_RNA)
where:
Base-Base interactions energy: -337.175
where: short stacking energy: -132.037
Base-Backbone interact. energy: -1.003
local terms energy: -178.613041
where:
bonds (distance) C4'-P energy: -41.154
bonds (distance) P-C4' energy: -45.245
flat angles C4'-P-C4' energy: -44.424
flat angles P-C4'-P energy: -23.581
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: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -298.225390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.225390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.225390 (E_RNA)
where:
Base-Base interactions energy: -154.008
where: short stacking energy: -92.682
Base-Backbone interact. energy: -0.562
local terms energy: -143.655501
where:
bonds (distance) C4'-P energy: -36.639
bonds (distance) P-C4' energy: -31.293
flat angles C4'-P-C4' energy: -41.568
flat angles P-C4'-P energy: -25.991
tors. eta vs tors. theta energy: -8.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -272.582078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.582078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.582078 (E_RNA)
where:
Base-Base interactions energy: -129.256
where: short stacking energy: -78.283
Base-Backbone interact. energy: -1.640
local terms energy: -141.686143
where:
bonds (distance) C4'-P energy: -39.598
bonds (distance) P-C4' energy: -47.091
flat angles C4'-P-C4' energy: -38.953
flat angles P-C4'-P energy: -18.910
tors. eta vs tors. theta energy: 2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -842.681441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.681441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.681441 (E_RNA)
where:
Base-Base interactions energy: -588.568
where: short stacking energy: -248.041
Base-Backbone interact. energy: -1.196
local terms energy: -252.917379
where:
bonds (distance) C4'-P energy: -49.163
bonds (distance) P-C4' energy: -47.293
flat angles C4'-P-C4' energy: -46.787
flat angles P-C4'-P energy: -35.109
tors. eta vs tors. theta energy: -74.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -825.031859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.031859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.031859 (E_RNA)
where:
Base-Base interactions energy: -573.487
where: short stacking energy: -234.703
Base-Backbone interact. energy: -0.923
local terms energy: -250.621292
where:
bonds (distance) C4'-P energy: -51.349
bonds (distance) P-C4' energy: -45.159
flat angles C4'-P-C4' energy: -48.833
flat angles P-C4'-P energy: -37.935
tors. eta vs tors. theta energy: -67.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -793.150468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.150468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.150468 (E_RNA)
where:
Base-Base interactions energy: -555.250
where: short stacking energy: -224.017
Base-Backbone interact. energy: -1.322
local terms energy: -236.577752
where:
bonds (distance) C4'-P energy: -43.455
bonds (distance) P-C4' energy: -47.888
flat angles C4'-P-C4' energy: -50.575
flat angles P-C4'-P energy: -30.087
tors. eta vs tors. theta energy: -64.573
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: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -756.427475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.427475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.427475 (E_RNA)
where:
Base-Base interactions energy: -534.767
where: short stacking energy: -232.210
Base-Backbone interact. energy: -0.174
local terms energy: -221.486850
where:
bonds (distance) C4'-P energy: -46.990
bonds (distance) P-C4' energy: -41.169
flat angles C4'-P-C4' energy: -44.241
flat angles P-C4'-P energy: -30.285
tors. eta vs tors. theta energy: -58.802
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: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -647.636273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.636273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.636273 (E_RNA)
where:
Base-Base interactions energy: -430.620
where: short stacking energy: -226.271
Base-Backbone interact. energy: 0.964
local terms energy: -217.980347
where:
bonds (distance) C4'-P energy: -46.134
bonds (distance) P-C4' energy: -36.915
flat angles C4'-P-C4' energy: -54.039
flat angles P-C4'-P energy: -21.719
tors. eta vs tors. theta energy: -59.173
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: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -652.935667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.935667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.935667 (E_RNA)
where:
Base-Base interactions energy: -431.583
where: short stacking energy: -205.221
Base-Backbone interact. energy: 0.681
local terms energy: -222.033634
where:
bonds (distance) C4'-P energy: -36.716
bonds (distance) P-C4' energy: -46.241
flat angles C4'-P-C4' energy: -46.704
flat angles P-C4'-P energy: -35.847
tors. eta vs tors. theta energy: -56.525
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: 7, replica: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -612.533157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.533157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.533157 (E_RNA)
where:
Base-Base interactions energy: -410.923
where: short stacking energy: -176.725
Base-Backbone interact. energy: -0.609
local terms energy: -201.000793
where:
bonds (distance) C4'-P energy: -43.186
bonds (distance) P-C4' energy: -38.191
flat angles C4'-P-C4' energy: -47.041
flat angles P-C4'-P energy: -27.992
tors. eta vs tors. theta energy: -44.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -521.912011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.912011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.912011 (E_RNA)
where:
Base-Base interactions energy: -347.906
where: short stacking energy: -155.513
Base-Backbone interact. energy: -1.769
local terms energy: -172.237051
where:
bonds (distance) C4'-P energy: -45.435
bonds (distance) P-C4' energy: -34.154
flat angles C4'-P-C4' energy: -31.149
flat angles P-C4'-P energy: -27.358
tors. eta vs tors. theta energy: -34.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -249.335904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.335904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.335904 (E_RNA)
where:
Base-Base interactions energy: -104.466
where: short stacking energy: -79.270
Base-Backbone interact. energy: -1.688
local terms energy: -143.181852
where:
bonds (distance) C4'-P energy: -28.491
bonds (distance) P-C4' energy: -32.367
flat angles C4'-P-C4' energy: -43.043
flat angles P-C4'-P energy: -26.512
tors. eta vs tors. theta energy: -12.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -336.721382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.721382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.721382 (E_RNA)
where:
Base-Base interactions energy: -192.541
where: short stacking energy: -106.511
Base-Backbone interact. energy: -0.843
local terms energy: -143.336950
where:
bonds (distance) C4'-P energy: -40.243
bonds (distance) P-C4' energy: -46.125
flat angles C4'-P-C4' energy: -32.334
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -12.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -857.423570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.423570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.423570 (E_RNA)
where:
Base-Base interactions energy: -605.526
where: short stacking energy: -237.311
Base-Backbone interact. energy: -1.245
local terms energy: -250.653257
where:
bonds (distance) C4'-P energy: -37.166
bonds (distance) P-C4' energy: -48.816
flat angles C4'-P-C4' energy: -49.578
flat angles P-C4'-P energy: -42.887
tors. eta vs tors. theta energy: -72.206
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: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -815.669841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.669841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.669841 (E_RNA)
where:
Base-Base interactions energy: -563.694
where: short stacking energy: -234.088
Base-Backbone interact. energy: -2.730
local terms energy: -249.245280
where:
bonds (distance) C4'-P energy: -46.369
bonds (distance) P-C4' energy: -49.024
flat angles C4'-P-C4' energy: -54.292
flat angles P-C4'-P energy: -39.849
tors. eta vs tors. theta energy: -59.711
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: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -821.564031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.564031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.564031 (E_RNA)
where:
Base-Base interactions energy: -577.384
where: short stacking energy: -231.143
Base-Backbone interact. energy: 5.867
local terms energy: -250.046164
where:
bonds (distance) C4'-P energy: -49.445
bonds (distance) P-C4' energy: -47.154
flat angles C4'-P-C4' energy: -56.623
flat angles P-C4'-P energy: -35.440
tors. eta vs tors. theta energy: -61.385
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: 1
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -762.077045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.077045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.077045 (E_RNA)
where:
Base-Base interactions energy: -531.006
where: short stacking energy: -222.930
Base-Backbone interact. energy: -2.179
local terms energy: -228.891961
where:
bonds (distance) C4'-P energy: -43.123
bonds (distance) P-C4' energy: -50.612
flat angles C4'-P-C4' energy: -39.813
flat angles P-C4'-P energy: -31.297
tors. eta vs tors. theta energy: -64.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -680.906589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.906589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.906589 (E_RNA)
where:
Base-Base interactions energy: -452.568
where: short stacking energy: -221.900
Base-Backbone interact. energy: -0.609
local terms energy: -227.729552
where:
bonds (distance) C4'-P energy: -44.116
bonds (distance) P-C4' energy: -37.873
flat angles C4'-P-C4' energy: -49.334
flat angles P-C4'-P energy: -35.054
tors. eta vs tors. theta energy: -61.351
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: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -670.686743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.686743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.686743 (E_RNA)
where:
Base-Base interactions energy: -455.848
where: short stacking energy: -210.286
Base-Backbone interact. energy: -0.399
local terms energy: -214.439551
where:
bonds (distance) C4'-P energy: -40.862
bonds (distance) P-C4' energy: -41.888
flat angles C4'-P-C4' energy: -48.108
flat angles P-C4'-P energy: -33.666
tors. eta vs tors. theta energy: -49.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -577.457358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.457358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.457358 (E_RNA)
where:
Base-Base interactions energy: -381.308
where: short stacking energy: -186.773
Base-Backbone interact. energy: 0.464
local terms energy: -196.613748
where:
bonds (distance) C4'-P energy: -33.018
bonds (distance) P-C4' energy: -49.544
flat angles C4'-P-C4' energy: -43.966
flat angles P-C4'-P energy: -20.431
tors. eta vs tors. theta energy: -49.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -519.056102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.056102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.056102 (E_RNA)
where:
Base-Base interactions energy: -321.475
where: short stacking energy: -143.642
Base-Backbone interact. energy: -1.426
local terms energy: -196.154860
where:
bonds (distance) C4'-P energy: -41.789
bonds (distance) P-C4' energy: -50.518
flat angles C4'-P-C4' energy: -42.426
flat angles P-C4'-P energy: -31.564
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: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -236.844903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.844903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.844903 (E_RNA)
where:
Base-Base interactions energy: -95.250
where: short stacking energy: -78.272
Base-Backbone interact. energy: 1.672
local terms energy: -143.267160
where:
bonds (distance) C4'-P energy: -28.303
bonds (distance) P-C4' energy: -40.491
flat angles C4'-P-C4' energy: -40.297
flat angles P-C4'-P energy: -28.484
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -301.362209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.362209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.362209 (E_RNA)
where:
Base-Base interactions energy: -168.351
where: short stacking energy: -82.275
Base-Backbone interact. energy: -0.520
local terms energy: -132.490944
where:
bonds (distance) C4'-P energy: -45.728
bonds (distance) P-C4' energy: -40.796
flat angles C4'-P-C4' energy: -39.454
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: 7.267
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: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -855.104485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.104485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.104485 (E_RNA)
where:
Base-Base interactions energy: -596.706
where: short stacking energy: -252.483
Base-Backbone interact. energy: 2.176
local terms energy: -260.574499
where:
bonds (distance) C4'-P energy: -44.053
bonds (distance) P-C4' energy: -43.990
flat angles C4'-P-C4' energy: -57.221
flat angles P-C4'-P energy: -39.716
tors. eta vs tors. theta energy: -75.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -806.161654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.161654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.161654 (E_RNA)
where:
Base-Base interactions energy: -550.060
where: short stacking energy: -227.549
Base-Backbone interact. energy: -2.145
local terms energy: -253.956184
where:
bonds (distance) C4'-P energy: -44.255
bonds (distance) P-C4' energy: -52.228
flat angles C4'-P-C4' energy: -50.343
flat angles P-C4'-P energy: -39.872
tors. eta vs tors. theta energy: -67.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -775.590044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.590044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.590044 (E_RNA)
where:
Base-Base interactions energy: -538.249
where: short stacking energy: -222.246
Base-Backbone interact. energy: 1.238
local terms energy: -238.578844
where:
bonds (distance) C4'-P energy: -48.349
bonds (distance) P-C4' energy: -46.679
flat angles C4'-P-C4' energy: -50.347
flat angles P-C4'-P energy: -33.740
tors. eta vs tors. theta energy: -59.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -805.817751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.817751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.817751 (E_RNA)
where:
Base-Base interactions energy: -572.749
where: short stacking energy: -246.361
Base-Backbone interact. energy: 0.160
local terms energy: -233.228610
where:
bonds (distance) C4'-P energy: -47.220
bonds (distance) P-C4' energy: -44.388
flat angles C4'-P-C4' energy: -47.878
flat angles P-C4'-P energy: -25.421
tors. eta vs tors. theta energy: -68.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -660.225811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.225811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.225811 (E_RNA)
where:
Base-Base interactions energy: -438.588
where: short stacking energy: -207.132
Base-Backbone interact. energy: -0.659
local terms energy: -220.978325
where:
bonds (distance) C4'-P energy: -36.550
bonds (distance) P-C4' energy: -49.399
flat angles C4'-P-C4' energy: -53.738
flat angles P-C4'-P energy: -27.421
tors. eta vs tors. theta energy: -53.870
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: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -651.945062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.945062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.945062 (E_RNA)
where:
Base-Base interactions energy: -441.427
where: short stacking energy: -205.571
Base-Backbone interact. energy: 0.197
local terms energy: -210.714741
where:
bonds (distance) C4'-P energy: -35.652
bonds (distance) P-C4' energy: -47.260
flat angles C4'-P-C4' energy: -47.879
flat angles P-C4'-P energy: -27.283
tors. eta vs tors. theta energy: -52.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -586.599633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.599633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.599633 (E_RNA)
where:
Base-Base interactions energy: -396.149
where: short stacking energy: -167.082
Base-Backbone interact. energy: -0.117
local terms energy: -190.333672
where:
bonds (distance) C4'-P energy: -42.533
bonds (distance) P-C4' energy: -38.473
flat angles C4'-P-C4' energy: -45.980
flat angles P-C4'-P energy: -26.290
tors. eta vs tors. theta energy: -37.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -536.690789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.690789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.690789 (E_RNA)
where:
Base-Base interactions energy: -336.681
where: short stacking energy: -149.676
Base-Backbone interact. energy: 3.445
local terms energy: -203.454123
where:
bonds (distance) C4'-P energy: -44.970
bonds (distance) P-C4' energy: -46.404
flat angles C4'-P-C4' energy: -45.763
flat angles P-C4'-P energy: -29.625
tors. eta vs tors. theta energy: -36.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -311.908189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.908189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.908189 (E_RNA)
where:
Base-Base interactions energy: -142.568
where: short stacking energy: -87.397
Base-Backbone interact. energy: -0.294
local terms energy: -169.046520
where:
bonds (distance) C4'-P energy: -39.852
bonds (distance) P-C4' energy: -50.794
flat angles C4'-P-C4' energy: -41.761
flat angles P-C4'-P energy: -21.879
tors. eta vs tors. theta energy: -14.761
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: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -206.734022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.734022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.734022 (E_RNA)
where:
Base-Base interactions energy: -78.133
where: short stacking energy: -68.887
Base-Backbone interact. energy: 0.246
local terms energy: -128.846823
where:
bonds (distance) C4'-P energy: -36.091
bonds (distance) P-C4' energy: -34.907
flat angles C4'-P-C4' energy: -33.838
flat angles P-C4'-P energy: -25.004
tors. eta vs tors. theta energy: 0.993
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: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -860.237410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.237410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.237410 (E_RNA)
where:
Base-Base interactions energy: -601.712
where: short stacking energy: -259.414
Base-Backbone interact. energy: -1.394
local terms energy: -257.131540
where:
bonds (distance) C4'-P energy: -43.621
bonds (distance) P-C4' energy: -45.672
flat angles C4'-P-C4' energy: -55.831
flat angles P-C4'-P energy: -35.054
tors. eta vs tors. theta energy: -76.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -797.585998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.585998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.585998 (E_RNA)
where:
Base-Base interactions energy: -544.424
where: short stacking energy: -234.944
Base-Backbone interact. energy: -2.166
local terms energy: -250.996446
where:
bonds (distance) C4'-P energy: -49.570
bonds (distance) P-C4' energy: -54.000
flat angles C4'-P-C4' energy: -50.078
flat angles P-C4'-P energy: -32.160
tors. eta vs tors. theta energy: -65.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -761.023761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.023761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.023761 (E_RNA)
where:
Base-Base interactions energy: -523.520
where: short stacking energy: -227.303
Base-Backbone interact. energy: -0.804
local terms energy: -236.699540
where:
bonds (distance) C4'-P energy: -51.219
bonds (distance) P-C4' energy: -47.717
flat angles C4'-P-C4' energy: -51.652
flat angles P-C4'-P energy: -28.191
tors. eta vs tors. theta energy: -57.921
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: 8
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -796.599222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.599222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.599222 (E_RNA)
where:
Base-Base interactions energy: -565.862
where: short stacking energy: -244.997
Base-Backbone interact. energy: -0.379
local terms energy: -230.358235
where:
bonds (distance) C4'-P energy: -36.152
bonds (distance) P-C4' energy: -40.686
flat angles C4'-P-C4' energy: -47.746
flat angles P-C4'-P energy: -35.775
tors. eta vs tors. theta energy: -70.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -668.061806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.061806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.061806 (E_RNA)
where:
Base-Base interactions energy: -447.505
where: short stacking energy: -203.541
Base-Backbone interact. energy: -0.799
local terms energy: -219.757663
where:
bonds (distance) C4'-P energy: -39.547
bonds (distance) P-C4' energy: -42.934
flat angles C4'-P-C4' energy: -49.259
flat angles P-C4'-P energy: -32.432
tors. eta vs tors. theta energy: -55.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -646.232903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.232903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.232903 (E_RNA)
where:
Base-Base interactions energy: -440.900
where: short stacking energy: -199.204
Base-Backbone interact. energy: -0.293
local terms energy: -205.039609
where:
bonds (distance) C4'-P energy: -40.271
bonds (distance) P-C4' energy: -37.108
flat angles C4'-P-C4' energy: -51.223
flat angles P-C4'-P energy: -29.681
tors. eta vs tors. theta energy: -46.757
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: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -548.722352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.722352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.722352 (E_RNA)
where:
Base-Base interactions energy: -349.047
where: short stacking energy: -153.425
Base-Backbone interact. energy: -1.249
local terms energy: -198.426383
where:
bonds (distance) C4'-P energy: -40.761
bonds (distance) P-C4' energy: -52.700
flat angles C4'-P-C4' energy: -45.698
flat angles P-C4'-P energy: -28.772
tors. eta vs tors. theta energy: -30.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -530.702705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.702705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.702705 (E_RNA)
where:
Base-Base interactions energy: -356.775
where: short stacking energy: -164.442
Base-Backbone interact. energy: -1.288
local terms energy: -172.639752
where:
bonds (distance) C4'-P energy: -41.488
bonds (distance) P-C4' energy: -40.967
flat angles C4'-P-C4' energy: -32.780
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -43.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -348.865891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.865891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.865891 (E_RNA)
where:
Base-Base interactions energy: -195.863
where: short stacking energy: -96.011
Base-Backbone interact. energy: -0.225
local terms energy: -152.777850
where:
bonds (distance) C4'-P energy: -30.936
bonds (distance) P-C4' energy: -41.939
flat angles C4'-P-C4' energy: -46.709
flat angles P-C4'-P energy: -19.442
tors. eta vs tors. theta energy: -13.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -216.923075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.923075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.923075 (E_RNA)
where:
Base-Base interactions energy: -100.707
where: short stacking energy: -78.792
Base-Backbone interact. energy: -0.597
local terms energy: -115.618183
where:
bonds (distance) C4'-P energy: -27.935
bonds (distance) P-C4' energy: -44.767
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -3.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -849.808059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.808059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.808059 (E_RNA)
where:
Base-Base interactions energy: -587.486
where: short stacking energy: -250.406
Base-Backbone interact. energy: -1.880
local terms energy: -260.441354
where:
bonds (distance) C4'-P energy: -53.865
bonds (distance) P-C4' energy: -46.387
flat angles C4'-P-C4' energy: -53.410
flat angles P-C4'-P energy: -32.375
tors. eta vs tors. theta energy: -74.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -806.439130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.439130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.439130 (E_RNA)
where:
Base-Base interactions energy: -557.415
where: short stacking energy: -233.980
Base-Backbone interact. energy: -0.734
local terms energy: -248.289911
where:
bonds (distance) C4'-P energy: -44.015
bonds (distance) P-C4' energy: -51.833
flat angles C4'-P-C4' energy: -56.679
flat angles P-C4'-P energy: -32.272
tors. eta vs tors. theta energy: -63.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -804.800625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.800625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.800625 (E_RNA)
where:
Base-Base interactions energy: -561.640
where: short stacking energy: -229.346
Base-Backbone interact. energy: -1.350
local terms energy: -241.809999
where:
bonds (distance) C4'-P energy: -36.622
bonds (distance) P-C4' energy: -45.727
flat angles C4'-P-C4' energy: -54.127
flat angles P-C4'-P energy: -35.406
tors. eta vs tors. theta energy: -69.929
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: 4, replica: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -752.311555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.311555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.311555 (E_RNA)
where:
Base-Base interactions energy: -511.287
where: short stacking energy: -206.652
Base-Backbone interact. energy: -0.538
local terms energy: -240.486728
where:
bonds (distance) C4'-P energy: -46.379
bonds (distance) P-C4' energy: -52.022
flat angles C4'-P-C4' energy: -45.068
flat angles P-C4'-P energy: -33.487
tors. eta vs tors. theta energy: -63.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -664.744788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.744788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.744788 (E_RNA)
where:
Base-Base interactions energy: -447.031
where: short stacking energy: -200.629
Base-Backbone interact. energy: -0.159
local terms energy: -217.554949
where:
bonds (distance) C4'-P energy: -40.765
bonds (distance) P-C4' energy: -33.037
flat angles C4'-P-C4' energy: -47.212
flat angles P-C4'-P energy: -37.854
tors. eta vs tors. theta energy: -58.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -667.344606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.344606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.344606 (E_RNA)
where:
Base-Base interactions energy: -443.956
where: short stacking energy: -180.165
Base-Backbone interact. energy: -1.075
local terms energy: -222.313905
where:
bonds (distance) C4'-P energy: -42.533
bonds (distance) P-C4' energy: -44.794
flat angles C4'-P-C4' energy: -50.574
flat angles P-C4'-P energy: -33.261
tors. eta vs tors. theta energy: -51.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -573.122653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.122653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.122653 (E_RNA)
where:
Base-Base interactions energy: -378.636
where: short stacking energy: -176.779
Base-Backbone interact. energy: -0.501
local terms energy: -193.984978
where:
bonds (distance) C4'-P energy: -36.623
bonds (distance) P-C4' energy: -43.057
flat angles C4'-P-C4' energy: -44.371
flat angles P-C4'-P energy: -31.322
tors. eta vs tors. theta energy: -38.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -542.462987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.462987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.462987 (E_RNA)
where:
Base-Base interactions energy: -372.349
where: short stacking energy: -155.458
Base-Backbone interact. energy: -0.411
local terms energy: -169.703058
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -36.785
flat angles C4'-P-C4' energy: -43.192
flat angles P-C4'-P energy: -33.476
tors. eta vs tors. theta energy: -31.728
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: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -406.814872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.814872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.814872 (E_RNA)
where:
Base-Base interactions energy: -237.955
where: short stacking energy: -121.266
Base-Backbone interact. energy: -1.170
local terms energy: -167.689524
where:
bonds (distance) C4'-P energy: -33.185
bonds (distance) P-C4' energy: -33.798
flat angles C4'-P-C4' energy: -46.836
flat angles P-C4'-P energy: -28.482
tors. eta vs tors. theta energy: -25.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -201.568244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.568244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.568244 (E_RNA)
where:
Base-Base interactions energy: -79.088
where: short stacking energy: -60.193
Base-Backbone interact. energy: -1.768
local terms energy: -120.711600
where:
bonds (distance) C4'-P energy: -34.830
bonds (distance) P-C4' energy: -44.539
flat angles C4'-P-C4' energy: -26.297
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: 3.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -854.339844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.339844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.339844 (E_RNA)
where:
Base-Base interactions energy: -592.198
where: short stacking energy: -249.302
Base-Backbone interact. energy: -1.032
local terms energy: -261.110580
where:
bonds (distance) C4'-P energy: -47.194
bonds (distance) P-C4' energy: -48.294
flat angles C4'-P-C4' energy: -50.941
flat angles P-C4'-P energy: -41.823
tors. eta vs tors. theta energy: -72.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -821.047802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.047802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.047802 (E_RNA)
where:
Base-Base interactions energy: -572.647
where: short stacking energy: -237.040
Base-Backbone interact. energy: 5.187
local terms energy: -253.586988
where:
bonds (distance) C4'-P energy: -48.497
bonds (distance) P-C4' energy: -48.721
flat angles C4'-P-C4' energy: -53.021
flat angles P-C4'-P energy: -35.226
tors. eta vs tors. theta energy: -68.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -772.685216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.685216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.685216 (E_RNA)
where:
Base-Base interactions energy: -529.828
where: short stacking energy: -227.244
Base-Backbone interact. energy: -1.976
local terms energy: -240.881328
where:
bonds (distance) C4'-P energy: -41.939
bonds (distance) P-C4' energy: -51.835
flat angles C4'-P-C4' energy: -49.617
flat angles P-C4'-P energy: -30.881
tors. eta vs tors. theta energy: -66.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -705.657080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.657080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.657080 (E_RNA)
where:
Base-Base interactions energy: -493.193
where: short stacking energy: -220.074
Base-Backbone interact. energy: -2.930
local terms energy: -209.533925
where:
bonds (distance) C4'-P energy: -34.959
bonds (distance) P-C4' energy: -41.832
flat angles C4'-P-C4' energy: -47.436
flat angles P-C4'-P energy: -32.931
tors. eta vs tors. theta energy: -52.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -695.144133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.144133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.144133 (E_RNA)
where:
Base-Base interactions energy: -484.655
where: short stacking energy: -216.783
Base-Backbone interact. energy: -0.488
local terms energy: -210.001330
where:
bonds (distance) C4'-P energy: -38.785
bonds (distance) P-C4' energy: -43.262
flat angles C4'-P-C4' energy: -43.661
flat angles P-C4'-P energy: -28.958
tors. eta vs tors. theta energy: -55.335
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: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -657.584055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.584055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.584055 (E_RNA)
where:
Base-Base interactions energy: -435.396
where: short stacking energy: -203.020
Base-Backbone interact. energy: 0.216
local terms energy: -222.403450
where:
bonds (distance) C4'-P energy: -46.232
bonds (distance) P-C4' energy: -49.231
flat angles C4'-P-C4' energy: -44.743
flat angles P-C4'-P energy: -28.630
tors. eta vs tors. theta energy: -53.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -553.109414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.109414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.109414 (E_RNA)
where:
Base-Base interactions energy: -361.927
where: short stacking energy: -158.731
Base-Backbone interact. energy: -1.519
local terms energy: -189.663207
where:
bonds (distance) C4'-P energy: -47.367
bonds (distance) P-C4' energy: -46.340
flat angles C4'-P-C4' energy: -30.708
flat angles P-C4'-P energy: -23.145
tors. eta vs tors. theta energy: -42.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -546.789205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.789205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.789205 (E_RNA)
where:
Base-Base interactions energy: -361.192
where: short stacking energy: -168.164
Base-Backbone interact. energy: -0.497
local terms energy: -185.100355
where:
bonds (distance) C4'-P energy: -38.446
bonds (distance) P-C4' energy: -39.401
flat angles C4'-P-C4' energy: -37.236
flat angles P-C4'-P energy: -33.298
tors. eta vs tors. theta energy: -36.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -358.316082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.316082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.316082 (E_RNA)
where:
Base-Base interactions energy: -205.427
where: short stacking energy: -115.656
Base-Backbone interact. energy: -1.269
local terms energy: -151.620577
where:
bonds (distance) C4'-P energy: -29.410
bonds (distance) P-C4' energy: -36.272
flat angles C4'-P-C4' energy: -38.325
flat angles P-C4'-P energy: -29.794
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -207.254490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.254490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.254490 (E_RNA)
where:
Base-Base interactions energy: -76.549
where: short stacking energy: -46.888
Base-Backbone interact. energy: -0.217
local terms energy: -130.487923
where:
bonds (distance) C4'-P energy: -38.724
bonds (distance) P-C4' energy: -40.949
flat angles C4'-P-C4' energy: -40.573
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: 1.716
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: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -846.602923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.602923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.602923 (E_RNA)
where:
Base-Base interactions energy: -591.754
where: short stacking energy: -266.195
Base-Backbone interact. energy: -1.237
local terms energy: -253.611736
where:
bonds (distance) C4'-P energy: -42.291
bonds (distance) P-C4' energy: -46.454
flat angles C4'-P-C4' energy: -56.389
flat angles P-C4'-P energy: -32.837
tors. eta vs tors. theta energy: -75.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -821.474444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.474444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.474444 (E_RNA)
where:
Base-Base interactions energy: -579.438
where: short stacking energy: -246.086
Base-Backbone interact. energy: 0.720
local terms energy: -242.756972
where:
bonds (distance) C4'-P energy: -50.442
bonds (distance) P-C4' energy: -40.301
flat angles C4'-P-C4' energy: -47.184
flat angles P-C4'-P energy: -36.768
tors. eta vs tors. theta energy: -68.061
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: 3, replica: 7
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -783.845170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.845170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.845170 (E_RNA)
where:
Base-Base interactions energy: -539.187
where: short stacking energy: -231.794
Base-Backbone interact. energy: -1.467
local terms energy: -243.190712
where:
bonds (distance) C4'-P energy: -39.734
bonds (distance) P-C4' energy: -47.992
flat angles C4'-P-C4' energy: -52.645
flat angles P-C4'-P energy: -38.899
tors. eta vs tors. theta energy: -63.922
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: 198
Temperature: 1.050000
Total energy: -739.723899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.723899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.723899 (E_RNA)
where:
Base-Base interactions energy: -509.645
where: short stacking energy: -227.718
Base-Backbone interact. energy: -2.310
local terms energy: -227.768460
where:
bonds (distance) C4'-P energy: -41.595
bonds (distance) P-C4' energy: -43.392
flat angles C4'-P-C4' energy: -46.047
flat angles P-C4'-P energy: -33.145
tors. eta vs tors. theta energy: -63.589
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: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -668.166019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.166019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.166019 (E_RNA)
where:
Base-Base interactions energy: -443.458
where: short stacking energy: -196.549
Base-Backbone interact. energy: -1.473
local terms energy: -223.235466
where:
bonds (distance) C4'-P energy: -41.441
bonds (distance) P-C4' energy: -42.667
flat angles C4'-P-C4' energy: -52.960
flat angles P-C4'-P energy: -35.152
tors. eta vs tors. theta energy: -51.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -668.001798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.001798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.001798 (E_RNA)
where:
Base-Base interactions energy: -465.529
where: short stacking energy: -204.176
Base-Backbone interact. energy: -0.468
local terms energy: -202.004930
where:
bonds (distance) C4'-P energy: -36.305
bonds (distance) P-C4' energy: -40.566
flat angles C4'-P-C4' energy: -39.768
flat angles P-C4'-P energy: -30.606
tors. eta vs tors. theta energy: -54.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -572.332625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.332625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.332625 (E_RNA)
where:
Base-Base interactions energy: -382.188
where: short stacking energy: -160.002
Base-Backbone interact. energy: 0.428
local terms energy: -190.572005
where:
bonds (distance) C4'-P energy: -40.214
bonds (distance) P-C4' energy: -42.601
flat angles C4'-P-C4' energy: -38.666
flat angles P-C4'-P energy: -28.176
tors. eta vs tors. theta energy: -40.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -574.182926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.182926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.182926 (E_RNA)
where:
Base-Base interactions energy: -389.424
where: short stacking energy: -146.308
Base-Backbone interact. energy: 0.445
local terms energy: -185.203809
where:
bonds (distance) C4'-P energy: -38.754
bonds (distance) P-C4' energy: -37.723
flat angles C4'-P-C4' energy: -49.289
flat angles P-C4'-P energy: -30.258
tors. eta vs tors. theta energy: -29.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -369.846142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.846142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.846142 (E_RNA)
where:
Base-Base interactions energy: -198.861
where: short stacking energy: -117.604
Base-Backbone interact. energy: -0.350
local terms energy: -170.635248
where:
bonds (distance) C4'-P energy: -42.580
bonds (distance) P-C4' energy: -42.094
flat angles C4'-P-C4' energy: -43.391
flat angles P-C4'-P energy: -20.978
tors. eta vs tors. theta energy: -21.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -221.165597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.165597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.165597 (E_RNA)
where:
Base-Base interactions energy: -101.549
where: short stacking energy: -57.311
Base-Backbone interact. energy: -0.580
local terms energy: -119.036923
where:
bonds (distance) C4'-P energy: -35.564
bonds (distance) P-C4' energy: -46.199
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: 10.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -840.496071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.496071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.496071 (E_RNA)
where:
Base-Base interactions energy: -578.976
where: short stacking energy: -241.181
Base-Backbone interact. energy: -0.851
local terms energy: -260.669063
where:
bonds (distance) C4'-P energy: -51.971
bonds (distance) P-C4' energy: -51.216
flat angles C4'-P-C4' energy: -51.090
flat angles P-C4'-P energy: -32.830
tors. eta vs tors. theta energy: -73.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -806.853237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.853237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.853237 (E_RNA)
where:
Base-Base interactions energy: -556.269
where: short stacking energy: -230.647
Base-Backbone interact. energy: -3.403
local terms energy: -247.181455
where:
bonds (distance) C4'-P energy: -47.689
bonds (distance) P-C4' energy: -46.695
flat angles C4'-P-C4' energy: -49.283
flat angles P-C4'-P energy: -35.099
tors. eta vs tors. theta energy: -68.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -808.166439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.166439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.166439 (E_RNA)
where:
Base-Base interactions energy: -564.874
where: short stacking energy: -242.080
Base-Backbone interact. energy: 4.421
local terms energy: -247.713428
where:
bonds (distance) C4'-P energy: -49.789
bonds (distance) P-C4' energy: -43.005
flat angles C4'-P-C4' energy: -53.341
flat angles P-C4'-P energy: -35.165
tors. eta vs tors. theta energy: -66.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -748.553958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.553958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.553958 (E_RNA)
where:
Base-Base interactions energy: -520.460
where: short stacking energy: -211.901
Base-Backbone interact. energy: 2.135
local terms energy: -230.228837
where:
bonds (distance) C4'-P energy: -40.124
bonds (distance) P-C4' energy: -44.588
flat angles C4'-P-C4' energy: -52.177
flat angles P-C4'-P energy: -35.058
tors. eta vs tors. theta energy: -58.282
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: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -698.766956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.766956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.766956 (E_RNA)
where:
Base-Base interactions energy: -491.471
where: short stacking energy: -221.044
Base-Backbone interact. energy: -0.783
local terms energy: -206.513059
where:
bonds (distance) C4'-P energy: -36.253
bonds (distance) P-C4' energy: -40.077
flat angles C4'-P-C4' energy: -51.226
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: -52.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -676.781772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.781772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.781772 (E_RNA)
where:
Base-Base interactions energy: -467.473
where: short stacking energy: -200.624
Base-Backbone interact. energy: -0.088
local terms energy: -209.220462
where:
bonds (distance) C4'-P energy: -48.668
bonds (distance) P-C4' energy: -33.039
flat angles C4'-P-C4' energy: -43.508
flat angles P-C4'-P energy: -28.448
tors. eta vs tors. theta energy: -55.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -585.644143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.644143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.644143 (E_RNA)
where:
Base-Base interactions energy: -403.745
where: short stacking energy: -157.231
Base-Backbone interact. energy: -1.873
local terms energy: -180.025956
where:
bonds (distance) C4'-P energy: -41.049
bonds (distance) P-C4' energy: -35.527
flat angles C4'-P-C4' energy: -41.262
flat angles P-C4'-P energy: -27.382
tors. eta vs tors. theta energy: -34.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -545.838117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.838117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.838117 (E_RNA)
where:
Base-Base interactions energy: -371.291
where: short stacking energy: -145.885
Base-Backbone interact. energy: -2.085
local terms energy: -172.462858
where:
bonds (distance) C4'-P energy: -29.233
bonds (distance) P-C4' energy: -43.986
flat angles C4'-P-C4' energy: -45.573
flat angles P-C4'-P energy: -21.564
tors. eta vs tors. theta energy: -32.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -428.390326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.390326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.390326 (E_RNA)
where:
Base-Base interactions energy: -234.731
where: short stacking energy: -125.130
Base-Backbone interact. energy: -1.375
local terms energy: -192.284138
where:
bonds (distance) C4'-P energy: -46.533
bonds (distance) P-C4' energy: -38.848
flat angles C4'-P-C4' energy: -46.925
flat angles P-C4'-P energy: -28.174
tors. eta vs tors. theta energy: -31.804
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: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -207.484321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.484321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.484321 (E_RNA)
where:
Base-Base interactions energy: -77.017
where: short stacking energy: -68.513
Base-Backbone interact. energy: 1.266
local terms energy: -131.732633
where:
bonds (distance) C4'-P energy: -43.489
bonds (distance) P-C4' energy: -39.415
flat angles C4'-P-C4' energy: -27.804
flat angles P-C4'-P energy: -26.265
tors. eta vs tors. theta energy: 5.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -830.194972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.194972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.194972 (E_RNA)
where:
Base-Base interactions energy: -574.616
where: short stacking energy: -235.891
Base-Backbone interact. energy: -1.132
local terms energy: -254.447583
where:
bonds (distance) C4'-P energy: -53.837
bonds (distance) P-C4' energy: -41.511
flat angles C4'-P-C4' energy: -51.660
flat angles P-C4'-P energy: -43.287
tors. eta vs tors. theta energy: -64.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -837.098570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.098570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.098570 (E_RNA)
where:
Base-Base interactions energy: -583.248
where: short stacking energy: -260.687
Base-Backbone interact. energy: 0.368
local terms energy: -254.219110
where:
bonds (distance) C4'-P energy: -41.350
bonds (distance) P-C4' energy: -45.761
flat angles C4'-P-C4' energy: -54.241
flat angles P-C4'-P energy: -35.710
tors. eta vs tors. theta energy: -77.157
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: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -789.049400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.049400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.049400 (E_RNA)
where:
Base-Base interactions energy: -547.219
where: short stacking energy: -238.341
Base-Backbone interact. energy: -1.019
local terms energy: -240.811330
where:
bonds (distance) C4'-P energy: -44.115
bonds (distance) P-C4' energy: -43.497
flat angles C4'-P-C4' energy: -52.116
flat angles P-C4'-P energy: -34.777
tors. eta vs tors. theta energy: -66.306
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: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -746.293568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.293568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.293568 (E_RNA)
where:
Base-Base interactions energy: -513.232
where: short stacking energy: -206.624
Base-Backbone interact. energy: -1.157
local terms energy: -231.904898
where:
bonds (distance) C4'-P energy: -47.459
bonds (distance) P-C4' energy: -43.714
flat angles C4'-P-C4' energy: -51.099
flat angles P-C4'-P energy: -33.518
tors. eta vs tors. theta energy: -56.115
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: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -677.924882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.924882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.924882 (E_RNA)
where:
Base-Base interactions energy: -468.649
where: short stacking energy: -204.081
Base-Backbone interact. energy: 0.037
local terms energy: -209.313285
where:
bonds (distance) C4'-P energy: -39.347
bonds (distance) P-C4' energy: -35.631
flat angles C4'-P-C4' energy: -46.473
flat angles P-C4'-P energy: -34.025
tors. eta vs tors. theta energy: -53.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -686.362060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.362060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.362060 (E_RNA)
where:
Base-Base interactions energy: -473.324
where: short stacking energy: -213.957
Base-Backbone interact. energy: -0.807
local terms energy: -212.231169
where:
bonds (distance) C4'-P energy: -38.565
bonds (distance) P-C4' energy: -44.006
flat angles C4'-P-C4' energy: -44.272
flat angles P-C4'-P energy: -29.695
tors. eta vs tors. theta energy: -55.694
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: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -608.983449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.983449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.983449 (E_RNA)
where:
Base-Base interactions energy: -405.589
where: short stacking energy: -172.165
Base-Backbone interact. energy: -0.785
local terms energy: -202.610384
where:
bonds (distance) C4'-P energy: -39.066
bonds (distance) P-C4' energy: -42.366
flat angles C4'-P-C4' energy: -43.505
flat angles P-C4'-P energy: -30.383
tors. eta vs tors. theta energy: -47.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -534.486229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.486229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.486229 (E_RNA)
where:
Base-Base interactions energy: -351.975
where: short stacking energy: -150.006
Base-Backbone interact. energy: -0.406
local terms energy: -182.105976
where:
bonds (distance) C4'-P energy: -42.481
bonds (distance) P-C4' energy: -37.244
flat angles C4'-P-C4' energy: -47.471
flat angles P-C4'-P energy: -23.202
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: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -394.364382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.364382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.364382 (E_RNA)
where:
Base-Base interactions energy: -223.170
where: short stacking energy: -121.202
Base-Backbone interact. energy: 0.838
local terms energy: -172.032573
where:
bonds (distance) C4'-P energy: -42.818
bonds (distance) P-C4' energy: -42.264
flat angles C4'-P-C4' energy: -41.202
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -27.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -250.489940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.489940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.489940 (E_RNA)
where:
Base-Base interactions energy: -126.063
where: short stacking energy: -79.280
Base-Backbone interact. energy: -0.642
local terms energy: -123.785372
where:
bonds (distance) C4'-P energy: -37.953
bonds (distance) P-C4' energy: -47.945
flat angles C4'-P-C4' energy: -35.574
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: 10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -818.149934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.149934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.149934 (E_RNA)
where:
Base-Base interactions energy: -565.813
where: short stacking energy: -234.088
Base-Backbone interact. energy: -0.969
local terms energy: -251.367798
where:
bonds (distance) C4'-P energy: -47.547
bonds (distance) P-C4' energy: -48.676
flat angles C4'-P-C4' energy: -50.009
flat angles P-C4'-P energy: -38.032
tors. eta vs tors. theta energy: -67.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -838.066511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.066511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.066511 (E_RNA)
where:
Base-Base interactions energy: -578.561
where: short stacking energy: -243.039
Base-Backbone interact. energy: -1.859
local terms energy: -257.646142
where:
bonds (distance) C4'-P energy: -48.171
bonds (distance) P-C4' energy: -47.696
flat angles C4'-P-C4' energy: -51.646
flat angles P-C4'-P energy: -33.041
tors. eta vs tors. theta energy: -77.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -785.199434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.199434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.199434 (E_RNA)
where:
Base-Base interactions energy: -546.504
where: short stacking energy: -235.022
Base-Backbone interact. energy: -0.059
local terms energy: -238.636701
where:
bonds (distance) C4'-P energy: -42.900
bonds (distance) P-C4' energy: -48.027
flat angles C4'-P-C4' energy: -53.400
flat angles P-C4'-P energy: -28.202
tors. eta vs tors. theta energy: -66.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -772.476355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.476355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.476355 (E_RNA)
where:
Base-Base interactions energy: -540.837
where: short stacking energy: -236.508
Base-Backbone interact. energy: 0.581
local terms energy: -232.220392
where:
bonds (distance) C4'-P energy: -40.255
bonds (distance) P-C4' energy: -35.822
flat angles C4'-P-C4' energy: -46.786
flat angles P-C4'-P energy: -40.338
tors. eta vs tors. theta energy: -69.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -695.703771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.703771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.703771 (E_RNA)
where:
Base-Base interactions energy: -483.700
where: short stacking energy: -219.194
Base-Backbone interact. energy: -0.876
local terms energy: -211.127314
where:
bonds (distance) C4'-P energy: -39.279
bonds (distance) P-C4' energy: -45.362
flat angles C4'-P-C4' energy: -42.620
flat angles P-C4'-P energy: -25.689
tors. eta vs tors. theta energy: -58.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -664.340124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.340124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.340124 (E_RNA)
where:
Base-Base interactions energy: -440.698
where: short stacking energy: -197.075
Base-Backbone interact. energy: -0.403
local terms energy: -223.238913
where:
bonds (distance) C4'-P energy: -47.096
bonds (distance) P-C4' energy: -52.627
flat angles C4'-P-C4' energy: -45.307
flat angles P-C4'-P energy: -28.154
tors. eta vs tors. theta energy: -50.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -603.221292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.221292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.221292 (E_RNA)
where:
Base-Base interactions energy: -419.906
where: short stacking energy: -177.023
Base-Backbone interact. energy: -0.505
local terms energy: -182.811033
where:
bonds (distance) C4'-P energy: -29.300
bonds (distance) P-C4' energy: -44.088
flat angles C4'-P-C4' energy: -39.745
flat angles P-C4'-P energy: -28.849
tors. eta vs tors. theta energy: -40.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -517.940253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.940253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.940253 (E_RNA)
where:
Base-Base interactions energy: -350.306
where: short stacking energy: -139.470
Base-Backbone interact. energy: -2.696
local terms energy: -164.938385
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -35.902
flat angles C4'-P-C4' energy: -42.644
flat angles P-C4'-P energy: -26.471
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: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -386.070237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.070237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.070237 (E_RNA)
where:
Base-Base interactions energy: -200.100
where: short stacking energy: -113.947
Base-Backbone interact. energy: 0.477
local terms energy: -186.447490
where:
bonds (distance) C4'-P energy: -44.180
bonds (distance) P-C4' energy: -43.466
flat angles C4'-P-C4' energy: -44.816
flat angles P-C4'-P energy: -26.300
tors. eta vs tors. theta energy: -27.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -273.125902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.125902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.125902 (E_RNA)
where:
Base-Base interactions energy: -141.284
where: short stacking energy: -73.472
Base-Backbone interact. energy: 0.540
local terms energy: -132.382470
where:
bonds (distance) C4'-P energy: -41.100
bonds (distance) P-C4' energy: -36.629
flat angles C4'-P-C4' energy: -36.145
flat angles P-C4'-P energy: -21.705
tors. eta vs tors. theta energy: 3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -843.747205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.747205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.747205 (E_RNA)
where:
Base-Base interactions energy: -590.234
where: short stacking energy: -254.011
Base-Backbone interact. energy: -0.767
local terms energy: -252.745769
where:
bonds (distance) C4'-P energy: -48.276
bonds (distance) P-C4' energy: -36.950
flat angles C4'-P-C4' energy: -51.153
flat angles P-C4'-P energy: -36.325
tors. eta vs tors. theta energy: -80.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -810.435663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.435663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.435663 (E_RNA)
where:
Base-Base interactions energy: -575.219
where: short stacking energy: -230.995
Base-Backbone interact. energy: -0.250
local terms energy: -234.966928
where:
bonds (distance) C4'-P energy: -43.891
bonds (distance) P-C4' energy: -49.753
flat angles C4'-P-C4' energy: -48.025
flat angles P-C4'-P energy: -31.582
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: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -793.398320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.398320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.398320 (E_RNA)
where:
Base-Base interactions energy: -550.976
where: short stacking energy: -245.366
Base-Backbone interact. energy: -0.453
local terms energy: -241.969827
where:
bonds (distance) C4'-P energy: -46.503
bonds (distance) P-C4' energy: -44.384
flat angles C4'-P-C4' energy: -48.274
flat angles P-C4'-P energy: -32.873
tors. eta vs tors. theta energy: -69.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -784.570294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.570294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.570294 (E_RNA)
where:
Base-Base interactions energy: -549.291
where: short stacking energy: -222.946
Base-Backbone interact. energy: -1.321
local terms energy: -233.958174
where:
bonds (distance) C4'-P energy: -44.634
bonds (distance) P-C4' energy: -38.433
flat angles C4'-P-C4' energy: -51.857
flat angles P-C4'-P energy: -31.826
tors. eta vs tors. theta energy: -67.209
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: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -695.532866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.532866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.532866 (E_RNA)
where:
Base-Base interactions energy: -468.993
where: short stacking energy: -217.998
Base-Backbone interact. energy: 0.942
local terms energy: -227.481798
where:
bonds (distance) C4'-P energy: -42.081
bonds (distance) P-C4' energy: -43.862
flat angles C4'-P-C4' energy: -49.826
flat angles P-C4'-P energy: -31.898
tors. eta vs tors. theta energy: -59.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -676.488371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.488371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.488371 (E_RNA)
where:
Base-Base interactions energy: -465.046
where: short stacking energy: -203.355
Base-Backbone interact. energy: -0.053
local terms energy: -211.389346
where:
bonds (distance) C4'-P energy: -38.628
bonds (distance) P-C4' energy: -42.201
flat angles C4'-P-C4' energy: -46.366
flat angles P-C4'-P energy: -30.699
tors. eta vs tors. theta energy: -53.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -608.667085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.667085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.667085 (E_RNA)
where:
Base-Base interactions energy: -428.887
where: short stacking energy: -166.819
Base-Backbone interact. energy: 2.502
local terms energy: -182.281816
where:
bonds (distance) C4'-P energy: -37.113
bonds (distance) P-C4' energy: -50.580
flat angles C4'-P-C4' energy: -44.412
flat angles P-C4'-P energy: -19.910
tors. eta vs tors. theta energy: -30.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -593.123796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.123796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.123796 (E_RNA)
where:
Base-Base interactions energy: -395.102
where: short stacking energy: -168.947
Base-Backbone interact. energy: -1.150
local terms energy: -196.872063
where:
bonds (distance) C4'-P energy: -39.391
bonds (distance) P-C4' energy: -43.310
flat angles C4'-P-C4' energy: -48.934
flat angles P-C4'-P energy: -19.962
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: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -380.422126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.422126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.422126 (E_RNA)
where:
Base-Base interactions energy: -209.036
where: short stacking energy: -103.893
Base-Backbone interact. energy: -0.228
local terms energy: -171.157409
where:
bonds (distance) C4'-P energy: -42.955
bonds (distance) P-C4' energy: -41.864
flat angles C4'-P-C4' energy: -38.457
flat angles P-C4'-P energy: -25.000
tors. eta vs tors. theta energy: -22.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -277.399883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.399883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.399883 (E_RNA)
where:
Base-Base interactions energy: -124.404
where: short stacking energy: -81.255
Base-Backbone interact. energy: 0.049
local terms energy: -153.045244
where:
bonds (distance) C4'-P energy: -39.310
bonds (distance) P-C4' energy: -46.156
flat angles C4'-P-C4' energy: -40.747
flat angles P-C4'-P energy: -25.607
tors. eta vs tors. theta energy: -1.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -848.407277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.407277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.407277 (E_RNA)
where:
Base-Base interactions energy: -584.091
where: short stacking energy: -246.125
Base-Backbone interact. energy: -0.471
local terms energy: -263.845692
where:
bonds (distance) C4'-P energy: -48.132
bonds (distance) P-C4' energy: -53.340
flat angles C4'-P-C4' energy: -49.198
flat angles P-C4'-P energy: -35.530
tors. eta vs tors. theta energy: -77.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -809.512117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.512117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.512117 (E_RNA)
where:
Base-Base interactions energy: -562.870
where: short stacking energy: -233.945
Base-Backbone interact. energy: -1.380
local terms energy: -245.261863
where:
bonds (distance) C4'-P energy: -46.837
bonds (distance) P-C4' energy: -47.400
flat angles C4'-P-C4' energy: -47.689
flat angles P-C4'-P energy: -36.938
tors. eta vs tors. theta energy: -66.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -798.567587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.567587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.567587 (E_RNA)
where:
Base-Base interactions energy: -551.567
where: short stacking energy: -222.039
Base-Backbone interact. energy: -2.013
local terms energy: -244.987792
where:
bonds (distance) C4'-P energy: -44.997
bonds (distance) P-C4' energy: -44.446
flat angles C4'-P-C4' energy: -49.924
flat angles P-C4'-P energy: -35.884
tors. eta vs tors. theta energy: -69.737
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: 8
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -780.046580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.046580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.046580 (E_RNA)
where:
Base-Base interactions energy: -553.693
where: short stacking energy: -232.926
Base-Backbone interact. energy: -0.832
local terms energy: -225.521612
where:
bonds (distance) C4'-P energy: -45.601
bonds (distance) P-C4' energy: -37.091
flat angles C4'-P-C4' energy: -49.921
flat angles P-C4'-P energy: -25.659
tors. eta vs tors. theta energy: -67.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -660.315307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.315307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.315307 (E_RNA)
where:
Base-Base interactions energy: -451.399
where: short stacking energy: -200.338
Base-Backbone interact. energy: -1.076
local terms energy: -207.839809
where:
bonds (distance) C4'-P energy: -33.420
bonds (distance) P-C4' energy: -41.485
flat angles C4'-P-C4' energy: -48.820
flat angles P-C4'-P energy: -28.381
tors. eta vs tors. theta energy: -55.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -666.373635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.373635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.373635 (E_RNA)
where:
Base-Base interactions energy: -439.092
where: short stacking energy: -195.280
Base-Backbone interact. energy: -1.669
local terms energy: -225.612763
where:
bonds (distance) C4'-P energy: -41.626
bonds (distance) P-C4' energy: -45.839
flat angles C4'-P-C4' energy: -54.047
flat angles P-C4'-P energy: -29.466
tors. eta vs tors. theta energy: -54.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -634.287747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.287747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.287747 (E_RNA)
where:
Base-Base interactions energy: -428.247
where: short stacking energy: -186.730
Base-Backbone interact. energy: -0.374
local terms energy: -205.666699
where:
bonds (distance) C4'-P energy: -37.631
bonds (distance) P-C4' energy: -38.228
flat angles C4'-P-C4' energy: -46.792
flat angles P-C4'-P energy: -34.426
tors. eta vs tors. theta energy: -48.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -572.157154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.157154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.157154 (E_RNA)
where:
Base-Base interactions energy: -399.603
where: short stacking energy: -168.846
Base-Backbone interact. energy: -1.079
local terms energy: -171.474884
where:
bonds (distance) C4'-P energy: -46.043
bonds (distance) P-C4' energy: -37.555
flat angles C4'-P-C4' energy: -41.334
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -35.819
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: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -337.277341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.277341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.277341 (E_RNA)
where:
Base-Base interactions energy: -174.232
where: short stacking energy: -107.867
Base-Backbone interact. energy: 1.247
local terms energy: -164.292204
where:
bonds (distance) C4'-P energy: -30.311
bonds (distance) P-C4' energy: -43.975
flat angles C4'-P-C4' energy: -47.464
flat angles P-C4'-P energy: -29.440
tors. eta vs tors. theta energy: -13.102
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: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -273.682231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.682231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.682231 (E_RNA)
where:
Base-Base interactions energy: -133.593
where: short stacking energy: -76.863
Base-Backbone interact. energy: 1.877
local terms energy: -141.965734
where:
bonds (distance) C4'-P energy: -46.633
bonds (distance) P-C4' energy: -32.853
flat angles C4'-P-C4' energy: -43.797
flat angles P-C4'-P energy: -23.408
tors. eta vs tors. theta energy: 4.726
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: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -852.525808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.525808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.525808 (E_RNA)
where:
Base-Base interactions energy: -598.288
where: short stacking energy: -253.519
Base-Backbone interact. energy: 0.989
local terms energy: -255.226458
where:
bonds (distance) C4'-P energy: -50.758
bonds (distance) P-C4' energy: -41.924
flat angles C4'-P-C4' energy: -49.629
flat angles P-C4'-P energy: -34.943
tors. eta vs tors. theta energy: -77.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -809.129112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.129112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.129112 (E_RNA)
where:
Base-Base interactions energy: -558.915
where: short stacking energy: -237.827
Base-Backbone interact. energy: -0.997
local terms energy: -249.217728
where:
bonds (distance) C4'-P energy: -46.864
bonds (distance) P-C4' energy: -48.085
flat angles C4'-P-C4' energy: -55.361
flat angles P-C4'-P energy: -30.852
tors. eta vs tors. theta energy: -68.055
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: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -796.462429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.462429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.462429 (E_RNA)
where:
Base-Base interactions energy: -557.161
where: short stacking energy: -242.124
Base-Backbone interact. energy: -0.452
local terms energy: -238.849679
where:
bonds (distance) C4'-P energy: -42.935
bonds (distance) P-C4' energy: -41.059
flat angles C4'-P-C4' energy: -50.260
flat angles P-C4'-P energy: -38.801
tors. eta vs tors. theta energy: -65.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -759.981174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.981174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.981174 (E_RNA)
where:
Base-Base interactions energy: -528.517
where: short stacking energy: -229.295
Base-Backbone interact. energy: -2.267
local terms energy: -229.196564
where:
bonds (distance) C4'-P energy: -37.731
bonds (distance) P-C4' energy: -48.583
flat angles C4'-P-C4' energy: -45.461
flat angles P-C4'-P energy: -33.359
tors. eta vs tors. theta energy: -64.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -666.343492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.343492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.343492 (E_RNA)
where:
Base-Base interactions energy: -444.852
where: short stacking energy: -193.176
Base-Backbone interact. energy: -0.995
local terms energy: -220.496569
where:
bonds (distance) C4'-P energy: -34.893
bonds (distance) P-C4' energy: -44.391
flat angles C4'-P-C4' energy: -42.630
flat angles P-C4'-P energy: -36.758
tors. eta vs tors. theta energy: -61.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -659.928297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.928297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.928297 (E_RNA)
where:
Base-Base interactions energy: -437.087
where: short stacking energy: -188.716
Base-Backbone interact. energy: -0.095
local terms energy: -222.746570
where:
bonds (distance) C4'-P energy: -39.495
bonds (distance) P-C4' energy: -46.292
flat angles C4'-P-C4' energy: -52.580
flat angles P-C4'-P energy: -32.051
tors. eta vs tors. theta energy: -52.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -588.982594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.982594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.982594 (E_RNA)
where:
Base-Base interactions energy: -409.248
where: short stacking energy: -189.383
Base-Backbone interact. energy: -0.949
local terms energy: -178.786386
where:
bonds (distance) C4'-P energy: -33.804
bonds (distance) P-C4' energy: -42.061
flat angles C4'-P-C4' energy: -35.922
flat angles P-C4'-P energy: -23.263
tors. eta vs tors. theta energy: -43.736
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: 2
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -629.040084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.040084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.040084 (E_RNA)
where:
Base-Base interactions energy: -428.871
where: short stacking energy: -189.265
Base-Backbone interact. energy: -0.413
local terms energy: -199.756528
where:
bonds (distance) C4'-P energy: -36.203
bonds (distance) P-C4' energy: -43.921
flat angles C4'-P-C4' energy: -48.012
flat angles P-C4'-P energy: -29.652
tors. eta vs tors. theta energy: -41.970
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: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -334.952517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.952517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.952517 (E_RNA)
where:
Base-Base interactions energy: -187.534
where: short stacking energy: -97.482
Base-Backbone interact. energy: 0.468
local terms energy: -147.886226
where:
bonds (distance) C4'-P energy: -40.479
bonds (distance) P-C4' energy: -40.605
flat angles C4'-P-C4' energy: -35.982
flat angles P-C4'-P energy: -19.991
tors. eta vs tors. theta energy: -10.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -313.478804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.478804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.478804 (E_RNA)
where:
Base-Base interactions energy: -166.927
where: short stacking energy: -93.563
Base-Backbone interact. energy: -0.564
local terms energy: -145.987285
where:
bonds (distance) C4'-P energy: -35.604
bonds (distance) P-C4' energy: -40.910
flat angles C4'-P-C4' energy: -30.113
flat angles P-C4'-P energy: -29.290
tors. eta vs tors. theta energy: -10.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -848.576816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.576816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.576816 (E_RNA)
where:
Base-Base interactions energy: -590.241
where: short stacking energy: -255.589
Base-Backbone interact. energy: -0.807
local terms energy: -257.528625
where:
bonds (distance) C4'-P energy: -46.349
bonds (distance) P-C4' energy: -45.577
flat angles C4'-P-C4' energy: -54.996
flat angles P-C4'-P energy: -30.777
tors. eta vs tors. theta energy: -79.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -816.379960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.379960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.379960 (E_RNA)
where:
Base-Base interactions energy: -577.447
where: short stacking energy: -246.697
Base-Backbone interact. energy: -0.490
local terms energy: -238.443265
where:
bonds (distance) C4'-P energy: -44.173
bonds (distance) P-C4' energy: -46.108
flat angles C4'-P-C4' energy: -51.735
flat angles P-C4'-P energy: -33.718
tors. eta vs tors. theta energy: -62.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -802.335045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.335045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.335045 (E_RNA)
where:
Base-Base interactions energy: -547.182
where: short stacking energy: -225.600
Base-Backbone interact. energy: -0.914
local terms energy: -254.239011
where:
bonds (distance) C4'-P energy: -47.494
bonds (distance) P-C4' energy: -43.147
flat angles C4'-P-C4' energy: -55.732
flat angles P-C4'-P energy: -42.408
tors. eta vs tors. theta energy: -65.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -767.751262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.751262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.751262 (E_RNA)
where:
Base-Base interactions energy: -520.065
where: short stacking energy: -224.055
Base-Backbone interact. energy: 1.789
local terms energy: -249.474730
where:
bonds (distance) C4'-P energy: -49.277
bonds (distance) P-C4' energy: -48.004
flat angles C4'-P-C4' energy: -50.570
flat angles P-C4'-P energy: -39.733
tors. eta vs tors. theta energy: -61.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -688.425732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.425732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.425732 (E_RNA)
where:
Base-Base interactions energy: -465.691
where: short stacking energy: -217.106
Base-Backbone interact. energy: 0.243
local terms energy: -222.977463
where:
bonds (distance) C4'-P energy: -33.980
bonds (distance) P-C4' energy: -40.221
flat angles C4'-P-C4' energy: -48.251
flat angles P-C4'-P energy: -38.693
tors. eta vs tors. theta energy: -61.832
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: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -660.495048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.495048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.495048 (E_RNA)
where:
Base-Base interactions energy: -450.274
where: short stacking energy: -190.523
Base-Backbone interact. energy: -0.845
local terms energy: -209.376093
where:
bonds (distance) C4'-P energy: -44.464
bonds (distance) P-C4' energy: -36.949
flat angles C4'-P-C4' energy: -50.478
flat angles P-C4'-P energy: -25.372
tors. eta vs tors. theta energy: -52.113
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: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -592.885525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.885525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.885525 (E_RNA)
where:
Base-Base interactions energy: -399.152
where: short stacking energy: -184.055
Base-Backbone interact. energy: -0.826
local terms energy: -192.907131
where:
bonds (distance) C4'-P energy: -40.459
bonds (distance) P-C4' energy: -33.050
flat angles C4'-P-C4' energy: -46.564
flat angles P-C4'-P energy: -30.105
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: 8, replica: 2
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -570.811557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.811557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.811557 (E_RNA)
where:
Base-Base interactions energy: -384.263
where: short stacking energy: -154.516
Base-Backbone interact. energy: -1.247
local terms energy: -185.301266
where:
bonds (distance) C4'-P energy: -42.471
bonds (distance) P-C4' energy: -36.093
flat angles C4'-P-C4' energy: -44.910
flat angles P-C4'-P energy: -28.797
tors. eta vs tors. theta energy: -33.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -344.345699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.345699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.345699 (E_RNA)
where:
Base-Base interactions energy: -186.286
where: short stacking energy: -114.283
Base-Backbone interact. energy: -1.663
local terms energy: -156.396073
where:
bonds (distance) C4'-P energy: -42.007
bonds (distance) P-C4' energy: -42.932
flat angles C4'-P-C4' energy: -35.251
flat angles P-C4'-P energy: -23.501
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -313.843477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.843477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.843477 (E_RNA)
where:
Base-Base interactions energy: -175.659
where: short stacking energy: -85.560
Base-Backbone interact. energy: -1.889
local terms energy: -136.295325
where:
bonds (distance) C4'-P energy: -36.943
bonds (distance) P-C4' energy: -38.230
flat angles C4'-P-C4' energy: -35.347
flat angles P-C4'-P energy: -23.698
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -844.153384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.153384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.153384 (E_RNA)
where:
Base-Base interactions energy: -586.971
where: short stacking energy: -264.362
Base-Backbone interact. energy: -0.365
local terms energy: -256.817785
where:
bonds (distance) C4'-P energy: -45.421
bonds (distance) P-C4' energy: -47.102
flat angles C4'-P-C4' energy: -54.946
flat angles P-C4'-P energy: -32.141
tors. eta vs tors. theta energy: -77.207
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: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -824.492682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.492682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.492682 (E_RNA)
where:
Base-Base interactions energy: -582.831
where: short stacking energy: -226.507
Base-Backbone interact. energy: -1.125
local terms energy: -240.536650
where:
bonds (distance) C4'-P energy: -44.490
bonds (distance) P-C4' energy: -49.522
flat angles C4'-P-C4' energy: -50.442
flat angles P-C4'-P energy: -33.357
tors. eta vs tors. theta energy: -62.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -772.924293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.924293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.924293 (E_RNA)
where:
Base-Base interactions energy: -536.885
where: short stacking energy: -232.341
Base-Backbone interact. energy: -0.488
local terms energy: -235.550690
where:
bonds (distance) C4'-P energy: -46.716
bonds (distance) P-C4' energy: -49.547
flat angles C4'-P-C4' energy: -47.982
flat angles P-C4'-P energy: -31.383
tors. eta vs tors. theta energy: -59.922
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: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -764.300498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.300498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.300498 (E_RNA)
where:
Base-Base interactions energy: -544.066
where: short stacking energy: -222.077
Base-Backbone interact. energy: -0.673
local terms energy: -219.561670
where:
bonds (distance) C4'-P energy: -39.204
bonds (distance) P-C4' energy: -41.926
flat angles C4'-P-C4' energy: -45.804
flat angles P-C4'-P energy: -31.436
tors. eta vs tors. theta energy: -61.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -663.082940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.082940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.082940 (E_RNA)
where:
Base-Base interactions energy: -442.690
where: short stacking energy: -213.952
Base-Backbone interact. energy: -0.689
local terms energy: -219.703399
where:
bonds (distance) C4'-P energy: -37.372
bonds (distance) P-C4' energy: -42.150
flat angles C4'-P-C4' energy: -55.382
flat angles P-C4'-P energy: -29.406
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: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -651.537047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.537047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.537047 (E_RNA)
where:
Base-Base interactions energy: -445.444
where: short stacking energy: -190.485
Base-Backbone interact. energy: -0.526
local terms energy: -205.566989
where:
bonds (distance) C4'-P energy: -43.370
bonds (distance) P-C4' energy: -41.129
flat angles C4'-P-C4' energy: -40.769
flat angles P-C4'-P energy: -31.573
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: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -596.459051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.459051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.459051 (E_RNA)
where:
Base-Base interactions energy: -398.812
where: short stacking energy: -166.410
Base-Backbone interact. energy: -0.531
local terms energy: -197.116213
where:
bonds (distance) C4'-P energy: -45.040
bonds (distance) P-C4' energy: -42.937
flat angles C4'-P-C4' energy: -44.742
flat angles P-C4'-P energy: -28.871
tors. eta vs tors. theta energy: -35.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -550.003786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.003786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.003786 (E_RNA)
where:
Base-Base interactions energy: -370.506
where: short stacking energy: -159.767
Base-Backbone interact. energy: -1.293
local terms energy: -178.204461
where:
bonds (distance) C4'-P energy: -24.749
bonds (distance) P-C4' energy: -42.686
flat angles C4'-P-C4' energy: -40.284
flat angles P-C4'-P energy: -33.988
tors. eta vs tors. theta energy: -36.498
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: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -386.283017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.283017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.283017 (E_RNA)
where:
Base-Base interactions energy: -232.373
where: short stacking energy: -109.586
Base-Backbone interact. energy: -0.586
local terms energy: -153.324323
where:
bonds (distance) C4'-P energy: -42.358
bonds (distance) P-C4' energy: -40.302
flat angles C4'-P-C4' energy: -35.287
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -328.310788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.310788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.310788 (E_RNA)
where:
Base-Base interactions energy: -170.358
where: short stacking energy: -99.711
Base-Backbone interact. energy: 0.320
local terms energy: -158.272645
where:
bonds (distance) C4'-P energy: -30.789
bonds (distance) P-C4' energy: -46.801
flat angles C4'-P-C4' energy: -33.361
flat angles P-C4'-P energy: -31.490
tors. eta vs tors. theta energy: -15.832
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: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -845.554807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.554807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.554807 (E_RNA)
where:
Base-Base interactions energy: -582.691
where: short stacking energy: -252.857
Base-Backbone interact. energy: -0.723
local terms energy: -262.140577
where:
bonds (distance) C4'-P energy: -47.285
bonds (distance) P-C4' energy: -46.807
flat angles C4'-P-C4' energy: -53.103
flat angles P-C4'-P energy: -39.215
tors. eta vs tors. theta energy: -75.731
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: 2, replica: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -827.295352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.295352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.295352 (E_RNA)
where:
Base-Base interactions energy: -595.118
where: short stacking energy: -252.815
Base-Backbone interact. energy: -1.719
local terms energy: -230.458339
where:
bonds (distance) C4'-P energy: -43.927
bonds (distance) P-C4' energy: -37.505
flat angles C4'-P-C4' energy: -46.900
flat angles P-C4'-P energy: -35.486
tors. eta vs tors. theta energy: -66.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -782.903438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.903438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.903438 (E_RNA)
where:
Base-Base interactions energy: -542.350
where: short stacking energy: -221.548
Base-Backbone interact. energy: -0.566
local terms energy: -239.987551
where:
bonds (distance) C4'-P energy: -45.607
bonds (distance) P-C4' energy: -51.910
flat angles C4'-P-C4' energy: -48.335
flat angles P-C4'-P energy: -31.941
tors. eta vs tors. theta energy: -62.195
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: 7
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -755.152092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.152092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.152092 (E_RNA)
where:
Base-Base interactions energy: -532.890
where: short stacking energy: -215.745
Base-Backbone interact. energy: -1.010
local terms energy: -221.252416
where:
bonds (distance) C4'-P energy: -48.503
bonds (distance) P-C4' energy: -37.008
flat angles C4'-P-C4' energy: -44.919
flat angles P-C4'-P energy: -31.555
tors. eta vs tors. theta energy: -59.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -660.315681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.315681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.315681 (E_RNA)
where:
Base-Base interactions energy: -445.897
where: short stacking energy: -195.345
Base-Backbone interact. energy: -0.057
local terms energy: -214.361198
where:
bonds (distance) C4'-P energy: -35.627
bonds (distance) P-C4' energy: -45.398
flat angles C4'-P-C4' energy: -45.708
flat angles P-C4'-P energy: -33.186
tors. eta vs tors. theta energy: -54.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -680.282277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.282277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.282277 (E_RNA)
where:
Base-Base interactions energy: -460.861
where: short stacking energy: -206.108
Base-Backbone interact. energy: 1.215
local terms energy: -220.636467
where:
bonds (distance) C4'-P energy: -44.168
bonds (distance) P-C4' energy: -46.905
flat angles C4'-P-C4' energy: -46.501
flat angles P-C4'-P energy: -24.719
tors. eta vs tors. theta energy: -58.344
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: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -622.977451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.977451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.977451 (E_RNA)
where:
Base-Base interactions energy: -410.880
where: short stacking energy: -188.894
Base-Backbone interact. energy: -3.275
local terms energy: -208.823184
where:
bonds (distance) C4'-P energy: -39.190
bonds (distance) P-C4' energy: -38.550
flat angles C4'-P-C4' energy: -52.339
flat angles P-C4'-P energy: -35.573
tors. eta vs tors. theta energy: -43.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -541.728245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.728245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.728245 (E_RNA)
where:
Base-Base interactions energy: -359.385
where: short stacking energy: -166.199
Base-Backbone interact. energy: 1.365
local terms energy: -183.708342
where:
bonds (distance) C4'-P energy: -30.504
bonds (distance) P-C4' energy: -47.652
flat angles C4'-P-C4' energy: -42.447
flat angles P-C4'-P energy: -26.624
tors. eta vs tors. theta energy: -36.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -345.950915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.950915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.950915 (E_RNA)
where:
Base-Base interactions energy: -206.744
where: short stacking energy: -89.646
Base-Backbone interact. energy: 0.342
local terms energy: -139.548368
where:
bonds (distance) C4'-P energy: -39.027
bonds (distance) P-C4' energy: -48.491
flat angles C4'-P-C4' energy: -42.862
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: 6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -296.311120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.311120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.311120 (E_RNA)
where:
Base-Base interactions energy: -160.764
where: short stacking energy: -96.353
Base-Backbone interact. energy: 2.566
local terms energy: -138.112701
where:
bonds (distance) C4'-P energy: -38.635
bonds (distance) P-C4' energy: -36.099
flat angles C4'-P-C4' energy: -36.166
flat angles P-C4'-P energy: -21.669
tors. eta vs tors. theta energy: -5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -838.443121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.443121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.443121 (E_RNA)
where:
Base-Base interactions energy: -584.133
where: short stacking energy: -244.792
Base-Backbone interact. energy: -1.074
local terms energy: -253.236779
where:
bonds (distance) C4'-P energy: -47.376
bonds (distance) P-C4' energy: -48.327
flat angles C4'-P-C4' energy: -56.020
flat angles P-C4'-P energy: -36.470
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: 2, replica: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -837.059829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.059829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.059829 (E_RNA)
where:
Base-Base interactions energy: -592.739
where: short stacking energy: -259.459
Base-Backbone interact. energy: 0.927
local terms energy: -245.247401
where:
bonds (distance) C4'-P energy: -44.751
bonds (distance) P-C4' energy: -43.610
flat angles C4'-P-C4' energy: -47.577
flat angles P-C4'-P energy: -33.498
tors. eta vs tors. theta energy: -75.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -794.739904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.739904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.739904 (E_RNA)
where:
Base-Base interactions energy: -545.024
where: short stacking energy: -230.393
Base-Backbone interact. energy: -0.315
local terms energy: -249.401546
where:
bonds (distance) C4'-P energy: -50.977
bonds (distance) P-C4' energy: -43.597
flat angles C4'-P-C4' energy: -51.874
flat angles P-C4'-P energy: -36.174
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: 4, replica: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -763.199598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.199598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.199598 (E_RNA)
where:
Base-Base interactions energy: -523.927
where: short stacking energy: -223.488
Base-Backbone interact. energy: -0.696
local terms energy: -238.576118
where:
bonds (distance) C4'-P energy: -48.141
bonds (distance) P-C4' energy: -43.525
flat angles C4'-P-C4' energy: -50.852
flat angles P-C4'-P energy: -28.340
tors. eta vs tors. theta energy: -67.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -649.971250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.971250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.971250 (E_RNA)
where:
Base-Base interactions energy: -412.546
where: short stacking energy: -192.120
Base-Backbone interact. energy: 0.354
local terms energy: -237.778814
where:
bonds (distance) C4'-P energy: -46.519
bonds (distance) P-C4' energy: -46.319
flat angles C4'-P-C4' energy: -52.915
flat angles P-C4'-P energy: -35.169
tors. eta vs tors. theta energy: -56.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -663.833217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.833217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.833217 (E_RNA)
where:
Base-Base interactions energy: -451.438
where: short stacking energy: -203.076
Base-Backbone interact. energy: -1.426
local terms energy: -210.968800
where:
bonds (distance) C4'-P energy: -36.254
bonds (distance) P-C4' energy: -43.802
flat angles C4'-P-C4' energy: -54.333
flat angles P-C4'-P energy: -27.781
tors. eta vs tors. theta energy: -48.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -632.347729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.347729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.347729 (E_RNA)
where:
Base-Base interactions energy: -439.504
where: short stacking energy: -187.032
Base-Backbone interact. energy: -0.918
local terms energy: -191.925835
where:
bonds (distance) C4'-P energy: -39.708
bonds (distance) P-C4' energy: -45.346
flat angles C4'-P-C4' energy: -43.621
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -45.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -546.251385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.251385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.251385 (E_RNA)
where:
Base-Base interactions energy: -365.264
where: short stacking energy: -148.538
Base-Backbone interact. energy: -0.612
local terms energy: -180.374756
where:
bonds (distance) C4'-P energy: -33.197
bonds (distance) P-C4' energy: -41.838
flat angles C4'-P-C4' energy: -41.315
flat angles P-C4'-P energy: -29.689
tors. eta vs tors. theta energy: -34.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -340.139468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.139468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.139468 (E_RNA)
where:
Base-Base interactions energy: -173.161
where: short stacking energy: -93.184
Base-Backbone interact. energy: 0.814
local terms energy: -167.792618
where:
bonds (distance) C4'-P energy: -42.237
bonds (distance) P-C4' energy: -42.732
flat angles C4'-P-C4' energy: -31.193
flat angles P-C4'-P energy: -31.384
tors. eta vs tors. theta energy: -20.247
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: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -278.300048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.300048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.300048 (E_RNA)
where:
Base-Base interactions energy: -150.465
where: short stacking energy: -87.674
Base-Backbone interact. energy: -0.329
local terms energy: -127.505204
where:
bonds (distance) C4'-P energy: -41.585
bonds (distance) P-C4' energy: -33.057
flat angles C4'-P-C4' energy: -32.721
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -838.041734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.041734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.041734 (E_RNA)
where:
Base-Base interactions energy: -593.418
where: short stacking energy: -235.664
Base-Backbone interact. energy: -1.807
local terms energy: -242.816677
where:
bonds (distance) C4'-P energy: -46.434
bonds (distance) P-C4' energy: -47.349
flat angles C4'-P-C4' energy: -45.725
flat angles P-C4'-P energy: -37.528
tors. eta vs tors. theta energy: -65.779
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: 2, replica: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -838.169406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.169406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.169406 (E_RNA)
where:
Base-Base interactions energy: -577.961
where: short stacking energy: -249.198
Base-Backbone interact. energy: -1.308
local terms energy: -258.900205
where:
bonds (distance) C4'-P energy: -48.381
bonds (distance) P-C4' energy: -50.285
flat angles C4'-P-C4' energy: -51.556
flat angles P-C4'-P energy: -30.268
tors. eta vs tors. theta energy: -78.409
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: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -782.269720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.269720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.269720 (E_RNA)
where:
Base-Base interactions energy: -542.520
where: short stacking energy: -218.767
Base-Backbone interact. energy: 1.184
local terms energy: -240.933372
where:
bonds (distance) C4'-P energy: -42.252
bonds (distance) P-C4' energy: -47.435
flat angles C4'-P-C4' energy: -51.510
flat angles P-C4'-P energy: -38.259
tors. eta vs tors. theta energy: -61.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -753.631675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.631675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.631675 (E_RNA)
where:
Base-Base interactions energy: -517.109
where: short stacking energy: -218.954
Base-Backbone interact. energy: -0.870
local terms energy: -235.652613
where:
bonds (distance) C4'-P energy: -39.549
bonds (distance) P-C4' energy: -47.845
flat angles C4'-P-C4' energy: -57.353
flat angles P-C4'-P energy: -29.200
tors. eta vs tors. theta energy: -61.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -657.590709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.590709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.590709 (E_RNA)
where:
Base-Base interactions energy: -434.908
where: short stacking energy: -205.425
Base-Backbone interact. energy: 0.094
local terms energy: -222.776920
where:
bonds (distance) C4'-P energy: -49.319
bonds (distance) P-C4' energy: -44.012
flat angles C4'-P-C4' energy: -43.136
flat angles P-C4'-P energy: -32.872
tors. eta vs tors. theta energy: -53.438
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: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -678.841040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.841040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.841040 (E_RNA)
where:
Base-Base interactions energy: -462.990
where: short stacking energy: -203.720
Base-Backbone interact. energy: -1.916
local terms energy: -213.934712
where:
bonds (distance) C4'-P energy: -35.018
bonds (distance) P-C4' energy: -42.468
flat angles C4'-P-C4' energy: -49.720
flat angles P-C4'-P energy: -39.509
tors. eta vs tors. theta energy: -47.220
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: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -618.303759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.303759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.303759 (E_RNA)
where:
Base-Base interactions energy: -421.669
where: short stacking energy: -166.055
Base-Backbone interact. energy: 0.611
local terms energy: -197.245890
where:
bonds (distance) C4'-P energy: -32.333
bonds (distance) P-C4' energy: -43.242
flat angles C4'-P-C4' energy: -48.915
flat angles P-C4'-P energy: -28.558
tors. eta vs tors. theta energy: -44.199
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: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -563.115544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.115544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.115544 (E_RNA)
where:
Base-Base interactions energy: -364.110
where: short stacking energy: -151.477
Base-Backbone interact. energy: -1.498
local terms energy: -197.507465
where:
bonds (distance) C4'-P energy: -39.908
bonds (distance) P-C4' energy: -47.408
flat angles C4'-P-C4' energy: -46.242
flat angles P-C4'-P energy: -30.353
tors. eta vs tors. theta energy: -33.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -364.368841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.368841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.368841 (E_RNA)
where:
Base-Base interactions energy: -221.136
where: short stacking energy: -126.992
Base-Backbone interact. energy: 1.300
local terms energy: -144.532718
where:
bonds (distance) C4'-P energy: -40.061
bonds (distance) P-C4' energy: -42.003
flat angles C4'-P-C4' energy: -22.781
flat angles P-C4'-P energy: -24.400
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -288.637844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.637844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.637844 (E_RNA)
where:
Base-Base interactions energy: -149.236
where: short stacking energy: -79.410
Base-Backbone interact. energy: -0.475
local terms energy: -138.927137
where:
bonds (distance) C4'-P energy: -42.830
bonds (distance) P-C4' energy: -32.142
flat angles C4'-P-C4' energy: -36.374
flat angles P-C4'-P energy: -20.611
tors. eta vs tors. theta energy: -6.969
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: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -841.358559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.358559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.358559 (E_RNA)
where:
Base-Base interactions energy: -586.950
where: short stacking energy: -260.144
Base-Backbone interact. energy: -0.305
local terms energy: -254.103834
where:
bonds (distance) C4'-P energy: -46.611
bonds (distance) P-C4' energy: -46.730
flat angles C4'-P-C4' energy: -51.068
flat angles P-C4'-P energy: -32.837
tors. eta vs tors. theta energy: -76.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -842.582927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.582927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.582927 (E_RNA)
where:
Base-Base interactions energy: -595.337
where: short stacking energy: -240.042
Base-Backbone interact. energy: -0.186
local terms energy: -247.060112
where:
bonds (distance) C4'-P energy: -48.050
bonds (distance) P-C4' energy: -49.248
flat angles C4'-P-C4' energy: -47.271
flat angles P-C4'-P energy: -33.402
tors. eta vs tors. theta energy: -69.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -786.395680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.395680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.395680 (E_RNA)
where:
Base-Base interactions energy: -546.857
where: short stacking energy: -231.718
Base-Backbone interact. energy: -1.425
local terms energy: -238.113636
where:
bonds (distance) C4'-P energy: -47.344
bonds (distance) P-C4' energy: -43.308
flat angles C4'-P-C4' energy: -49.248
flat angles P-C4'-P energy: -35.354
tors. eta vs tors. theta energy: -62.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -742.602291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.602291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.602291 (E_RNA)
where:
Base-Base interactions energy: -513.642
where: short stacking energy: -212.937
Base-Backbone interact. energy: -0.152
local terms energy: -228.807466
where:
bonds (distance) C4'-P energy: -40.996
bonds (distance) P-C4' energy: -48.490
flat angles C4'-P-C4' energy: -46.356
flat angles P-C4'-P energy: -26.796
tors. eta vs tors. theta energy: -66.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -682.097956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.097956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.097956 (E_RNA)
where:
Base-Base interactions energy: -451.102
where: short stacking energy: -190.693
Base-Backbone interact. energy: -0.654
local terms energy: -230.341593
where:
bonds (distance) C4'-P energy: -49.479
bonds (distance) P-C4' energy: -45.144
flat angles C4'-P-C4' energy: -47.360
flat angles P-C4'-P energy: -33.621
tors. eta vs tors. theta energy: -54.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -643.322437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.322437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.322437 (E_RNA)
where:
Base-Base interactions energy: -445.005
where: short stacking energy: -209.549
Base-Backbone interact. energy: -0.173
local terms energy: -198.143982
where:
bonds (distance) C4'-P energy: -34.578
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -52.625
flat angles P-C4'-P energy: -29.141
tors. eta vs tors. theta energy: -48.016
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: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -599.257655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.257655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.257655 (E_RNA)
where:
Base-Base interactions energy: -396.749
where: short stacking energy: -178.516
Base-Backbone interact. energy: -1.008
local terms energy: -201.500178
where:
bonds (distance) C4'-P energy: -37.278
bonds (distance) P-C4' energy: -42.941
flat angles C4'-P-C4' energy: -46.254
flat angles P-C4'-P energy: -29.108
tors. eta vs tors. theta energy: -45.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -532.195788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.195788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.195788 (E_RNA)
where:
Base-Base interactions energy: -346.836
where: short stacking energy: -148.023
Base-Backbone interact. energy: 0.178
local terms energy: -185.538066
where:
bonds (distance) C4'-P energy: -32.532
bonds (distance) P-C4' energy: -41.419
flat angles C4'-P-C4' energy: -47.853
flat angles P-C4'-P energy: -34.638
tors. eta vs tors. theta energy: -29.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -273.413851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.413851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.413851 (E_RNA)
where:
Base-Base interactions energy: -129.675
where: short stacking energy: -83.180
Base-Backbone interact. energy: 1.027
local terms energy: -144.765509
where:
bonds (distance) C4'-P energy: -40.785
bonds (distance) P-C4' energy: -47.374
flat angles C4'-P-C4' energy: -37.482
flat angles P-C4'-P energy: -22.387
tors. eta vs tors. theta energy: 3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -324.193559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.193559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.193559 (E_RNA)
where:
Base-Base interactions energy: -185.409
where: short stacking energy: -99.578
Base-Backbone interact. energy: -0.675
local terms energy: -138.109322
where:
bonds (distance) C4'-P energy: -45.824
bonds (distance) P-C4' energy: -40.457
flat angles C4'-P-C4' energy: -24.840
flat angles P-C4'-P energy: -19.181
tors. eta vs tors. theta energy: -7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -840.231359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.231359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.231359 (E_RNA)
where:
Base-Base interactions energy: -587.335
where: short stacking energy: -242.069
Base-Backbone interact. energy: -0.265
local terms energy: -252.630843
where:
bonds (distance) C4'-P energy: -43.287
bonds (distance) P-C4' energy: -42.908
flat angles C4'-P-C4' energy: -51.754
flat angles P-C4'-P energy: -37.978
tors. eta vs tors. theta energy: -76.705
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: 8
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -831.746884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.746884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.746884 (E_RNA)
where:
Base-Base interactions energy: -596.201
where: short stacking energy: -244.399
Base-Backbone interact. energy: -0.246
local terms energy: -235.299814
where:
bonds (distance) C4'-P energy: -44.830
bonds (distance) P-C4' energy: -37.233
flat angles C4'-P-C4' energy: -47.735
flat angles P-C4'-P energy: -38.349
tors. eta vs tors. theta energy: -67.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -780.601818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.601818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.601818 (E_RNA)
where:
Base-Base interactions energy: -551.908
where: short stacking energy: -227.221
Base-Backbone interact. energy: -2.291
local terms energy: -226.403094
where:
bonds (distance) C4'-P energy: -37.476
bonds (distance) P-C4' energy: -45.825
flat angles C4'-P-C4' energy: -48.154
flat angles P-C4'-P energy: -35.011
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: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -700.624390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.624390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.624390 (E_RNA)
where:
Base-Base interactions energy: -471.064
where: short stacking energy: -202.167
Base-Backbone interact. energy: -0.252
local terms energy: -229.309034
where:
bonds (distance) C4'-P energy: -48.346
bonds (distance) P-C4' energy: -43.129
flat angles C4'-P-C4' energy: -47.620
flat angles P-C4'-P energy: -29.898
tors. eta vs tors. theta energy: -60.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -748.629107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.629107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.629107 (E_RNA)
where:
Base-Base interactions energy: -540.607
where: short stacking energy: -215.728
Base-Backbone interact. energy: -0.174
local terms energy: -207.848123
where:
bonds (distance) C4'-P energy: -37.476
bonds (distance) P-C4' energy: -33.001
flat angles C4'-P-C4' energy: -46.660
flat angles P-C4'-P energy: -29.613
tors. eta vs tors. theta energy: -61.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -639.650752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.650752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.650752 (E_RNA)
where:
Base-Base interactions energy: -422.849
where: short stacking energy: -191.722
Base-Backbone interact. energy: 0.695
local terms energy: -217.496462
where:
bonds (distance) C4'-P energy: -33.014
bonds (distance) P-C4' energy: -43.269
flat angles C4'-P-C4' energy: -53.727
flat angles P-C4'-P energy: -31.310
tors. eta vs tors. theta energy: -56.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -625.876764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.876764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.876764 (E_RNA)
where:
Base-Base interactions energy: -420.884
where: short stacking energy: -185.459
Base-Backbone interact. energy: -1.108
local terms energy: -203.885366
where:
bonds (distance) C4'-P energy: -45.080
bonds (distance) P-C4' energy: -41.067
flat angles C4'-P-C4' energy: -46.799
flat angles P-C4'-P energy: -21.148
tors. eta vs tors. theta energy: -49.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -546.488265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.488265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.488265 (E_RNA)
where:
Base-Base interactions energy: -360.250
where: short stacking energy: -151.303
Base-Backbone interact. energy: 0.373
local terms energy: -186.611249
where:
bonds (distance) C4'-P energy: -44.117
bonds (distance) P-C4' energy: -44.971
flat angles C4'-P-C4' energy: -35.022
flat angles P-C4'-P energy: -22.666
tors. eta vs tors. theta energy: -39.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -334.320728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.320728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.320728 (E_RNA)
where:
Base-Base interactions energy: -182.077
where: short stacking energy: -118.160
Base-Backbone interact. energy: -0.845
local terms energy: -151.399168
where:
bonds (distance) C4'-P energy: -36.253
bonds (distance) P-C4' energy: -37.017
flat angles C4'-P-C4' energy: -41.018
flat angles P-C4'-P energy: -19.561
tors. eta vs tors. theta energy: -17.549
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: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -292.299333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.299333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.299333 (E_RNA)
where:
Base-Base interactions energy: -142.289
where: short stacking energy: -90.196
Base-Backbone interact. energy: -0.930
local terms energy: -149.080013
where:
bonds (distance) C4'-P energy: -34.715
bonds (distance) P-C4' energy: -46.826
flat angles C4'-P-C4' energy: -38.730
flat angles P-C4'-P energy: -24.128
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -831.612865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.612865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.612865 (E_RNA)
where:
Base-Base interactions energy: -589.312
where: short stacking energy: -236.595
Base-Backbone interact. energy: -2.082
local terms energy: -240.218262
where:
bonds (distance) C4'-P energy: -45.195
bonds (distance) P-C4' energy: -48.620
flat angles C4'-P-C4' energy: -46.733
flat angles P-C4'-P energy: -38.602
tors. eta vs tors. theta energy: -61.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -832.197500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.197500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.197500 (E_RNA)
where:
Base-Base interactions energy: -570.182
where: short stacking energy: -253.145
Base-Backbone interact. energy: -0.713
local terms energy: -261.302306
where:
bonds (distance) C4'-P energy: -51.648
bonds (distance) P-C4' energy: -45.558
flat angles C4'-P-C4' energy: -45.800
flat angles P-C4'-P energy: -38.141
tors. eta vs tors. theta energy: -80.155
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: 7
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -783.973996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.973996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.973996 (E_RNA)
where:
Base-Base interactions energy: -545.731
where: short stacking energy: -211.175
Base-Backbone interact. energy: -1.344
local terms energy: -236.899764
where:
bonds (distance) C4'-P energy: -43.299
bonds (distance) P-C4' energy: -43.711
flat angles C4'-P-C4' energy: -55.612
flat angles P-C4'-P energy: -31.886
tors. eta vs tors. theta energy: -62.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -703.097085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.097085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.097085 (E_RNA)
where:
Base-Base interactions energy: -483.299
where: short stacking energy: -207.710
Base-Backbone interact. energy: 0.815
local terms energy: -220.613853
where:
bonds (distance) C4'-P energy: -38.669
bonds (distance) P-C4' energy: -46.527
flat angles C4'-P-C4' energy: -47.588
flat angles P-C4'-P energy: -35.727
tors. eta vs tors. theta energy: -52.103
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: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -734.833174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.833174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.833174 (E_RNA)
where:
Base-Base interactions energy: -514.329
where: short stacking energy: -214.974
Base-Backbone interact. energy: 0.849
local terms energy: -221.353295
where:
bonds (distance) C4'-P energy: -43.925
bonds (distance) P-C4' energy: -47.699
flat angles C4'-P-C4' energy: -46.877
flat angles P-C4'-P energy: -26.932
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: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -630.617911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.617911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.617911 (E_RNA)
where:
Base-Base interactions energy: -420.668
where: short stacking energy: -195.472
Base-Backbone interact. energy: -0.257
local terms energy: -209.692991
where:
bonds (distance) C4'-P energy: -41.472
bonds (distance) P-C4' energy: -41.488
flat angles C4'-P-C4' energy: -46.590
flat angles P-C4'-P energy: -29.588
tors. eta vs tors. theta energy: -50.555
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: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -615.128623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.128623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.128623 (E_RNA)
where:
Base-Base interactions energy: -404.667
where: short stacking energy: -183.100
Base-Backbone interact. energy: 1.917
local terms energy: -212.379077
where:
bonds (distance) C4'-P energy: -47.182
bonds (distance) P-C4' energy: -41.371
flat angles C4'-P-C4' energy: -42.211
flat angles P-C4'-P energy: -32.608
tors. eta vs tors. theta energy: -49.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -546.551282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.551282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.551282 (E_RNA)
where:
Base-Base interactions energy: -344.538
where: short stacking energy: -149.025
Base-Backbone interact. energy: -1.228
local terms energy: -200.785318
where:
bonds (distance) C4'-P energy: -46.040
bonds (distance) P-C4' energy: -41.766
flat angles C4'-P-C4' energy: -49.493
flat angles P-C4'-P energy: -23.753
tors. eta vs tors. theta energy: -39.733
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: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -345.554607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.554607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.554607 (E_RNA)
where:
Base-Base interactions energy: -191.020
where: short stacking energy: -109.400
Base-Backbone interact. energy: 0.483
local terms energy: -155.017723
where:
bonds (distance) C4'-P energy: -43.400
bonds (distance) P-C4' energy: -35.321
flat angles C4'-P-C4' energy: -38.527
flat angles P-C4'-P energy: -26.902
tors. eta vs tors. theta energy: -10.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -303.379538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.379538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.379538 (E_RNA)
where:
Base-Base interactions energy: -150.839
where: short stacking energy: -85.511
Base-Backbone interact. energy: -0.875
local terms energy: -151.666222
where:
bonds (distance) C4'-P energy: -39.620
bonds (distance) P-C4' energy: -48.225
flat angles C4'-P-C4' energy: -40.803
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -2.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -818.846845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.846845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.846845 (E_RNA)
where:
Base-Base interactions energy: -574.341
where: short stacking energy: -236.023
Base-Backbone interact. energy: -0.799
local terms energy: -243.706949
where:
bonds (distance) C4'-P energy: -46.138
bonds (distance) P-C4' energy: -48.587
flat angles C4'-P-C4' energy: -49.666
flat angles P-C4'-P energy: -35.267
tors. eta vs tors. theta energy: -64.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -832.999737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.999737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.999737 (E_RNA)
where:
Base-Base interactions energy: -576.886
where: short stacking energy: -247.151
Base-Backbone interact. energy: -0.504
local terms energy: -255.609875
where:
bonds (distance) C4'-P energy: -44.227
bonds (distance) P-C4' energy: -44.393
flat angles C4'-P-C4' energy: -56.528
flat angles P-C4'-P energy: -40.861
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: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -795.989922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.989922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.989922 (E_RNA)
where:
Base-Base interactions energy: -542.635
where: short stacking energy: -232.157
Base-Backbone interact. energy: -1.006
local terms energy: -252.348495
where:
bonds (distance) C4'-P energy: -50.204
bonds (distance) P-C4' energy: -44.682
flat angles C4'-P-C4' energy: -52.801
flat angles P-C4'-P energy: -37.199
tors. eta vs tors. theta energy: -67.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -726.913002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.913002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.913002 (E_RNA)
where:
Base-Base interactions energy: -504.420
where: short stacking energy: -219.291
Base-Backbone interact. energy: -1.585
local terms energy: -220.908201
where:
bonds (distance) C4'-P energy: -34.530
bonds (distance) P-C4' energy: -49.028
flat angles C4'-P-C4' energy: -52.232
flat angles P-C4'-P energy: -26.923
tors. eta vs tors. theta energy: -58.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -672.800884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.800884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.800884 (E_RNA)
where:
Base-Base interactions energy: -456.611
where: short stacking energy: -194.806
Base-Backbone interact. energy: -1.121
local terms energy: -215.068902
where:
bonds (distance) C4'-P energy: -46.252
bonds (distance) P-C4' energy: -39.090
flat angles C4'-P-C4' energy: -45.457
flat angles P-C4'-P energy: -34.842
tors. eta vs tors. theta energy: -49.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -636.897173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.897173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.897173 (E_RNA)
where:
Base-Base interactions energy: -440.044
where: short stacking energy: -179.661
Base-Backbone interact. energy: -1.576
local terms energy: -195.277790
where:
bonds (distance) C4'-P energy: -41.911
bonds (distance) P-C4' energy: -38.083
flat angles C4'-P-C4' energy: -41.508
flat angles P-C4'-P energy: -28.854
tors. eta vs tors. theta energy: -44.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -631.684737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.684737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.684737 (E_RNA)
where:
Base-Base interactions energy: -420.453
where: short stacking energy: -189.278
Base-Backbone interact. energy: -2.116
local terms energy: -209.115807
where:
bonds (distance) C4'-P energy: -40.005
bonds (distance) P-C4' energy: -42.880
flat angles C4'-P-C4' energy: -45.095
flat angles P-C4'-P energy: -30.567
tors. eta vs tors. theta energy: -50.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -540.718285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.718285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.718285 (E_RNA)
where:
Base-Base interactions energy: -369.421
where: short stacking energy: -163.543
Base-Backbone interact. energy: -0.310
local terms energy: -170.986754
where:
bonds (distance) C4'-P energy: -29.198
bonds (distance) P-C4' energy: -43.910
flat angles C4'-P-C4' energy: -39.521
flat angles P-C4'-P energy: -30.301
tors. eta vs tors. theta energy: -28.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -325.594355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.594355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.594355 (E_RNA)
where:
Base-Base interactions energy: -191.369
where: short stacking energy: -103.769
Base-Backbone interact. energy: -0.472
local terms energy: -133.753337
where:
bonds (distance) C4'-P energy: -31.552
bonds (distance) P-C4' energy: -39.309
flat angles C4'-P-C4' energy: -32.943
flat angles P-C4'-P energy: -21.720
tors. eta vs tors. theta energy: -8.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -315.475351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.475351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.475351 (E_RNA)
where:
Base-Base interactions energy: -171.520
where: short stacking energy: -103.879
Base-Backbone interact. energy: -0.686
local terms energy: -143.269479
where:
bonds (distance) C4'-P energy: -44.231
bonds (distance) P-C4' energy: -35.967
flat angles C4'-P-C4' energy: -40.360
flat angles P-C4'-P energy: -17.529
tors. eta vs tors. theta energy: -5.183
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: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -845.829486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.829486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.829486 (E_RNA)
where:
Base-Base interactions energy: -591.608
where: short stacking energy: -252.076
Base-Backbone interact. energy: -0.158
local terms energy: -254.063231
where:
bonds (distance) C4'-P energy: -44.433
bonds (distance) P-C4' energy: -47.876
flat angles C4'-P-C4' energy: -54.060
flat angles P-C4'-P energy: -31.461
tors. eta vs tors. theta energy: -76.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -820.184815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.184815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.184815 (E_RNA)
where:
Base-Base interactions energy: -577.114
where: short stacking energy: -230.649
Base-Backbone interact. energy: -0.323
local terms energy: -242.747141
where:
bonds (distance) C4'-P energy: -42.222
bonds (distance) P-C4' energy: -50.149
flat angles C4'-P-C4' energy: -54.644
flat angles P-C4'-P energy: -29.179
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: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -773.173024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.173024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.173024 (E_RNA)
where:
Base-Base interactions energy: -538.589
where: short stacking energy: -218.979
Base-Backbone interact. energy: -0.203
local terms energy: -234.381411
where:
bonds (distance) C4'-P energy: -44.105
bonds (distance) P-C4' energy: -47.522
flat angles C4'-P-C4' energy: -47.936
flat angles P-C4'-P energy: -33.675
tors. eta vs tors. theta energy: -61.144
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: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -718.892335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.892335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.892335 (E_RNA)
where:
Base-Base interactions energy: -491.575
where: short stacking energy: -209.198
Base-Backbone interact. energy: -2.047
local terms energy: -225.270150
where:
bonds (distance) C4'-P energy: -42.825
bonds (distance) P-C4' energy: -46.898
flat angles C4'-P-C4' energy: -46.381
flat angles P-C4'-P energy: -31.792
tors. eta vs tors. theta energy: -57.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -657.056419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.056419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.056419 (E_RNA)
where:
Base-Base interactions energy: -447.709
where: short stacking energy: -180.076
Base-Backbone interact. energy: 0.762
local terms energy: -210.109175
where:
bonds (distance) C4'-P energy: -45.177
bonds (distance) P-C4' energy: -43.004
flat angles C4'-P-C4' energy: -48.413
flat angles P-C4'-P energy: -32.302
tors. eta vs tors. theta energy: -41.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -619.226662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.226662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.226662 (E_RNA)
where:
Base-Base interactions energy: -419.895
where: short stacking energy: -187.329
Base-Backbone interact. energy: -2.094
local terms energy: -197.237626
where:
bonds (distance) C4'-P energy: -27.100
bonds (distance) P-C4' energy: -51.038
flat angles C4'-P-C4' energy: -44.363
flat angles P-C4'-P energy: -26.735
tors. eta vs tors. theta energy: -48.002
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: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -593.591053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.591053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.591053 (E_RNA)
where:
Base-Base interactions energy: -388.385
where: short stacking energy: -183.630
Base-Backbone interact. energy: 1.488
local terms energy: -206.693693
where:
bonds (distance) C4'-P energy: -50.426
bonds (distance) P-C4' energy: -46.283
flat angles C4'-P-C4' energy: -41.846
flat angles P-C4'-P energy: -31.413
tors. eta vs tors. theta energy: -36.726
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: 8, replica: 2
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -567.045307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.045307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.045307 (E_RNA)
where:
Base-Base interactions energy: -374.756
where: short stacking energy: -172.139
Base-Backbone interact. energy: 2.370
local terms energy: -194.659178
where:
bonds (distance) C4'-P energy: -41.481
bonds (distance) P-C4' energy: -37.647
flat angles C4'-P-C4' energy: -39.509
flat angles P-C4'-P energy: -33.094
tors. eta vs tors. theta energy: -42.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -363.423007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.423007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.423007 (E_RNA)
where:
Base-Base interactions energy: -204.998
where: short stacking energy: -110.640
Base-Backbone interact. energy: 1.114
local terms energy: -159.538679
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -38.306
flat angles C4'-P-C4' energy: -42.367
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -25.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -319.143070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.143070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.143070 (E_RNA)
where:
Base-Base interactions energy: -195.615
where: short stacking energy: -87.268
Base-Backbone interact. energy: -0.325
local terms energy: -123.203625
where:
bonds (distance) C4'-P energy: -25.860
bonds (distance) P-C4' energy: -41.442
flat angles C4'-P-C4' energy: -33.490
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -3.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -864.928907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.928907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.928907 (E_RNA)
where:
Base-Base interactions energy: -596.388
where: short stacking energy: -252.556
Base-Backbone interact. energy: 1.207
local terms energy: -269.747485
where:
bonds (distance) C4'-P energy: -50.524
bonds (distance) P-C4' energy: -47.932
flat angles C4'-P-C4' energy: -53.524
flat angles P-C4'-P energy: -40.374
tors. eta vs tors. theta energy: -77.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -825.515168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.515168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.515168 (E_RNA)
where:
Base-Base interactions energy: -585.216
where: short stacking energy: -243.599
Base-Backbone interact. energy: 2.756
local terms energy: -243.054878
where:
bonds (distance) C4'-P energy: -45.463
bonds (distance) P-C4' energy: -48.624
flat angles C4'-P-C4' energy: -45.526
flat angles P-C4'-P energy: -32.263
tors. eta vs tors. theta energy: -71.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -783.752435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.752435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.752435 (E_RNA)
where:
Base-Base interactions energy: -543.306
where: short stacking energy: -209.254
Base-Backbone interact. energy: -1.102
local terms energy: -239.344479
where:
bonds (distance) C4'-P energy: -45.036
bonds (distance) P-C4' energy: -49.979
flat angles C4'-P-C4' energy: -52.869
flat angles P-C4'-P energy: -27.304
tors. eta vs tors. theta energy: -64.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -739.299530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.299530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.299530 (E_RNA)
where:
Base-Base interactions energy: -523.565
where: short stacking energy: -230.268
Base-Backbone interact. energy: -1.493
local terms energy: -214.241486
where:
bonds (distance) C4'-P energy: -38.710
bonds (distance) P-C4' energy: -41.848
flat angles C4'-P-C4' energy: -51.133
flat angles P-C4'-P energy: -23.702
tors. eta vs tors. theta energy: -58.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -657.866355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.866355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.866355 (E_RNA)
where:
Base-Base interactions energy: -465.146
where: short stacking energy: -191.477
Base-Backbone interact. energy: 1.695
local terms energy: -194.415575
where:
bonds (distance) C4'-P energy: -40.137
bonds (distance) P-C4' energy: -45.152
flat angles C4'-P-C4' energy: -42.622
flat angles P-C4'-P energy: -21.342
tors. eta vs tors. theta energy: -45.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -630.948299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.948299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.948299 (E_RNA)
where:
Base-Base interactions energy: -434.978
where: short stacking energy: -194.506
Base-Backbone interact. energy: 0.898
local terms energy: -196.867920
where:
bonds (distance) C4'-P energy: -32.236
bonds (distance) P-C4' energy: -46.918
flat angles C4'-P-C4' energy: -43.267
flat angles P-C4'-P energy: -31.679
tors. eta vs tors. theta energy: -42.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -635.113532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.113532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.113532 (E_RNA)
where:
Base-Base interactions energy: -421.392
where: short stacking energy: -197.560
Base-Backbone interact. energy: 0.840
local terms energy: -214.561776
where:
bonds (distance) C4'-P energy: -45.533
bonds (distance) P-C4' energy: -38.310
flat angles C4'-P-C4' energy: -45.080
flat angles P-C4'-P energy: -34.048
tors. eta vs tors. theta energy: -51.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -569.498918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.498918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.498918 (E_RNA)
where:
Base-Base interactions energy: -383.542
where: short stacking energy: -167.787
Base-Backbone interact. energy: -0.703
local terms energy: -185.253815
where:
bonds (distance) C4'-P energy: -41.736
bonds (distance) P-C4' energy: -40.014
flat angles C4'-P-C4' energy: -29.877
flat angles P-C4'-P energy: -34.631
tors. eta vs tors. theta energy: -38.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -324.458068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.458068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.458068 (E_RNA)
where:
Base-Base interactions energy: -184.336
where: short stacking energy: -104.252
Base-Backbone interact. energy: 0.316
local terms energy: -140.438365
where:
bonds (distance) C4'-P energy: -33.026
bonds (distance) P-C4' energy: -37.181
flat angles C4'-P-C4' energy: -41.642
flat angles P-C4'-P energy: -18.796
tors. eta vs tors. theta energy: -9.793
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: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -292.806166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.806166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.806166 (E_RNA)
where:
Base-Base interactions energy: -162.439
where: short stacking energy: -88.959
Base-Backbone interact. energy: 6.006
local terms energy: -136.373310
where:
bonds (distance) C4'-P energy: -39.564
bonds (distance) P-C4' energy: -42.316
flat angles C4'-P-C4' energy: -40.850
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: 5.679
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: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -866.191963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.191963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.191963 (E_RNA)
where:
Base-Base interactions energy: -600.855
where: short stacking energy: -245.807
Base-Backbone interact. energy: -1.683
local terms energy: -263.654120
where:
bonds (distance) C4'-P energy: -51.612
bonds (distance) P-C4' energy: -46.557
flat angles C4'-P-C4' energy: -55.686
flat angles P-C4'-P energy: -31.622
tors. eta vs tors. theta energy: -78.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -817.453579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.453579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.453579 (E_RNA)
where:
Base-Base interactions energy: -566.461
where: short stacking energy: -233.590
Base-Backbone interact. energy: -1.811
local terms energy: -249.182159
where:
bonds (distance) C4'-P energy: -50.025
bonds (distance) P-C4' energy: -47.633
flat angles C4'-P-C4' energy: -49.736
flat angles P-C4'-P energy: -29.675
tors. eta vs tors. theta energy: -72.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -775.142828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.142828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.142828 (E_RNA)
where:
Base-Base interactions energy: -535.794
where: short stacking energy: -219.162
Base-Backbone interact. energy: 0.302
local terms energy: -239.650941
where:
bonds (distance) C4'-P energy: -39.502
bonds (distance) P-C4' energy: -48.962
flat angles C4'-P-C4' energy: -56.829
flat angles P-C4'-P energy: -35.190
tors. eta vs tors. theta energy: -59.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -740.454606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.454606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.454606 (E_RNA)
where:
Base-Base interactions energy: -514.007
where: short stacking energy: -219.183
Base-Backbone interact. energy: -0.657
local terms energy: -225.789998
where:
bonds (distance) C4'-P energy: -41.476
bonds (distance) P-C4' energy: -47.140
flat angles C4'-P-C4' energy: -46.923
flat angles P-C4'-P energy: -21.230
tors. eta vs tors. theta energy: -69.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -649.013746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.013746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.013746 (E_RNA)
where:
Base-Base interactions energy: -430.439
where: short stacking energy: -180.382
Base-Backbone interact. energy: -0.532
local terms energy: -218.042647
where:
bonds (distance) C4'-P energy: -41.891
bonds (distance) P-C4' energy: -46.925
flat angles C4'-P-C4' energy: -49.587
flat angles P-C4'-P energy: -33.196
tors. eta vs tors. theta energy: -46.444
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: 4
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -630.625890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.625890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.625890 (E_RNA)
where:
Base-Base interactions energy: -430.947
where: short stacking energy: -182.345
Base-Backbone interact. energy: -0.798
local terms energy: -198.880756
where:
bonds (distance) C4'-P energy: -44.653
bonds (distance) P-C4' energy: -32.804
flat angles C4'-P-C4' energy: -43.322
flat angles P-C4'-P energy: -32.346
tors. eta vs tors. theta energy: -45.755
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: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -616.812499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.812499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.812499 (E_RNA)
where:
Base-Base interactions energy: -411.190
where: short stacking energy: -195.532
Base-Backbone interact. energy: -0.926
local terms energy: -204.696776
where:
bonds (distance) C4'-P energy: -40.320
bonds (distance) P-C4' energy: -53.297
flat angles C4'-P-C4' energy: -38.539
flat angles P-C4'-P energy: -26.370
tors. eta vs tors. theta energy: -46.170
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: 8, replica: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -586.907348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.907348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.907348 (E_RNA)
where:
Base-Base interactions energy: -390.452
where: short stacking energy: -166.941
Base-Backbone interact. energy: 2.969
local terms energy: -199.424506
where:
bonds (distance) C4'-P energy: -39.550
bonds (distance) P-C4' energy: -46.100
flat angles C4'-P-C4' energy: -40.686
flat angles P-C4'-P energy: -32.272
tors. eta vs tors. theta energy: -40.816
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: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -360.686785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.686785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.686785 (E_RNA)
where:
Base-Base interactions energy: -220.780
where: short stacking energy: -110.826
Base-Backbone interact. energy: 0.249
local terms energy: -140.155496
where:
bonds (distance) C4'-P energy: -28.085
bonds (distance) P-C4' energy: -40.354
flat angles C4'-P-C4' energy: -34.048
flat angles P-C4'-P energy: -21.628
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: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -302.922489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.922489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.922489 (E_RNA)
where:
Base-Base interactions energy: -166.874
where: short stacking energy: -95.562
Base-Backbone interact. energy: 1.522
local terms energy: -137.570763
where:
bonds (distance) C4'-P energy: -36.458
bonds (distance) P-C4' energy: -32.319
flat angles C4'-P-C4' energy: -35.576
flat angles P-C4'-P energy: -19.356
tors. eta vs tors. theta energy: -13.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -865.108181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.108181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.108181 (E_RNA)
where:
Base-Base interactions energy: -599.056
where: short stacking energy: -261.802
Base-Backbone interact. energy: -0.830
local terms energy: -265.222350
where:
bonds (distance) C4'-P energy: -48.230
bonds (distance) P-C4' energy: -46.308
flat angles C4'-P-C4' energy: -53.436
flat angles P-C4'-P energy: -36.324
tors. eta vs tors. theta energy: -80.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -796.449527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.449527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.449527 (E_RNA)
where:
Base-Base interactions energy: -551.845
where: short stacking energy: -222.715
Base-Backbone interact. energy: -0.807
local terms energy: -243.797798
where:
bonds (distance) C4'-P energy: -41.513
bonds (distance) P-C4' energy: -50.072
flat angles C4'-P-C4' energy: -57.270
flat angles P-C4'-P energy: -32.675
tors. eta vs tors. theta energy: -62.268
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: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -795.408400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.408400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.408400 (E_RNA)
where:
Base-Base interactions energy: -551.964
where: short stacking energy: -241.708
Base-Backbone interact. energy: -0.565
local terms energy: -242.879241
where:
bonds (distance) C4'-P energy: -45.718
bonds (distance) P-C4' energy: -44.159
flat angles C4'-P-C4' energy: -46.618
flat angles P-C4'-P energy: -39.303
tors. eta vs tors. theta energy: -67.082
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: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -683.657632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.657632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.657632 (E_RNA)
where:
Base-Base interactions energy: -453.621
where: short stacking energy: -204.461
Base-Backbone interact. energy: -1.001
local terms energy: -229.035677
where:
bonds (distance) C4'-P energy: -46.366
bonds (distance) P-C4' energy: -50.827
flat angles C4'-P-C4' energy: -46.029
flat angles P-C4'-P energy: -34.329
tors. eta vs tors. theta energy: -51.485
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: 5, replica: 1
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -709.572450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.572450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.572450 (E_RNA)
where:
Base-Base interactions energy: -496.464
where: short stacking energy: -215.514
Base-Backbone interact. energy: 0.999
local terms energy: -214.106690
where:
bonds (distance) C4'-P energy: -38.962
bonds (distance) P-C4' energy: -39.508
flat angles C4'-P-C4' energy: -43.384
flat angles P-C4'-P energy: -36.254
tors. eta vs tors. theta energy: -55.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -637.691322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.691322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.691322 (E_RNA)
where:
Base-Base interactions energy: -403.686
where: short stacking energy: -185.001
Base-Backbone interact. energy: -0.514
local terms energy: -233.491013
where:
bonds (distance) C4'-P energy: -51.623
bonds (distance) P-C4' energy: -45.568
flat angles C4'-P-C4' energy: -48.657
flat angles P-C4'-P energy: -31.378
tors. eta vs tors. theta energy: -56.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -608.381738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.381738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.381738 (E_RNA)
where:
Base-Base interactions energy: -407.639
where: short stacking energy: -173.536
Base-Backbone interact. energy: -0.715
local terms energy: -200.027285
where:
bonds (distance) C4'-P energy: -35.012
bonds (distance) P-C4' energy: -47.615
flat angles C4'-P-C4' energy: -40.281
flat angles P-C4'-P energy: -31.863
tors. eta vs tors. theta energy: -45.257
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: 2
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -611.916431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.916431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.916431 (E_RNA)
where:
Base-Base interactions energy: -431.604
where: short stacking energy: -189.528
Base-Backbone interact. energy: 1.971
local terms energy: -182.283883
where:
bonds (distance) C4'-P energy: -29.589
bonds (distance) P-C4' energy: -42.197
flat angles C4'-P-C4' energy: -47.813
flat angles P-C4'-P energy: -24.207
tors. eta vs tors. theta energy: -38.478
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: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -392.699948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.699948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.699948 (E_RNA)
where:
Base-Base interactions energy: -229.230
where: short stacking energy: -122.086
Base-Backbone interact. energy: 1.038
local terms energy: -164.507258
where:
bonds (distance) C4'-P energy: -40.947
bonds (distance) P-C4' energy: -43.835
flat angles C4'-P-C4' energy: -34.485
flat angles P-C4'-P energy: -27.559
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -313.768449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.768449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.768449 (E_RNA)
where:
Base-Base interactions energy: -155.122
where: short stacking energy: -99.107
Base-Backbone interact. energy: -1.118
local terms energy: -157.528844
where:
bonds (distance) C4'-P energy: -42.126
bonds (distance) P-C4' energy: -42.953
flat angles C4'-P-C4' energy: -32.239
flat angles P-C4'-P energy: -24.807
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -844.464577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.464577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.464577 (E_RNA)
where:
Base-Base interactions energy: -581.896
where: short stacking energy: -256.111
Base-Backbone interact. energy: -1.045
local terms energy: -261.523492
where:
bonds (distance) C4'-P energy: -48.139
bonds (distance) P-C4' energy: -45.287
flat angles C4'-P-C4' energy: -47.156
flat angles P-C4'-P energy: -42.066
tors. eta vs tors. theta energy: -78.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -791.120774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.120774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.120774 (E_RNA)
where:
Base-Base interactions energy: -550.240
where: short stacking energy: -228.142
Base-Backbone interact. energy: 2.463
local terms energy: -243.343523
where:
bonds (distance) C4'-P energy: -39.421
bonds (distance) P-C4' energy: -49.181
flat angles C4'-P-C4' energy: -50.473
flat angles P-C4'-P energy: -36.013
tors. eta vs tors. theta energy: -68.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -797.296861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.296861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.296861 (E_RNA)
where:
Base-Base interactions energy: -556.355
where: short stacking energy: -233.434
Base-Backbone interact. energy: 0.316
local terms energy: -241.257247
where:
bonds (distance) C4'-P energy: -39.702
bonds (distance) P-C4' energy: -43.992
flat angles C4'-P-C4' energy: -51.637
flat angles P-C4'-P energy: -33.711
tors. eta vs tors. theta energy: -72.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -703.878452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.878452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.878452 (E_RNA)
where:
Base-Base interactions energy: -479.140
where: short stacking energy: -211.123
Base-Backbone interact. energy: -0.855
local terms energy: -223.882701
where:
bonds (distance) C4'-P energy: -41.030
bonds (distance) P-C4' energy: -44.736
flat angles C4'-P-C4' energy: -47.843
flat angles P-C4'-P energy: -32.663
tors. eta vs tors. theta energy: -57.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -707.146091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.146091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.146091 (E_RNA)
where:
Base-Base interactions energy: -499.954
where: short stacking energy: -218.267
Base-Backbone interact. energy: -1.246
local terms energy: -205.946645
where:
bonds (distance) C4'-P energy: -44.200
bonds (distance) P-C4' energy: -36.983
flat angles C4'-P-C4' energy: -41.850
flat angles P-C4'-P energy: -26.678
tors. eta vs tors. theta energy: -56.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -617.627390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.627390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.627390 (E_RNA)
where:
Base-Base interactions energy: -411.300
where: short stacking energy: -192.979
Base-Backbone interact. energy: -0.855
local terms energy: -205.472302
where:
bonds (distance) C4'-P energy: -39.510
bonds (distance) P-C4' energy: -39.515
flat angles C4'-P-C4' energy: -45.914
flat angles P-C4'-P energy: -31.281
tors. eta vs tors. theta energy: -49.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -595.538015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.538015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.538015 (E_RNA)
where:
Base-Base interactions energy: -405.942
where: short stacking energy: -165.454
Base-Backbone interact. energy: -0.785
local terms energy: -188.811514
where:
bonds (distance) C4'-P energy: -43.517
bonds (distance) P-C4' energy: -41.169
flat angles C4'-P-C4' energy: -36.319
flat angles P-C4'-P energy: -26.301
tors. eta vs tors. theta energy: -41.505
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: 218
Temperature: 1.250000
Total energy: -608.111411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.111411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.111411 (E_RNA)
where:
Base-Base interactions energy: -416.701
where: short stacking energy: -182.940
Base-Backbone interact. energy: -0.191
local terms energy: -191.219097
where:
bonds (distance) C4'-P energy: -36.636
bonds (distance) P-C4' energy: -38.528
flat angles C4'-P-C4' energy: -38.257
flat angles P-C4'-P energy: -24.518
tors. eta vs tors. theta energy: -53.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -340.007491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.007491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.007491 (E_RNA)
where:
Base-Base interactions energy: -187.213
where: short stacking energy: -88.749
Base-Backbone interact. energy: -0.461
local terms energy: -152.333998
where:
bonds (distance) C4'-P energy: -40.790
bonds (distance) P-C4' energy: -43.001
flat angles C4'-P-C4' energy: -37.858
flat angles P-C4'-P energy: -24.856
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -322.095046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.095046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.095046 (E_RNA)
where:
Base-Base interactions energy: -177.248
where: short stacking energy: -93.843
Base-Backbone interact. energy: -0.426
local terms energy: -144.420319
where:
bonds (distance) C4'-P energy: -41.973
bonds (distance) P-C4' energy: -40.670
flat angles C4'-P-C4' energy: -34.365
flat angles P-C4'-P energy: -18.558
tors. eta vs tors. theta energy: -8.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -855.648882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.648882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.648882 (E_RNA)
where:
Base-Base interactions energy: -586.359
where: short stacking energy: -269.192
Base-Backbone interact. energy: -1.440
local terms energy: -267.850046
where:
bonds (distance) C4'-P energy: -47.620
bonds (distance) P-C4' energy: -45.881
flat angles C4'-P-C4' energy: -58.262
flat angles P-C4'-P energy: -33.682
tors. eta vs tors. theta energy: -82.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -817.051754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.051754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.051754 (E_RNA)
where:
Base-Base interactions energy: -564.397
where: short stacking energy: -234.319
Base-Backbone interact. energy: -1.898
local terms energy: -250.756293
where:
bonds (distance) C4'-P energy: -45.092
bonds (distance) P-C4' energy: -45.617
flat angles C4'-P-C4' energy: -48.640
flat angles P-C4'-P energy: -40.122
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: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -787.576404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.576404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.576404 (E_RNA)
where:
Base-Base interactions energy: -549.429
where: short stacking energy: -237.761
Base-Backbone interact. energy: 1.366
local terms energy: -239.513242
where:
bonds (distance) C4'-P energy: -41.957
bonds (distance) P-C4' energy: -42.652
flat angles C4'-P-C4' energy: -52.971
flat angles P-C4'-P energy: -33.678
tors. eta vs tors. theta energy: -68.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -737.647988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.647988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.647988 (E_RNA)
where:
Base-Base interactions energy: -508.629
where: short stacking energy: -210.568
Base-Backbone interact. energy: -1.260
local terms energy: -227.758986
where:
bonds (distance) C4'-P energy: -42.625
bonds (distance) P-C4' energy: -51.459
flat angles C4'-P-C4' energy: -50.190
flat angles P-C4'-P energy: -28.505
tors. eta vs tors. theta energy: -54.980
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: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -683.539759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.539759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.539759 (E_RNA)
where:
Base-Base interactions energy: -468.081
where: short stacking energy: -201.638
Base-Backbone interact. energy: -1.108
local terms energy: -214.350280
where:
bonds (distance) C4'-P energy: -46.991
bonds (distance) P-C4' energy: -33.047
flat angles C4'-P-C4' energy: -41.939
flat angles P-C4'-P energy: -37.388
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: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -630.487712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.487712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.487712 (E_RNA)
where:
Base-Base interactions energy: -424.172
where: short stacking energy: -208.342
Base-Backbone interact. energy: -1.501
local terms energy: -204.814235
where:
bonds (distance) C4'-P energy: -34.896
bonds (distance) P-C4' energy: -38.087
flat angles C4'-P-C4' energy: -48.665
flat angles P-C4'-P energy: -34.185
tors. eta vs tors. theta energy: -48.980
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: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -624.923126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.923126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.923126 (E_RNA)
where:
Base-Base interactions energy: -413.242
where: short stacking energy: -186.329
Base-Backbone interact. energy: -0.723
local terms energy: -210.958202
where:
bonds (distance) C4'-P energy: -37.419
bonds (distance) P-C4' energy: -35.195
flat angles C4'-P-C4' energy: -50.369
flat angles P-C4'-P energy: -33.680
tors. eta vs tors. theta energy: -54.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -603.438582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.438582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.438582 (E_RNA)
where:
Base-Base interactions energy: -411.046
where: short stacking energy: -181.195
Base-Backbone interact. energy: -0.611
local terms energy: -191.781899
where:
bonds (distance) C4'-P energy: -38.804
bonds (distance) P-C4' energy: -40.449
flat angles C4'-P-C4' energy: -37.545
flat angles P-C4'-P energy: -36.239
tors. eta vs tors. theta energy: -38.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -340.540835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.540835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.540835 (E_RNA)
where:
Base-Base interactions energy: -196.165
where: short stacking energy: -110.411
Base-Backbone interact. energy: -0.364
local terms energy: -144.012606
where:
bonds (distance) C4'-P energy: -40.943
bonds (distance) P-C4' energy: -33.678
flat angles C4'-P-C4' energy: -35.897
flat angles P-C4'-P energy: -23.487
tors. eta vs tors. theta energy: -10.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -289.506058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.506058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.506058 (E_RNA)
where:
Base-Base interactions energy: -143.957
where: short stacking energy: -81.760
Base-Backbone interact. energy: -0.223
local terms energy: -145.326376
where:
bonds (distance) C4'-P energy: -35.248
bonds (distance) P-C4' energy: -39.125
flat angles C4'-P-C4' energy: -38.437
flat angles P-C4'-P energy: -23.788
tors. eta vs tors. theta energy: -8.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -851.607285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.607285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.607285 (E_RNA)
where:
Base-Base interactions energy: -582.808
where: short stacking energy: -254.287
Base-Backbone interact. energy: -0.248
local terms energy: -268.550978
where:
bonds (distance) C4'-P energy: -48.182
bonds (distance) P-C4' energy: -47.681
flat angles C4'-P-C4' energy: -53.127
flat angles P-C4'-P energy: -39.061
tors. eta vs tors. theta energy: -80.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -800.393189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.393189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.393189 (E_RNA)
where:
Base-Base interactions energy: -557.288
where: short stacking energy: -235.488
Base-Backbone interact. energy: -0.323
local terms energy: -242.781761
where:
bonds (distance) C4'-P energy: -41.443
bonds (distance) P-C4' energy: -41.318
flat angles C4'-P-C4' energy: -55.207
flat angles P-C4'-P energy: -39.048
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: 3, replica: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -806.301077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.301077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.301077 (E_RNA)
where:
Base-Base interactions energy: -553.996
where: short stacking energy: -233.516
Base-Backbone interact. energy: -0.581
local terms energy: -251.724299
where:
bonds (distance) C4'-P energy: -52.845
bonds (distance) P-C4' energy: -46.718
flat angles C4'-P-C4' energy: -45.745
flat angles P-C4'-P energy: -41.305
tors. eta vs tors. theta energy: -65.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -736.962537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.962537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.962537 (E_RNA)
where:
Base-Base interactions energy: -493.829
where: short stacking energy: -221.138
Base-Backbone interact. energy: -1.781
local terms energy: -241.353215
where:
bonds (distance) C4'-P energy: -46.788
bonds (distance) P-C4' energy: -48.522
flat angles C4'-P-C4' energy: -47.729
flat angles P-C4'-P energy: -34.423
tors. eta vs tors. theta energy: -63.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -660.613279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.613279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.613279 (E_RNA)
where:
Base-Base interactions energy: -448.787
where: short stacking energy: -196.950
Base-Backbone interact. energy: -3.780
local terms energy: -208.045537
where:
bonds (distance) C4'-P energy: -34.110
bonds (distance) P-C4' energy: -47.692
flat angles C4'-P-C4' energy: -43.990
flat angles P-C4'-P energy: -34.753
tors. eta vs tors. theta energy: -47.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -658.663308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.663308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.663308 (E_RNA)
where:
Base-Base interactions energy: -471.197
where: short stacking energy: -207.126
Base-Backbone interact. energy: 2.603
local terms energy: -190.069046
where:
bonds (distance) C4'-P energy: -35.296
bonds (distance) P-C4' energy: -43.289
flat angles C4'-P-C4' energy: -39.648
flat angles P-C4'-P energy: -22.261
tors. eta vs tors. theta energy: -49.575
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: 6
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -614.083087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.083087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.083087 (E_RNA)
where:
Base-Base interactions energy: -420.299
where: short stacking energy: -207.500
Base-Backbone interact. energy: 2.095
local terms energy: -195.879465
where:
bonds (distance) C4'-P energy: -34.783
bonds (distance) P-C4' energy: -42.804
flat angles C4'-P-C4' energy: -38.139
flat angles P-C4'-P energy: -26.843
tors. eta vs tors. theta energy: -53.311
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: 2
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -628.492329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.492329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.492329 (E_RNA)
where:
Base-Base interactions energy: -418.619
where: short stacking energy: -187.187
Base-Backbone interact. energy: -0.618
local terms energy: -209.255112
where:
bonds (distance) C4'-P energy: -39.616
bonds (distance) P-C4' energy: -51.010
flat angles C4'-P-C4' energy: -31.037
flat angles P-C4'-P energy: -29.432
tors. eta vs tors. theta energy: -58.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -345.016729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.016729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.016729 (E_RNA)
where:
Base-Base interactions energy: -186.455
where: short stacking energy: -109.674
Base-Backbone interact. energy: -0.522
local terms energy: -158.039747
where:
bonds (distance) C4'-P energy: -38.311
bonds (distance) P-C4' energy: -43.559
flat angles C4'-P-C4' energy: -39.033
flat angles P-C4'-P energy: -25.224
tors. eta vs tors. theta energy: -11.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -269.820653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.820653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.820653 (E_RNA)
where:
Base-Base interactions energy: -136.640
where: short stacking energy: -99.660
Base-Backbone interact. energy: -0.621
local terms energy: -132.560049
where:
bonds (distance) C4'-P energy: -36.229
bonds (distance) P-C4' energy: -46.085
flat angles C4'-P-C4' energy: -24.706
flat angles P-C4'-P energy: -19.962
tors. eta vs tors. theta energy: -5.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -860.778209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.778209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.778209 (E_RNA)
where:
Base-Base interactions energy: -593.027
where: short stacking energy: -248.286
Base-Backbone interact. energy: -1.861
local terms energy: -265.890168
where:
bonds (distance) C4'-P energy: -52.695
bonds (distance) P-C4' energy: -47.314
flat angles C4'-P-C4' energy: -52.713
flat angles P-C4'-P energy: -33.655
tors. eta vs tors. theta energy: -79.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -822.455892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.455892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.455892 (E_RNA)
where:
Base-Base interactions energy: -580.257
where: short stacking energy: -257.403
Base-Backbone interact. energy: -0.832
local terms energy: -241.366669
where:
bonds (distance) C4'-P energy: -42.487
bonds (distance) P-C4' energy: -42.676
flat angles C4'-P-C4' energy: -49.243
flat angles P-C4'-P energy: -36.907
tors. eta vs tors. theta energy: -70.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -756.299685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.299685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.299685 (E_RNA)
where:
Base-Base interactions energy: -523.599
where: short stacking energy: -213.699
Base-Backbone interact. energy: -1.410
local terms energy: -231.291209
where:
bonds (distance) C4'-P energy: -44.778
bonds (distance) P-C4' energy: -44.162
flat angles C4'-P-C4' energy: -50.173
flat angles P-C4'-P energy: -39.462
tors. eta vs tors. theta energy: -52.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -734.706116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.706116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.706116 (E_RNA)
where:
Base-Base interactions energy: -505.353
where: short stacking energy: -229.634
Base-Backbone interact. energy: -1.650
local terms energy: -227.703482
where:
bonds (distance) C4'-P energy: -44.597
bonds (distance) P-C4' energy: -38.779
flat angles C4'-P-C4' energy: -47.445
flat angles P-C4'-P energy: -34.513
tors. eta vs tors. theta energy: -62.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -661.492531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.492531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.492531 (E_RNA)
where:
Base-Base interactions energy: -448.809
where: short stacking energy: -205.401
Base-Backbone interact. energy: -1.887
local terms energy: -210.796568
where:
bonds (distance) C4'-P energy: -32.196
bonds (distance) P-C4' energy: -50.500
flat angles C4'-P-C4' energy: -40.318
flat angles P-C4'-P energy: -35.359
tors. eta vs tors. theta energy: -52.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -648.396393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.396393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.396393 (E_RNA)
where:
Base-Base interactions energy: -415.657
where: short stacking energy: -195.259
Base-Backbone interact. energy: 0.278
local terms energy: -233.017169
where:
bonds (distance) C4'-P energy: -47.100
bonds (distance) P-C4' energy: -46.881
flat angles C4'-P-C4' energy: -49.261
flat angles P-C4'-P energy: -33.220
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: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -624.781121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.781121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.781121 (E_RNA)
where:
Base-Base interactions energy: -428.490
where: short stacking energy: -181.810
Base-Backbone interact. energy: -0.311
local terms energy: -195.980509
where:
bonds (distance) C4'-P energy: -33.357
bonds (distance) P-C4' energy: -39.840
flat angles C4'-P-C4' energy: -50.230
flat angles P-C4'-P energy: -24.674
tors. eta vs tors. theta energy: -47.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -610.101921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.101921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.101921 (E_RNA)
where:
Base-Base interactions energy: -421.384
where: short stacking energy: -180.976
Base-Backbone interact. energy: -2.111
local terms energy: -186.607311
where:
bonds (distance) C4'-P energy: -32.700
bonds (distance) P-C4' energy: -33.809
flat angles C4'-P-C4' energy: -40.866
flat angles P-C4'-P energy: -31.410
tors. eta vs tors. theta energy: -47.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -322.145743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.145743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.145743 (E_RNA)
where:
Base-Base interactions energy: -176.753
where: short stacking energy: -97.555
Base-Backbone interact. energy: 0.236
local terms energy: -145.629474
where:
bonds (distance) C4'-P energy: -45.277
bonds (distance) P-C4' energy: -43.624
flat angles C4'-P-C4' energy: -22.930
flat angles P-C4'-P energy: -29.488
tors. eta vs tors. theta energy: -4.310
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: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -269.844352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.844352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.844352 (E_RNA)
where:
Base-Base interactions energy: -163.243
where: short stacking energy: -92.786
Base-Backbone interact. energy: -1.535
local terms energy: -105.066492
where:
bonds (distance) C4'-P energy: -35.502
bonds (distance) P-C4' energy: -34.230
flat angles C4'-P-C4' energy: -23.258
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -854.149967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.149967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.149967 (E_RNA)
where:
Base-Base interactions energy: -594.573
where: short stacking energy: -250.819
Base-Backbone interact. energy: -0.948
local terms energy: -258.629293
where:
bonds (distance) C4'-P energy: -47.021
bonds (distance) P-C4' energy: -43.619
flat angles C4'-P-C4' energy: -53.202
flat angles P-C4'-P energy: -35.527
tors. eta vs tors. theta energy: -79.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -813.818241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.818241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.818241 (E_RNA)
where:
Base-Base interactions energy: -575.150
where: short stacking energy: -251.451
Base-Backbone interact. energy: -1.405
local terms energy: -237.262806
where:
bonds (distance) C4'-P energy: -43.746
bonds (distance) P-C4' energy: -40.264
flat angles C4'-P-C4' energy: -52.724
flat angles P-C4'-P energy: -28.901
tors. eta vs tors. theta energy: -71.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -765.893056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.893056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.893056 (E_RNA)
where:
Base-Base interactions energy: -531.409
where: short stacking energy: -200.822
Base-Backbone interact. energy: -0.042
local terms energy: -234.442576
where:
bonds (distance) C4'-P energy: -46.344
bonds (distance) P-C4' energy: -42.210
flat angles C4'-P-C4' energy: -47.326
flat angles P-C4'-P energy: -37.710
tors. eta vs tors. theta energy: -60.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -755.338374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.338374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.338374 (E_RNA)
where:
Base-Base interactions energy: -516.746
where: short stacking energy: -218.434
Base-Backbone interact. energy: -0.493
local terms energy: -238.099721
where:
bonds (distance) C4'-P energy: -42.227
bonds (distance) P-C4' energy: -46.213
flat angles C4'-P-C4' energy: -55.693
flat angles P-C4'-P energy: -29.631
tors. eta vs tors. theta energy: -64.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -638.786088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.786088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.786088 (E_RNA)
where:
Base-Base interactions energy: -430.833
where: short stacking energy: -190.047
Base-Backbone interact. energy: -2.739
local terms energy: -205.214163
where:
bonds (distance) C4'-P energy: -41.048
bonds (distance) P-C4' energy: -47.001
flat angles C4'-P-C4' energy: -44.930
flat angles P-C4'-P energy: -27.589
tors. eta vs tors. theta energy: -44.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -625.018599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.018599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.018599 (E_RNA)
where:
Base-Base interactions energy: -412.333
where: short stacking energy: -196.563
Base-Backbone interact. energy: -0.310
local terms energy: -212.375192
where:
bonds (distance) C4'-P energy: -36.560
bonds (distance) P-C4' energy: -46.393
flat angles C4'-P-C4' energy: -49.577
flat angles P-C4'-P energy: -23.101
tors. eta vs tors. theta energy: -56.744
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: 2
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -610.052295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.052295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.052295 (E_RNA)
where:
Base-Base interactions energy: -406.677
where: short stacking energy: -173.759
Base-Backbone interact. energy: -0.601
local terms energy: -202.775129
where:
bonds (distance) C4'-P energy: -43.596
bonds (distance) P-C4' energy: -47.201
flat angles C4'-P-C4' energy: -46.018
flat angles P-C4'-P energy: -24.764
tors. eta vs tors. theta energy: -41.197
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: 222
Temperature: 1.250000
Total energy: -589.709479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.709479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.709479 (E_RNA)
where:
Base-Base interactions energy: -399.597
where: short stacking energy: -170.672
Base-Backbone interact. energy: -0.693
local terms energy: -189.419463
where:
bonds (distance) C4'-P energy: -34.956
bonds (distance) P-C4' energy: -38.492
flat angles C4'-P-C4' energy: -41.818
flat angles P-C4'-P energy: -33.815
tors. eta vs tors. theta energy: -40.339
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: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -339.166217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.166217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.166217 (E_RNA)
where:
Base-Base interactions energy: -183.876
where: short stacking energy: -105.482
Base-Backbone interact. energy: 1.586
local terms energy: -156.876334
where:
bonds (distance) C4'-P energy: -43.804
bonds (distance) P-C4' energy: -46.679
flat angles C4'-P-C4' energy: -33.568
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: -10.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -305.526207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.526207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.526207 (E_RNA)
where:
Base-Base interactions energy: -166.437
where: short stacking energy: -104.433
Base-Backbone interact. energy: -0.407
local terms energy: -138.681641
where:
bonds (distance) C4'-P energy: -36.752
bonds (distance) P-C4' energy: -36.327
flat angles C4'-P-C4' energy: -32.292
flat angles P-C4'-P energy: -18.889
tors. eta vs tors. theta energy: -14.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -856.365047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.365047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.365047 (E_RNA)
where:
Base-Base interactions energy: -590.413
where: short stacking energy: -264.090
Base-Backbone interact. energy: -0.599
local terms energy: -265.353526
where:
bonds (distance) C4'-P energy: -44.621
bonds (distance) P-C4' energy: -49.558
flat angles C4'-P-C4' energy: -54.651
flat angles P-C4'-P energy: -41.618
tors. eta vs tors. theta energy: -74.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -818.773517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.773517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.773517 (E_RNA)
where:
Base-Base interactions energy: -563.518
where: short stacking energy: -230.688
Base-Backbone interact. energy: -1.242
local terms energy: -254.013674
where:
bonds (distance) C4'-P energy: -52.329
bonds (distance) P-C4' energy: -51.395
flat angles C4'-P-C4' energy: -51.644
flat angles P-C4'-P energy: -32.680
tors. eta vs tors. theta energy: -65.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -776.701700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.701700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.701700 (E_RNA)
where:
Base-Base interactions energy: -539.617
where: short stacking energy: -221.436
Base-Backbone interact. energy: -0.320
local terms energy: -236.765203
where:
bonds (distance) C4'-P energy: -48.821
bonds (distance) P-C4' energy: -45.418
flat angles C4'-P-C4' energy: -46.278
flat angles P-C4'-P energy: -37.499
tors. eta vs tors. theta energy: -58.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -735.845115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.845115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.845115 (E_RNA)
where:
Base-Base interactions energy: -513.533
where: short stacking energy: -211.360
Base-Backbone interact. energy: -0.469
local terms energy: -221.843405
where:
bonds (distance) C4'-P energy: -38.288
bonds (distance) P-C4' energy: -38.923
flat angles C4'-P-C4' energy: -50.172
flat angles P-C4'-P energy: -31.693
tors. eta vs tors. theta energy: -62.766
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: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -694.841856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.841856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.841856 (E_RNA)
where:
Base-Base interactions energy: -476.147
where: short stacking energy: -216.054
Base-Backbone interact. energy: -0.797
local terms energy: -217.897112
where:
bonds (distance) C4'-P energy: -40.741
bonds (distance) P-C4' energy: -42.126
flat angles C4'-P-C4' energy: -50.187
flat angles P-C4'-P energy: -26.812
tors. eta vs tors. theta energy: -58.030
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: 223
Temperature: 1.150000
Total energy: -601.496416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.496416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.496416 (E_RNA)
where:
Base-Base interactions energy: -400.190
where: short stacking energy: -177.617
Base-Backbone interact. energy: -0.876
local terms energy: -200.431337
where:
bonds (distance) C4'-P energy: -42.249
bonds (distance) P-C4' energy: -33.822
flat angles C4'-P-C4' energy: -47.077
flat angles P-C4'-P energy: -31.543
tors. eta vs tors. theta energy: -45.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -627.480829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.480829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.480829 (E_RNA)
where:
Base-Base interactions energy: -431.327
where: short stacking energy: -195.094
Base-Backbone interact. energy: -1.135
local terms energy: -195.018532
where:
bonds (distance) C4'-P energy: -33.514
bonds (distance) P-C4' energy: -43.702
flat angles C4'-P-C4' energy: -38.030
flat angles P-C4'-P energy: -31.893
tors. eta vs tors. theta energy: -47.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -585.562888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.562888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.562888 (E_RNA)
where:
Base-Base interactions energy: -397.859
where: short stacking energy: -180.808
Base-Backbone interact. energy: -0.190
local terms energy: -187.513963
where:
bonds (distance) C4'-P energy: -42.485
bonds (distance) P-C4' energy: -32.735
flat angles C4'-P-C4' energy: -45.832
flat angles P-C4'-P energy: -23.097
tors. eta vs tors. theta energy: -43.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -250.390204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.390204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.390204 (E_RNA)
where:
Base-Base interactions energy: -118.630
where: short stacking energy: -96.411
Base-Backbone interact. energy: 1.148
local terms energy: -132.908491
where:
bonds (distance) C4'-P energy: -34.690
bonds (distance) P-C4' energy: -35.781
flat angles C4'-P-C4' energy: -36.137
flat angles P-C4'-P energy: -21.546
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -299.281850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.281850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.281850 (E_RNA)
where:
Base-Base interactions energy: -150.788
where: short stacking energy: -87.774
Base-Backbone interact. energy: 0.670
local terms energy: -149.163998
where:
bonds (distance) C4'-P energy: -32.792
bonds (distance) P-C4' energy: -41.558
flat angles C4'-P-C4' energy: -46.446
flat angles P-C4'-P energy: -22.613
tors. eta vs tors. theta energy: -5.756
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: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -828.913110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.913110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.913110 (E_RNA)
where:
Base-Base interactions energy: -582.062
where: short stacking energy: -235.587
Base-Backbone interact. energy: -0.305
local terms energy: -246.546115
where:
bonds (distance) C4'-P energy: -43.067
bonds (distance) P-C4' energy: -43.340
flat angles C4'-P-C4' energy: -56.195
flat angles P-C4'-P energy: -34.571
tors. eta vs tors. theta energy: -69.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -836.586802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.586802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.586802 (E_RNA)
where:
Base-Base interactions energy: -572.680
where: short stacking energy: -249.705
Base-Backbone interact. energy: -0.557
local terms energy: -263.350000
where:
bonds (distance) C4'-P energy: -45.587
bonds (distance) P-C4' energy: -45.962
flat angles C4'-P-C4' energy: -52.243
flat angles P-C4'-P energy: -42.957
tors. eta vs tors. theta energy: -76.601
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: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -771.744618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.744618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.744618 (E_RNA)
where:
Base-Base interactions energy: -525.784
where: short stacking energy: -229.463
Base-Backbone interact. energy: -1.750
local terms energy: -244.210811
where:
bonds (distance) C4'-P energy: -48.699
bonds (distance) P-C4' energy: -46.821
flat angles C4'-P-C4' energy: -44.932
flat angles P-C4'-P energy: -35.951
tors. eta vs tors. theta energy: -67.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -769.831369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.831369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.831369 (E_RNA)
where:
Base-Base interactions energy: -536.692
where: short stacking energy: -223.334
Base-Backbone interact. energy: -0.054
local terms energy: -233.085166
where:
bonds (distance) C4'-P energy: -38.914
bonds (distance) P-C4' energy: -49.776
flat angles C4'-P-C4' energy: -44.612
flat angles P-C4'-P energy: -37.228
tors. eta vs tors. theta energy: -62.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -683.602392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.602392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.602392 (E_RNA)
where:
Base-Base interactions energy: -470.629
where: short stacking energy: -181.036
Base-Backbone interact. energy: 0.519
local terms energy: -213.492393
where:
bonds (distance) C4'-P energy: -41.564
bonds (distance) P-C4' energy: -44.781
flat angles C4'-P-C4' energy: -50.695
flat angles P-C4'-P energy: -28.386
tors. eta vs tors. theta energy: -48.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -677.529704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.529704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.529704 (E_RNA)
where:
Base-Base interactions energy: -461.947
where: short stacking energy: -208.592
Base-Backbone interact. energy: -0.937
local terms energy: -214.645662
where:
bonds (distance) C4'-P energy: -28.305
bonds (distance) P-C4' energy: -45.232
flat angles C4'-P-C4' energy: -42.988
flat angles P-C4'-P energy: -35.626
tors. eta vs tors. theta energy: -62.495
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: 3
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -613.970947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.970947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.970947 (E_RNA)
where:
Base-Base interactions energy: -430.350
where: short stacking energy: -195.703
Base-Backbone interact. energy: 1.743
local terms energy: -185.364792
where:
bonds (distance) C4'-P energy: -27.590
bonds (distance) P-C4' energy: -39.353
flat angles C4'-P-C4' energy: -43.419
flat angles P-C4'-P energy: -30.637
tors. eta vs tors. theta energy: -44.366
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: 2
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -601.027076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.027076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.027076 (E_RNA)
where:
Base-Base interactions energy: -388.174
where: short stacking energy: -176.409
Base-Backbone interact. energy: -1.144
local terms energy: -211.709696
where:
bonds (distance) C4'-P energy: -42.380
bonds (distance) P-C4' energy: -50.082
flat angles C4'-P-C4' energy: -50.398
flat angles P-C4'-P energy: -25.871
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: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -320.721539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.721539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.721539 (E_RNA)
where:
Base-Base interactions energy: -166.211
where: short stacking energy: -87.125
Base-Backbone interact. energy: -0.894
local terms energy: -153.616370
where:
bonds (distance) C4'-P energy: -44.203
bonds (distance) P-C4' energy: -38.421
flat angles C4'-P-C4' energy: -45.760
flat angles P-C4'-P energy: -22.916
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -253.607029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.607029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.607029 (E_RNA)
where:
Base-Base interactions energy: -116.639
where: short stacking energy: -86.992
Base-Backbone interact. energy: 0.425
local terms energy: -137.393501
where:
bonds (distance) C4'-P energy: -39.628
bonds (distance) P-C4' energy: -28.667
flat angles C4'-P-C4' energy: -44.657
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -843.677893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.677893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.677893 (E_RNA)
where:
Base-Base interactions energy: -587.797
where: short stacking energy: -228.519
Base-Backbone interact. energy: -0.942
local terms energy: -254.939075
where:
bonds (distance) C4'-P energy: -48.257
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -50.462
flat angles P-C4'-P energy: -36.476
tors. eta vs tors. theta energy: -72.327
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: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -829.933507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.933507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.933507 (E_RNA)
where:
Base-Base interactions energy: -557.904
where: short stacking energy: -244.845
Base-Backbone interact. energy: -1.682
local terms energy: -270.346969
where:
bonds (distance) C4'-P energy: -48.280
bonds (distance) P-C4' energy: -51.349
flat angles C4'-P-C4' energy: -55.639
flat angles P-C4'-P energy: -35.378
tors. eta vs tors. theta energy: -79.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -771.482097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.482097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.482097 (E_RNA)
where:
Base-Base interactions energy: -524.919
where: short stacking energy: -228.583
Base-Backbone interact. energy: -1.208
local terms energy: -245.354483
where:
bonds (distance) C4'-P energy: -49.977
bonds (distance) P-C4' energy: -45.555
flat angles C4'-P-C4' energy: -50.047
flat angles P-C4'-P energy: -33.906
tors. eta vs tors. theta energy: -65.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -772.362621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.362621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.362621 (E_RNA)
where:
Base-Base interactions energy: -532.082
where: short stacking energy: -220.185
Base-Backbone interact. energy: -2.925
local terms energy: -237.355369
where:
bonds (distance) C4'-P energy: -45.237
bonds (distance) P-C4' energy: -49.456
flat angles C4'-P-C4' energy: -44.692
flat angles P-C4'-P energy: -30.489
tors. eta vs tors. theta energy: -67.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -667.272367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.272367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.272367 (E_RNA)
where:
Base-Base interactions energy: -452.786
where: short stacking energy: -185.059
Base-Backbone interact. energy: -1.250
local terms energy: -213.235977
where:
bonds (distance) C4'-P energy: -40.982
bonds (distance) P-C4' energy: -44.114
flat angles C4'-P-C4' energy: -47.191
flat angles P-C4'-P energy: -28.927
tors. eta vs tors. theta energy: -52.023
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: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -675.020143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.020143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.020143 (E_RNA)
where:
Base-Base interactions energy: -460.689
where: short stacking energy: -211.021
Base-Backbone interact. energy: -0.294
local terms energy: -214.036923
where:
bonds (distance) C4'-P energy: -35.217
bonds (distance) P-C4' energy: -44.122
flat angles C4'-P-C4' energy: -39.438
flat angles P-C4'-P energy: -29.652
tors. eta vs tors. theta energy: -65.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -605.427250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.427250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.427250 (E_RNA)
where:
Base-Base interactions energy: -414.854
where: short stacking energy: -190.910
Base-Backbone interact. energy: -0.808
local terms energy: -189.765313
where:
bonds (distance) C4'-P energy: -30.906
bonds (distance) P-C4' energy: -41.612
flat angles C4'-P-C4' energy: -45.727
flat angles P-C4'-P energy: -20.088
tors. eta vs tors. theta energy: -51.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -618.495719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.495719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.495719 (E_RNA)
where:
Base-Base interactions energy: -432.576
where: short stacking energy: -170.905
Base-Backbone interact. energy: -1.506
local terms energy: -184.414496
where:
bonds (distance) C4'-P energy: -41.413
bonds (distance) P-C4' energy: -40.370
flat angles C4'-P-C4' energy: -40.331
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -46.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -368.855885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.855885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.855885 (E_RNA)
where:
Base-Base interactions energy: -228.256
where: short stacking energy: -133.516
Base-Backbone interact. energy: -0.873
local terms energy: -139.727700
where:
bonds (distance) C4'-P energy: -29.248
bonds (distance) P-C4' energy: -33.943
flat angles C4'-P-C4' energy: -39.378
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -202.370578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.370578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.370578 (E_RNA)
where:
Base-Base interactions energy: -89.997
where: short stacking energy: -54.642
Base-Backbone interact. energy: 0.643
local terms energy: -113.015953
where:
bonds (distance) C4'-P energy: -37.564
bonds (distance) P-C4' energy: -40.794
flat angles C4'-P-C4' energy: -29.221
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: 12.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -838.136569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.136569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.136569 (E_RNA)
where:
Base-Base interactions energy: -579.389
where: short stacking energy: -238.328
Base-Backbone interact. energy: -1.312
local terms energy: -257.435239
where:
bonds (distance) C4'-P energy: -50.122
bonds (distance) P-C4' energy: -44.787
flat angles C4'-P-C4' energy: -53.330
flat angles P-C4'-P energy: -42.280
tors. eta vs tors. theta energy: -66.916
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: 5
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -835.579955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.579955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.579955 (E_RNA)
where:
Base-Base interactions energy: -583.449
where: short stacking energy: -246.301
Base-Backbone interact. energy: -0.773
local terms energy: -251.358212
where:
bonds (distance) C4'-P energy: -48.104
bonds (distance) P-C4' energy: -44.763
flat angles C4'-P-C4' energy: -51.679
flat angles P-C4'-P energy: -30.460
tors. eta vs tors. theta energy: -76.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -796.552411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.552411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.552411 (E_RNA)
where:
Base-Base interactions energy: -543.966
where: short stacking energy: -228.669
Base-Backbone interact. energy: 1.584
local terms energy: -254.170265
where:
bonds (distance) C4'-P energy: -44.740
bonds (distance) P-C4' energy: -52.149
flat angles C4'-P-C4' energy: -50.920
flat angles P-C4'-P energy: -36.880
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: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -762.951162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.951162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.951162 (E_RNA)
where:
Base-Base interactions energy: -528.061
where: short stacking energy: -220.917
Base-Backbone interact. energy: -1.019
local terms energy: -233.871076
where:
bonds (distance) C4'-P energy: -42.443
bonds (distance) P-C4' energy: -41.276
flat angles C4'-P-C4' energy: -46.812
flat angles P-C4'-P energy: -36.476
tors. eta vs tors. theta energy: -66.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -683.679416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.679416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.679416 (E_RNA)
where:
Base-Base interactions energy: -463.770
where: short stacking energy: -207.075
Base-Backbone interact. energy: -0.406
local terms energy: -219.504077
where:
bonds (distance) C4'-P energy: -45.432
bonds (distance) P-C4' energy: -45.275
flat angles C4'-P-C4' energy: -50.255
flat angles P-C4'-P energy: -25.331
tors. eta vs tors. theta energy: -53.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -672.778839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.778839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.778839 (E_RNA)
where:
Base-Base interactions energy: -458.392
where: short stacking energy: -175.395
Base-Backbone interact. energy: -2.461
local terms energy: -211.925646
where:
bonds (distance) C4'-P energy: -35.345
bonds (distance) P-C4' energy: -50.089
flat angles C4'-P-C4' energy: -44.561
flat angles P-C4'-P energy: -36.328
tors. eta vs tors. theta energy: -45.603
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: 3
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -624.617930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.617930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.617930 (E_RNA)
where:
Base-Base interactions energy: -423.745
where: short stacking energy: -194.392
Base-Backbone interact. energy: -1.104
local terms energy: -199.768085
where:
bonds (distance) C4'-P energy: -31.860
bonds (distance) P-C4' energy: -45.109
flat angles C4'-P-C4' energy: -47.570
flat angles P-C4'-P energy: -30.425
tors. eta vs tors. theta energy: -44.804
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: 2
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -586.171333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.171333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.171333 (E_RNA)
where:
Base-Base interactions energy: -398.823
where: short stacking energy: -171.776
Base-Backbone interact. energy: -0.312
local terms energy: -187.036879
where:
bonds (distance) C4'-P energy: -37.006
bonds (distance) P-C4' energy: -42.014
flat angles C4'-P-C4' energy: -37.574
flat angles P-C4'-P energy: -29.562
tors. eta vs tors. theta energy: -40.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -346.688076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.688076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.688076 (E_RNA)
where:
Base-Base interactions energy: -175.510
where: short stacking energy: -99.355
Base-Backbone interact. energy: -0.378
local terms energy: -170.799919
where:
bonds (distance) C4'-P energy: -44.121
bonds (distance) P-C4' energy: -39.892
flat angles C4'-P-C4' energy: -44.515
flat angles P-C4'-P energy: -29.190
tors. eta vs tors. theta energy: -13.082
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: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -207.108720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.108720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.108720 (E_RNA)
where:
Base-Base interactions energy: -77.477
where: short stacking energy: -75.870
Base-Backbone interact. energy: 0.119
local terms energy: -129.750768
where:
bonds (distance) C4'-P energy: -40.832
bonds (distance) P-C4' energy: -38.607
flat angles C4'-P-C4' energy: -35.467
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: 1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -839.038236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.038236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.038236 (E_RNA)
where:
Base-Base interactions energy: -586.513
where: short stacking energy: -244.793
Base-Backbone interact. energy: -0.880
local terms energy: -251.645514
where:
bonds (distance) C4'-P energy: -47.971
bonds (distance) P-C4' energy: -50.257
flat angles C4'-P-C4' energy: -49.240
flat angles P-C4'-P energy: -35.983
tors. eta vs tors. theta energy: -68.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -842.998139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.998139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.998139 (E_RNA)
where:
Base-Base interactions energy: -583.333
where: short stacking energy: -256.774
Base-Backbone interact. energy: -1.012
local terms energy: -258.652717
where:
bonds (distance) C4'-P energy: -45.958
bonds (distance) P-C4' energy: -46.281
flat angles C4'-P-C4' energy: -49.721
flat angles P-C4'-P energy: -34.102
tors. eta vs tors. theta energy: -82.591
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: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -795.071927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.071927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.071927 (E_RNA)
where:
Base-Base interactions energy: -549.228
where: short stacking energy: -235.394
Base-Backbone interact. energy: -0.133
local terms energy: -245.710933
where:
bonds (distance) C4'-P energy: -42.536
bonds (distance) P-C4' energy: -39.881
flat angles C4'-P-C4' energy: -53.101
flat angles P-C4'-P energy: -39.355
tors. eta vs tors. theta energy: -70.837
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: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -777.787383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.787383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.787383 (E_RNA)
where:
Base-Base interactions energy: -541.899
where: short stacking energy: -227.796
Base-Backbone interact. energy: 0.510
local terms energy: -236.397773
where:
bonds (distance) C4'-P energy: -37.468
bonds (distance) P-C4' energy: -45.088
flat angles C4'-P-C4' energy: -56.589
flat angles P-C4'-P energy: -36.619
tors. eta vs tors. theta energy: -60.635
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: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -718.281657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.281657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.281657 (E_RNA)
where:
Base-Base interactions energy: -487.198
where: short stacking energy: -220.193
Base-Backbone interact. energy: -0.318
local terms energy: -230.764729
where:
bonds (distance) C4'-P energy: -35.710
bonds (distance) P-C4' energy: -46.938
flat angles C4'-P-C4' energy: -52.610
flat angles P-C4'-P energy: -31.885
tors. eta vs tors. theta energy: -63.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -667.303012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.303012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.303012 (E_RNA)
where:
Base-Base interactions energy: -454.830
where: short stacking energy: -182.890
Base-Backbone interact. energy: -0.662
local terms energy: -211.810487
where:
bonds (distance) C4'-P energy: -42.685
bonds (distance) P-C4' energy: -35.436
flat angles C4'-P-C4' energy: -42.061
flat angles P-C4'-P energy: -36.905
tors. eta vs tors. theta energy: -54.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -638.151977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.151977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.151977 (E_RNA)
where:
Base-Base interactions energy: -432.790
where: short stacking energy: -172.780
Base-Backbone interact. energy: -2.115
local terms energy: -203.247050
where:
bonds (distance) C4'-P energy: -36.142
bonds (distance) P-C4' energy: -47.337
flat angles C4'-P-C4' energy: -43.593
flat angles P-C4'-P energy: -24.740
tors. eta vs tors. theta energy: -51.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -590.077482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.077482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.077482 (E_RNA)
where:
Base-Base interactions energy: -395.997
where: short stacking energy: -165.110
Base-Backbone interact. energy: -0.309
local terms energy: -193.771463
where:
bonds (distance) C4'-P energy: -40.606
bonds (distance) P-C4' energy: -45.585
flat angles C4'-P-C4' energy: -37.869
flat angles P-C4'-P energy: -24.817
tors. eta vs tors. theta energy: -44.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -318.031320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.031320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.031320 (E_RNA)
where:
Base-Base interactions energy: -176.517
where: short stacking energy: -79.344
Base-Backbone interact. energy: 3.292
local terms energy: -144.805623
where:
bonds (distance) C4'-P energy: -35.623
bonds (distance) P-C4' energy: -39.889
flat angles C4'-P-C4' energy: -39.232
flat angles P-C4'-P energy: -24.321
tors. eta vs tors. theta energy: -5.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -205.660826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.660826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.660826 (E_RNA)
where:
Base-Base interactions energy: -78.145
where: short stacking energy: -67.779
Base-Backbone interact. energy: -0.700
local terms energy: -126.815819
where:
bonds (distance) C4'-P energy: -33.426
bonds (distance) P-C4' energy: -33.639
flat angles C4'-P-C4' energy: -29.145
flat angles P-C4'-P energy: -31.424
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -852.666056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.666056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.666056 (E_RNA)
where:
Base-Base interactions energy: -589.539
where: short stacking energy: -268.343
Base-Backbone interact. energy: -0.300
local terms energy: -262.826986
where:
bonds (distance) C4'-P energy: -44.957
bonds (distance) P-C4' energy: -43.056
flat angles C4'-P-C4' energy: -55.606
flat angles P-C4'-P energy: -42.623
tors. eta vs tors. theta energy: -76.585
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: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -819.325107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.325107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.325107 (E_RNA)
where:
Base-Base interactions energy: -569.489
where: short stacking energy: -238.765
Base-Backbone interact. energy: -0.897
local terms energy: -248.939183
where:
bonds (distance) C4'-P energy: -53.789
bonds (distance) P-C4' energy: -46.258
flat angles C4'-P-C4' energy: -50.281
flat angles P-C4'-P energy: -35.702
tors. eta vs tors. theta energy: -62.909
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: 3, replica: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -795.004369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.004369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.004369 (E_RNA)
where:
Base-Base interactions energy: -552.207
where: short stacking energy: -233.125
Base-Backbone interact. energy: -1.187
local terms energy: -241.609912
where:
bonds (distance) C4'-P energy: -30.566
bonds (distance) P-C4' energy: -48.418
flat angles C4'-P-C4' energy: -57.433
flat angles P-C4'-P energy: -37.808
tors. eta vs tors. theta energy: -67.384
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: 1
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -787.665152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.665152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.665152 (E_RNA)
where:
Base-Base interactions energy: -545.283
where: short stacking energy: -231.976
Base-Backbone interact. energy: -0.728
local terms energy: -241.654294
where:
bonds (distance) C4'-P energy: -42.341
bonds (distance) P-C4' energy: -47.931
flat angles C4'-P-C4' energy: -51.488
flat angles P-C4'-P energy: -35.535
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: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -709.061298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.061298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.061298 (E_RNA)
where:
Base-Base interactions energy: -491.424
where: short stacking energy: -210.123
Base-Backbone interact. energy: 0.029
local terms energy: -217.666137
where:
bonds (distance) C4'-P energy: -38.591
bonds (distance) P-C4' energy: -38.328
flat angles C4'-P-C4' energy: -48.752
flat angles P-C4'-P energy: -29.248
tors. eta vs tors. theta energy: -62.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -708.229626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.229626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.229626 (E_RNA)
where:
Base-Base interactions energy: -483.225
where: short stacking energy: -215.683
Base-Backbone interact. energy: -0.342
local terms energy: -224.662151
where:
bonds (distance) C4'-P energy: -46.889
bonds (distance) P-C4' energy: -38.631
flat angles C4'-P-C4' energy: -50.001
flat angles P-C4'-P energy: -29.292
tors. eta vs tors. theta energy: -59.849
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: 228
Temperature: 1.200000
Total energy: -643.107122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.107122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.107122 (E_RNA)
where:
Base-Base interactions energy: -427.792
where: short stacking energy: -191.329
Base-Backbone interact. energy: 0.402
local terms energy: -215.716833
where:
bonds (distance) C4'-P energy: -50.644
bonds (distance) P-C4' energy: -37.880
flat angles C4'-P-C4' energy: -49.052
flat angles P-C4'-P energy: -27.981
tors. eta vs tors. theta energy: -50.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -597.409488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.409488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.409488 (E_RNA)
where:
Base-Base interactions energy: -395.458
where: short stacking energy: -180.918
Base-Backbone interact. energy: -1.100
local terms energy: -200.851777
where:
bonds (distance) C4'-P energy: -41.050
bonds (distance) P-C4' energy: -40.709
flat angles C4'-P-C4' energy: -42.138
flat angles P-C4'-P energy: -28.338
tors. eta vs tors. theta energy: -48.618
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: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -322.542111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.542111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.542111 (E_RNA)
where:
Base-Base interactions energy: -177.854
where: short stacking energy: -87.984
Base-Backbone interact. energy: -0.145
local terms energy: -144.543043
where:
bonds (distance) C4'-P energy: -34.357
bonds (distance) P-C4' energy: -45.911
flat angles C4'-P-C4' energy: -39.792
flat angles P-C4'-P energy: -19.229
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -208.816922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.816922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.816922 (E_RNA)
where:
Base-Base interactions energy: -76.996
where: short stacking energy: -72.442
Base-Backbone interact. energy: -1.227
local terms energy: -130.593515
where:
bonds (distance) C4'-P energy: -32.274
bonds (distance) P-C4' energy: -38.489
flat angles C4'-P-C4' energy: -32.500
flat angles P-C4'-P energy: -25.550
tors. eta vs tors. theta energy: -1.781
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: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -869.146591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.146591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.146591 (E_RNA)
where:
Base-Base interactions energy: -596.721
where: short stacking energy: -260.699
Base-Backbone interact. energy: -0.710
local terms energy: -271.715158
where:
bonds (distance) C4'-P energy: -48.352
bonds (distance) P-C4' energy: -44.039
flat angles C4'-P-C4' energy: -60.675
flat angles P-C4'-P energy: -38.060
tors. eta vs tors. theta energy: -80.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -814.365425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.365425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.365425 (E_RNA)
where:
Base-Base interactions energy: -573.364
where: short stacking energy: -231.103
Base-Backbone interact. energy: -1.034
local terms energy: -239.967418
where:
bonds (distance) C4'-P energy: -45.709
bonds (distance) P-C4' energy: -47.272
flat angles C4'-P-C4' energy: -54.361
flat angles P-C4'-P energy: -30.506
tors. eta vs tors. theta energy: -62.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -777.379614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.379614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.379614 (E_RNA)
where:
Base-Base interactions energy: -536.179
where: short stacking energy: -224.395
Base-Backbone interact. energy: -1.602
local terms energy: -239.598905
where:
bonds (distance) C4'-P energy: -47.505
bonds (distance) P-C4' energy: -43.175
flat angles C4'-P-C4' energy: -53.389
flat angles P-C4'-P energy: -34.870
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: 4, replica: 1
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -772.821892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.821892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.821892 (E_RNA)
where:
Base-Base interactions energy: -542.075
where: short stacking energy: -215.955
Base-Backbone interact. energy: -0.349
local terms energy: -230.398072
where:
bonds (distance) C4'-P energy: -49.036
bonds (distance) P-C4' energy: -43.203
flat angles C4'-P-C4' energy: -43.853
flat angles P-C4'-P energy: -28.802
tors. eta vs tors. theta energy: -65.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -717.045241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.045241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.045241 (E_RNA)
where:
Base-Base interactions energy: -500.097
where: short stacking energy: -218.754
Base-Backbone interact. energy: -2.078
local terms energy: -214.869921
where:
bonds (distance) C4'-P energy: -36.921
bonds (distance) P-C4' energy: -49.626
flat angles C4'-P-C4' energy: -48.395
flat angles P-C4'-P energy: -27.688
tors. eta vs tors. theta energy: -52.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -689.695563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.695563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.695563 (E_RNA)
where:
Base-Base interactions energy: -488.515
where: short stacking energy: -212.023
Base-Backbone interact. energy: 1.072
local terms energy: -202.252409
where:
bonds (distance) C4'-P energy: -38.673
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -44.873
flat angles P-C4'-P energy: -29.904
tors. eta vs tors. theta energy: -58.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -646.838102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.838102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.838102 (E_RNA)
where:
Base-Base interactions energy: -438.006
where: short stacking energy: -194.889
Base-Backbone interact. energy: -0.810
local terms energy: -208.022404
where:
bonds (distance) C4'-P energy: -33.858
bonds (distance) P-C4' energy: -42.913
flat angles C4'-P-C4' energy: -48.303
flat angles P-C4'-P energy: -35.371
tors. eta vs tors. theta energy: -47.578
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: 2
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -607.477470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.477470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.477470 (E_RNA)
where:
Base-Base interactions energy: -407.171
where: short stacking energy: -173.401
Base-Backbone interact. energy: -1.110
local terms energy: -199.195961
where:
bonds (distance) C4'-P energy: -45.719
bonds (distance) P-C4' energy: -25.122
flat angles C4'-P-C4' energy: -46.085
flat angles P-C4'-P energy: -37.357
tors. eta vs tors. theta energy: -44.912
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: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -316.897757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.897757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.897757 (E_RNA)
where:
Base-Base interactions energy: -175.782
where: short stacking energy: -94.912
Base-Backbone interact. energy: -0.527
local terms energy: -140.588565
where:
bonds (distance) C4'-P energy: -31.509
bonds (distance) P-C4' energy: -47.700
flat angles C4'-P-C4' energy: -28.384
flat angles P-C4'-P energy: -23.291
tors. eta vs tors. theta energy: -9.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -213.844748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.844748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.844748 (E_RNA)
where:
Base-Base interactions energy: -92.719
where: short stacking energy: -87.913
Base-Backbone interact. energy: -0.811
local terms energy: -120.314105
where:
bonds (distance) C4'-P energy: -34.723
bonds (distance) P-C4' energy: -37.909
flat angles C4'-P-C4' energy: -35.143
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: 1.654
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: 8
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -839.810407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.810407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.810407 (E_RNA)
where:
Base-Base interactions energy: -585.091
where: short stacking energy: -230.300
Base-Backbone interact. energy: -0.786
local terms energy: -253.932534
where:
bonds (distance) C4'-P energy: -50.477
bonds (distance) P-C4' energy: -53.974
flat angles C4'-P-C4' energy: -51.203
flat angles P-C4'-P energy: -36.757
tors. eta vs tors. theta energy: -61.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -838.433084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.433084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.433084 (E_RNA)
where:
Base-Base interactions energy: -588.957
where: short stacking energy: -258.753
Base-Backbone interact. energy: -1.287
local terms energy: -248.189019
where:
bonds (distance) C4'-P energy: -45.655
bonds (distance) P-C4' energy: -36.359
flat angles C4'-P-C4' energy: -51.421
flat angles P-C4'-P energy: -34.691
tors. eta vs tors. theta energy: -80.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -770.640001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.640001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.640001 (E_RNA)
where:
Base-Base interactions energy: -521.425
where: short stacking energy: -213.381
Base-Backbone interact. energy: -1.544
local terms energy: -247.670472
where:
bonds (distance) C4'-P energy: -54.625
bonds (distance) P-C4' energy: -49.069
flat angles C4'-P-C4' energy: -45.454
flat angles P-C4'-P energy: -30.416
tors. eta vs tors. theta energy: -68.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -756.950658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.950658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.950658 (E_RNA)
where:
Base-Base interactions energy: -529.890
where: short stacking energy: -229.237
Base-Backbone interact. energy: 0.078
local terms energy: -227.138904
where:
bonds (distance) C4'-P energy: -33.642
bonds (distance) P-C4' energy: -51.868
flat angles C4'-P-C4' energy: -48.015
flat angles P-C4'-P energy: -33.129
tors. eta vs tors. theta energy: -60.485
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: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -712.750891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.750891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.750891 (E_RNA)
where:
Base-Base interactions energy: -501.038
where: short stacking energy: -199.557
Base-Backbone interact. energy: -0.476
local terms energy: -211.236748
where:
bonds (distance) C4'-P energy: -48.839
bonds (distance) P-C4' energy: -36.356
flat angles C4'-P-C4' energy: -43.955
flat angles P-C4'-P energy: -31.035
tors. eta vs tors. theta energy: -51.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -680.363536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.363536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.363536 (E_RNA)
where:
Base-Base interactions energy: -453.670
where: short stacking energy: -207.668
Base-Backbone interact. energy: -0.984
local terms energy: -225.709936
where:
bonds (distance) C4'-P energy: -51.069
bonds (distance) P-C4' energy: -41.923
flat angles C4'-P-C4' energy: -51.271
flat angles P-C4'-P energy: -23.049
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: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -656.735332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.735332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.735332 (E_RNA)
where:
Base-Base interactions energy: -438.052
where: short stacking energy: -196.406
Base-Backbone interact. energy: -0.446
local terms energy: -218.237529
where:
bonds (distance) C4'-P energy: -49.701
bonds (distance) P-C4' energy: -44.155
flat angles C4'-P-C4' energy: -45.988
flat angles P-C4'-P energy: -29.683
tors. eta vs tors. theta energy: -48.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -582.343422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.343422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.343422 (E_RNA)
where:
Base-Base interactions energy: -393.431
where: short stacking energy: -163.813
Base-Backbone interact. energy: -0.597
local terms energy: -188.314943
where:
bonds (distance) C4'-P energy: -34.394
bonds (distance) P-C4' energy: -36.353
flat angles C4'-P-C4' energy: -37.954
flat angles P-C4'-P energy: -34.847
tors. eta vs tors. theta energy: -44.766
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: 230
Temperature: 1.300000
Total energy: -319.365398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.365398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.365398 (E_RNA)
where:
Base-Base interactions energy: -170.492
where: short stacking energy: -98.837
Base-Backbone interact. energy: -0.181
local terms energy: -148.693239
where:
bonds (distance) C4'-P energy: -30.360
bonds (distance) P-C4' energy: -32.187
flat angles C4'-P-C4' energy: -45.247
flat angles P-C4'-P energy: -31.237
tors. eta vs tors. theta energy: -9.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -197.242775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.242775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.242775 (E_RNA)
where:
Base-Base interactions energy: -64.195
where: short stacking energy: -62.187
Base-Backbone interact. energy: 0.218
local terms energy: -133.266064
where:
bonds (distance) C4'-P energy: -39.210
bonds (distance) P-C4' energy: -45.063
flat angles C4'-P-C4' energy: -29.574
flat angles P-C4'-P energy: -20.575
tors. eta vs tors. theta energy: 1.156
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: 8
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -844.387374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.387374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.387374 (E_RNA)
where:
Base-Base interactions energy: -582.041
where: short stacking energy: -244.280
Base-Backbone interact. energy: 0.182
local terms energy: -262.528196
where:
bonds (distance) C4'-P energy: -50.150
bonds (distance) P-C4' energy: -50.973
flat angles C4'-P-C4' energy: -54.796
flat angles P-C4'-P energy: -38.387
tors. eta vs tors. theta energy: -68.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -843.749025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.749025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.749025 (E_RNA)
where:
Base-Base interactions energy: -592.717
where: short stacking energy: -258.807
Base-Backbone interact. energy: -0.445
local terms energy: -250.586791
where:
bonds (distance) C4'-P energy: -40.424
bonds (distance) P-C4' energy: -37.153
flat angles C4'-P-C4' energy: -53.545
flat angles P-C4'-P energy: -41.622
tors. eta vs tors. theta energy: -77.843
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: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -782.483977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.483977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.483977 (E_RNA)
where:
Base-Base interactions energy: -539.831
where: short stacking energy: -230.563
Base-Backbone interact. energy: 0.822
local terms energy: -243.474753
where:
bonds (distance) C4'-P energy: -50.361
bonds (distance) P-C4' energy: -44.908
flat angles C4'-P-C4' energy: -49.889
flat angles P-C4'-P energy: -31.371
tors. eta vs tors. theta energy: -66.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -756.212637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.212637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.212637 (E_RNA)
where:
Base-Base interactions energy: -527.556
where: short stacking energy: -227.340
Base-Backbone interact. energy: -1.627
local terms energy: -227.030340
where:
bonds (distance) C4'-P energy: -45.793
bonds (distance) P-C4' energy: -41.300
flat angles C4'-P-C4' energy: -48.396
flat angles P-C4'-P energy: -28.128
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: 5, replica: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -701.232304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.232304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.232304 (E_RNA)
where:
Base-Base interactions energy: -491.977
where: short stacking energy: -215.215
Base-Backbone interact. energy: -0.366
local terms energy: -208.889167
where:
bonds (distance) C4'-P energy: -36.696
bonds (distance) P-C4' energy: -35.538
flat angles C4'-P-C4' energy: -52.528
flat angles P-C4'-P energy: -28.384
tors. eta vs tors. theta energy: -55.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -657.397803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.397803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.397803 (E_RNA)
where:
Base-Base interactions energy: -451.595
where: short stacking energy: -199.716
Base-Backbone interact. energy: 0.010
local terms energy: -205.813504
where:
bonds (distance) C4'-P energy: -31.519
bonds (distance) P-C4' energy: -45.168
flat angles C4'-P-C4' energy: -45.277
flat angles P-C4'-P energy: -29.324
tors. eta vs tors. theta energy: -54.525
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: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -637.640863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.640863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.640863 (E_RNA)
where:
Base-Base interactions energy: -437.967
where: short stacking energy: -204.316
Base-Backbone interact. energy: -0.714
local terms energy: -198.959068
where:
bonds (distance) C4'-P energy: -38.835
bonds (distance) P-C4' energy: -42.764
flat angles C4'-P-C4' energy: -41.733
flat angles P-C4'-P energy: -22.587
tors. eta vs tors. theta energy: -53.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -577.488103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.488103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.488103 (E_RNA)
where:
Base-Base interactions energy: -395.040
where: short stacking energy: -172.463
Base-Backbone interact. energy: -0.990
local terms energy: -181.457516
where:
bonds (distance) C4'-P energy: -39.364
bonds (distance) P-C4' energy: -44.962
flat angles C4'-P-C4' energy: -25.993
flat angles P-C4'-P energy: -32.273
tors. eta vs tors. theta energy: -38.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -343.987633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.987633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.987633 (E_RNA)
where:
Base-Base interactions energy: -182.678
where: short stacking energy: -111.809
Base-Backbone interact. energy: -2.399
local terms energy: -158.910004
where:
bonds (distance) C4'-P energy: -39.061
bonds (distance) P-C4' energy: -36.837
flat angles C4'-P-C4' energy: -39.785
flat angles P-C4'-P energy: -27.192
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -207.077569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.077569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.077569 (E_RNA)
where:
Base-Base interactions energy: -75.470
where: short stacking energy: -64.389
Base-Backbone interact. energy: 0.176
local terms energy: -131.783438
where:
bonds (distance) C4'-P energy: -48.496
bonds (distance) P-C4' energy: -43.176
flat angles C4'-P-C4' energy: -26.640
flat angles P-C4'-P energy: -23.960
tors. eta vs tors. theta energy: 10.489
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: 1, replica: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -844.767058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.767058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.767058 (E_RNA)
where:
Base-Base interactions energy: -595.670
where: short stacking energy: -241.863
Base-Backbone interact. energy: 2.644
local terms energy: -251.741069
where:
bonds (distance) C4'-P energy: -46.152
bonds (distance) P-C4' energy: -47.317
flat angles C4'-P-C4' energy: -53.820
flat angles P-C4'-P energy: -34.741
tors. eta vs tors. theta energy: -69.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -839.145884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.145884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.145884 (E_RNA)
where:
Base-Base interactions energy: -588.148
where: short stacking energy: -261.383
Base-Backbone interact. energy: -0.380
local terms energy: -250.618085
where:
bonds (distance) C4'-P energy: -38.036
bonds (distance) P-C4' energy: -47.644
flat angles C4'-P-C4' energy: -53.008
flat angles P-C4'-P energy: -36.818
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: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -781.851406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.851406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.851406 (E_RNA)
where:
Base-Base interactions energy: -555.540
where: short stacking energy: -244.029
Base-Backbone interact. energy: -1.603
local terms energy: -224.708910
where:
bonds (distance) C4'-P energy: -43.012
bonds (distance) P-C4' energy: -35.214
flat angles C4'-P-C4' energy: -49.242
flat angles P-C4'-P energy: -31.351
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: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -741.467235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.467235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.467235 (E_RNA)
where:
Base-Base interactions energy: -519.339
where: short stacking energy: -200.854
Base-Backbone interact. energy: -0.808
local terms energy: -221.320782
where:
bonds (distance) C4'-P energy: -47.859
bonds (distance) P-C4' energy: -43.024
flat angles C4'-P-C4' energy: -46.646
flat angles P-C4'-P energy: -27.582
tors. eta vs tors. theta energy: -56.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -722.872327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.872327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.872327 (E_RNA)
where:
Base-Base interactions energy: -495.146
where: short stacking energy: -210.805
Base-Backbone interact. energy: -1.024
local terms energy: -226.702325
where:
bonds (distance) C4'-P energy: -45.352
bonds (distance) P-C4' energy: -42.858
flat angles C4'-P-C4' energy: -52.629
flat angles P-C4'-P energy: -27.722
tors. eta vs tors. theta energy: -58.142
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: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -648.871424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.871424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.871424 (E_RNA)
where:
Base-Base interactions energy: -452.977
where: short stacking energy: -200.481
Base-Backbone interact. energy: -1.117
local terms energy: -194.776714
where:
bonds (distance) C4'-P energy: -33.299
bonds (distance) P-C4' energy: -34.518
flat angles C4'-P-C4' energy: -45.899
flat angles P-C4'-P energy: -29.416
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: 7, replica: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -593.632417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.632417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.632417 (E_RNA)
where:
Base-Base interactions energy: -396.015
where: short stacking energy: -160.294
Base-Backbone interact. energy: -0.701
local terms energy: -196.916716
where:
bonds (distance) C4'-P energy: -42.336
bonds (distance) P-C4' energy: -47.721
flat angles C4'-P-C4' energy: -36.781
flat angles P-C4'-P energy: -26.794
tors. eta vs tors. theta energy: -43.284
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: 3
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -611.561915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.561915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.561915 (E_RNA)
where:
Base-Base interactions energy: -423.823
where: short stacking energy: -188.222
Base-Backbone interact. energy: 0.967
local terms energy: -188.706086
where:
bonds (distance) C4'-P energy: -33.620
bonds (distance) P-C4' energy: -35.737
flat angles C4'-P-C4' energy: -44.654
flat angles P-C4'-P energy: -28.003
tors. eta vs tors. theta energy: -46.693
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: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -291.388358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.388358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.388358 (E_RNA)
where:
Base-Base interactions energy: -148.175
where: short stacking energy: -89.714
Base-Backbone interact. energy: 1.405
local terms energy: -144.618201
where:
bonds (distance) C4'-P energy: -38.131
bonds (distance) P-C4' energy: -41.220
flat angles C4'-P-C4' energy: -26.220
flat angles P-C4'-P energy: -24.637
tors. eta vs tors. theta energy: -14.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -217.582326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.582326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.582326 (E_RNA)
where:
Base-Base interactions energy: -74.048
where: short stacking energy: -70.557
Base-Backbone interact. energy: 0.254
local terms energy: -143.787992
where:
bonds (distance) C4'-P energy: -41.024
bonds (distance) P-C4' energy: -34.868
flat angles C4'-P-C4' energy: -27.673
flat angles P-C4'-P energy: -29.438
tors. eta vs tors. theta energy: -10.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -836.206282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.206282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.206282 (E_RNA)
where:
Base-Base interactions energy: -581.456
where: short stacking energy: -242.211
Base-Backbone interact. energy: -0.063
local terms energy: -254.686639
where:
bonds (distance) C4'-P energy: -50.005
bonds (distance) P-C4' energy: -41.941
flat angles C4'-P-C4' energy: -54.871
flat angles P-C4'-P energy: -42.024
tors. eta vs tors. theta energy: -65.846
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: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -790.717273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.717273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.717273 (E_RNA)
where:
Base-Base interactions energy: -557.332
where: short stacking energy: -232.461
Base-Backbone interact. energy: 1.573
local terms energy: -234.958532
where:
bonds (distance) C4'-P energy: -44.723
bonds (distance) P-C4' energy: -39.615
flat angles C4'-P-C4' energy: -53.410
flat angles P-C4'-P energy: -30.219
tors. eta vs tors. theta energy: -66.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -827.655429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.655429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.655429 (E_RNA)
where:
Base-Base interactions energy: -574.006
where: short stacking energy: -256.632
Base-Backbone interact. energy: 0.520
local terms energy: -254.169285
where:
bonds (distance) C4'-P energy: -47.154
bonds (distance) P-C4' energy: -49.733
flat angles C4'-P-C4' energy: -46.284
flat angles P-C4'-P energy: -32.087
tors. eta vs tors. theta energy: -78.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -734.345414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.345414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.345414 (E_RNA)
where:
Base-Base interactions energy: -526.703
where: short stacking energy: -220.895
Base-Backbone interact. energy: -0.532
local terms energy: -207.111125
where:
bonds (distance) C4'-P energy: -33.081
bonds (distance) P-C4' energy: -32.690
flat angles C4'-P-C4' energy: -46.112
flat angles P-C4'-P energy: -30.820
tors. eta vs tors. theta energy: -64.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -719.427674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.427674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.427674 (E_RNA)
where:
Base-Base interactions energy: -503.778
where: short stacking energy: -213.122
Base-Backbone interact. energy: -1.544
local terms energy: -214.105062
where:
bonds (distance) C4'-P energy: -46.466
bonds (distance) P-C4' energy: -38.497
flat angles C4'-P-C4' energy: -49.167
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: -60.206
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: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -660.160405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.160405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.160405 (E_RNA)
where:
Base-Base interactions energy: -456.642
where: short stacking energy: -203.173
Base-Backbone interact. energy: -0.377
local terms energy: -203.140562
where:
bonds (distance) C4'-P energy: -42.079
bonds (distance) P-C4' energy: -40.738
flat angles C4'-P-C4' energy: -39.235
flat angles P-C4'-P energy: -32.468
tors. eta vs tors. theta energy: -48.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -587.476675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.476675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.476675 (E_RNA)
where:
Base-Base interactions energy: -403.807
where: short stacking energy: -193.170
Base-Backbone interact. energy: -0.383
local terms energy: -183.286695
where:
bonds (distance) C4'-P energy: -44.296
bonds (distance) P-C4' energy: -39.537
flat angles C4'-P-C4' energy: -35.597
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -45.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -617.146540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.146540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.146540 (E_RNA)
where:
Base-Base interactions energy: -412.424
where: short stacking energy: -175.672
Base-Backbone interact. energy: -0.725
local terms energy: -203.997723
where:
bonds (distance) C4'-P energy: -39.970
bonds (distance) P-C4' energy: -37.928
flat angles C4'-P-C4' energy: -48.107
flat angles P-C4'-P energy: -31.847
tors. eta vs tors. theta energy: -46.145
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: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -319.611100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.611100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.611100 (E_RNA)
where:
Base-Base interactions energy: -163.523
where: short stacking energy: -95.519
Base-Backbone interact. energy: -0.059
local terms energy: -156.029365
where:
bonds (distance) C4'-P energy: -42.589
bonds (distance) P-C4' energy: -43.714
flat angles C4'-P-C4' energy: -40.973
flat angles P-C4'-P energy: -23.173
tors. eta vs tors. theta energy: -5.580
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: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -216.175664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.175664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.175664 (E_RNA)
where:
Base-Base interactions energy: -90.095
where: short stacking energy: -71.475
Base-Backbone interact. energy: -1.014
local terms energy: -125.066479
where:
bonds (distance) C4'-P energy: -35.337
bonds (distance) P-C4' energy: -42.856
flat angles C4'-P-C4' energy: -34.969
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: 1.539
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: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -849.429379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.429379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.429379 (E_RNA)
where:
Base-Base interactions energy: -592.217
where: short stacking energy: -242.578
Base-Backbone interact. energy: -1.517
local terms energy: -255.695551
where:
bonds (distance) C4'-P energy: -52.796
bonds (distance) P-C4' energy: -48.773
flat angles C4'-P-C4' energy: -52.842
flat angles P-C4'-P energy: -34.958
tors. eta vs tors. theta energy: -66.327
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: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -780.974777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.974777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.974777 (E_RNA)
where:
Base-Base interactions energy: -544.085
where: short stacking energy: -233.269
Base-Backbone interact. energy: -1.121
local terms energy: -235.768728
where:
bonds (distance) C4'-P energy: -45.741
bonds (distance) P-C4' energy: -49.921
flat angles C4'-P-C4' energy: -44.558
flat angles P-C4'-P energy: -28.838
tors. eta vs tors. theta energy: -66.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -815.454905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.454905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.454905 (E_RNA)
where:
Base-Base interactions energy: -568.032
where: short stacking energy: -244.892
Base-Backbone interact. energy: -1.238
local terms energy: -246.184109
where:
bonds (distance) C4'-P energy: -45.215
bonds (distance) P-C4' energy: -45.332
flat angles C4'-P-C4' energy: -54.443
flat angles P-C4'-P energy: -30.714
tors. eta vs tors. theta energy: -70.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -723.258127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.258127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.258127 (E_RNA)
where:
Base-Base interactions energy: -499.835
where: short stacking energy: -215.968
Base-Backbone interact. energy: 0.513
local terms energy: -223.936065
where:
bonds (distance) C4'-P energy: -43.323
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -46.896
flat angles P-C4'-P energy: -27.874
tors. eta vs tors. theta energy: -55.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -715.046173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.046173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.046173 (E_RNA)
where:
Base-Base interactions energy: -500.626
where: short stacking energy: -207.796
Base-Backbone interact. energy: -2.395
local terms energy: -212.024885
where:
bonds (distance) C4'-P energy: -36.036
bonds (distance) P-C4' energy: -43.412
flat angles C4'-P-C4' energy: -49.162
flat angles P-C4'-P energy: -28.498
tors. eta vs tors. theta energy: -54.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -683.128371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.128371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.128371 (E_RNA)
where:
Base-Base interactions energy: -467.802
where: short stacking energy: -210.401
Base-Backbone interact. energy: 0.077
local terms energy: -215.404126
where:
bonds (distance) C4'-P energy: -40.066
bonds (distance) P-C4' energy: -37.330
flat angles C4'-P-C4' energy: -43.798
flat angles P-C4'-P energy: -35.114
tors. eta vs tors. theta energy: -59.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -649.718708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.718708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.718708 (E_RNA)
where:
Base-Base interactions energy: -453.473
where: short stacking energy: -195.244
Base-Backbone interact. energy: -0.661
local terms energy: -195.584011
where:
bonds (distance) C4'-P energy: -33.945
bonds (distance) P-C4' energy: -29.545
flat angles C4'-P-C4' energy: -51.077
flat angles P-C4'-P energy: -30.936
tors. eta vs tors. theta energy: -50.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -587.153604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.153604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.153604 (E_RNA)
where:
Base-Base interactions energy: -402.618
where: short stacking energy: -159.054
Base-Backbone interact. energy: -0.632
local terms energy: -183.903222
where:
bonds (distance) C4'-P energy: -39.882
bonds (distance) P-C4' energy: -36.155
flat angles C4'-P-C4' energy: -43.906
flat angles P-C4'-P energy: -27.307
tors. eta vs tors. theta energy: -36.653
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: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -330.814828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.814828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.814828 (E_RNA)
where:
Base-Base interactions energy: -174.968
where: short stacking energy: -96.835
Base-Backbone interact. energy: -0.766
local terms energy: -155.080880
where:
bonds (distance) C4'-P energy: -40.148
bonds (distance) P-C4' energy: -37.626
flat angles C4'-P-C4' energy: -41.011
flat angles P-C4'-P energy: -22.236
tors. eta vs tors. theta energy: -14.059
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: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -222.697487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.697487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.697487 (E_RNA)
where:
Base-Base interactions energy: -91.806
where: short stacking energy: -87.425
Base-Backbone interact. energy: 0.118
local terms energy: -131.009501
where:
bonds (distance) C4'-P energy: -40.498
bonds (distance) P-C4' energy: -46.722
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -23.281
tors. eta vs tors. theta energy: 0.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -839.837011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.837011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.837011 (E_RNA)
where:
Base-Base interactions energy: -590.117
where: short stacking energy: -236.299
Base-Backbone interact. energy: 1.635
local terms energy: -251.354839
where:
bonds (distance) C4'-P energy: -43.667
bonds (distance) P-C4' energy: -52.371
flat angles C4'-P-C4' energy: -52.981
flat angles P-C4'-P energy: -37.903
tors. eta vs tors. theta energy: -64.433
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: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -839.265972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.265972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.265972 (E_RNA)
where:
Base-Base interactions energy: -581.817
where: short stacking energy: -249.836
Base-Backbone interact. energy: -0.347
local terms energy: -257.101792
where:
bonds (distance) C4'-P energy: -49.509
bonds (distance) P-C4' energy: -42.437
flat angles C4'-P-C4' energy: -52.524
flat angles P-C4'-P energy: -39.496
tors. eta vs tors. theta energy: -73.136
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: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -759.021595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.021595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.021595 (E_RNA)
where:
Base-Base interactions energy: -526.557
where: short stacking energy: -219.406
Base-Backbone interact. energy: -1.115
local terms energy: -231.349766
where:
bonds (distance) C4'-P energy: -43.862
bonds (distance) P-C4' energy: -47.188
flat angles C4'-P-C4' energy: -51.662
flat angles P-C4'-P energy: -21.135
tors. eta vs tors. theta energy: -67.503
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: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -737.534335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.534335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.534335 (E_RNA)
where:
Base-Base interactions energy: -495.041
where: short stacking energy: -217.574
Base-Backbone interact. energy: -2.906
local terms energy: -239.587307
where:
bonds (distance) C4'-P energy: -44.151
bonds (distance) P-C4' energy: -39.701
flat angles C4'-P-C4' energy: -51.711
flat angles P-C4'-P energy: -39.222
tors. eta vs tors. theta energy: -64.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -725.559208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.559208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.559208 (E_RNA)
where:
Base-Base interactions energy: -508.531
where: short stacking energy: -208.274
Base-Backbone interact. energy: 0.835
local terms energy: -217.863800
where:
bonds (distance) C4'-P energy: -35.504
bonds (distance) P-C4' energy: -43.872
flat angles C4'-P-C4' energy: -53.229
flat angles P-C4'-P energy: -24.909
tors. eta vs tors. theta energy: -60.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -641.100685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.100685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.100685 (E_RNA)
where:
Base-Base interactions energy: -440.817
where: short stacking energy: -188.535
Base-Backbone interact. energy: 0.484
local terms energy: -200.767549
where:
bonds (distance) C4'-P energy: -35.610
bonds (distance) P-C4' energy: -45.743
flat angles C4'-P-C4' energy: -41.579
flat angles P-C4'-P energy: -26.181
tors. eta vs tors. theta energy: -51.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -641.171465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.171465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.171465 (E_RNA)
where:
Base-Base interactions energy: -439.855
where: short stacking energy: -191.174
Base-Backbone interact. energy: 2.930
local terms energy: -204.245992
where:
bonds (distance) C4'-P energy: -44.622
bonds (distance) P-C4' energy: -36.666
flat angles C4'-P-C4' energy: -44.977
flat angles P-C4'-P energy: -26.086
tors. eta vs tors. theta energy: -51.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -597.494901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.494901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.494901 (E_RNA)
where:
Base-Base interactions energy: -398.532
where: short stacking energy: -167.511
Base-Backbone interact. energy: -0.509
local terms energy: -198.454532
where:
bonds (distance) C4'-P energy: -35.742
bonds (distance) P-C4' energy: -42.459
flat angles C4'-P-C4' energy: -43.461
flat angles P-C4'-P energy: -30.546
tors. eta vs tors. theta energy: -46.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -318.632100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.632100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.632100 (E_RNA)
where:
Base-Base interactions energy: -180.139
where: short stacking energy: -106.299
Base-Backbone interact. energy: 1.444
local terms energy: -139.937599
where:
bonds (distance) C4'-P energy: -27.567
bonds (distance) P-C4' energy: -32.843
flat angles C4'-P-C4' energy: -35.083
flat angles P-C4'-P energy: -33.548
tors. eta vs tors. theta energy: -10.896
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: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -214.118889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.118889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.118889 (E_RNA)
where:
Base-Base interactions energy: -73.264
where: short stacking energy: -63.334
Base-Backbone interact. energy: -1.797
local terms energy: -139.057792
where:
bonds (distance) C4'-P energy: -38.981
bonds (distance) P-C4' energy: -36.752
flat angles C4'-P-C4' energy: -42.151
flat angles P-C4'-P energy: -17.106
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -866.439634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.439634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.439634 (E_RNA)
where:
Base-Base interactions energy: -600.190
where: short stacking energy: -249.077
Base-Backbone interact. energy: -0.537
local terms energy: -265.711843
where:
bonds (distance) C4'-P energy: -49.557
bonds (distance) P-C4' energy: -49.290
flat angles C4'-P-C4' energy: -53.080
flat angles P-C4'-P energy: -39.891
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: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -827.511209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.511209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.511209 (E_RNA)
where:
Base-Base interactions energy: -583.006
where: short stacking energy: -226.412
Base-Backbone interact. energy: -1.029
local terms energy: -243.476042
where:
bonds (distance) C4'-P energy: -49.012
bonds (distance) P-C4' energy: -46.287
flat angles C4'-P-C4' energy: -49.130
flat angles P-C4'-P energy: -33.976
tors. eta vs tors. theta energy: -65.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -743.199067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.199067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.199067 (E_RNA)
where:
Base-Base interactions energy: -519.797
where: short stacking energy: -210.541
Base-Backbone interact. energy: -1.446
local terms energy: -221.956130
where:
bonds (distance) C4'-P energy: -45.687
bonds (distance) P-C4' energy: -45.821
flat angles C4'-P-C4' energy: -53.550
flat angles P-C4'-P energy: -26.635
tors. eta vs tors. theta energy: -50.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -736.724913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.724913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.724913 (E_RNA)
where:
Base-Base interactions energy: -506.923
where: short stacking energy: -219.649
Base-Backbone interact. energy: 3.808
local terms energy: -233.609812
where:
bonds (distance) C4'-P energy: -42.141
bonds (distance) P-C4' energy: -37.839
flat angles C4'-P-C4' energy: -50.765
flat angles P-C4'-P energy: -37.415
tors. eta vs tors. theta energy: -65.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -723.245241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.245241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.245241 (E_RNA)
where:
Base-Base interactions energy: -514.204
where: short stacking energy: -210.371
Base-Backbone interact. energy: -0.533
local terms energy: -208.507754
where:
bonds (distance) C4'-P energy: -39.623
bonds (distance) P-C4' energy: -42.251
flat angles C4'-P-C4' energy: -47.523
flat angles P-C4'-P energy: -30.769
tors. eta vs tors. theta energy: -48.342
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: 236
Temperature: 1.150000
Total energy: -668.755721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.755721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.755721 (E_RNA)
where:
Base-Base interactions energy: -452.999
where: short stacking energy: -192.125
Base-Backbone interact. energy: -0.848
local terms energy: -214.908524
where:
bonds (distance) C4'-P energy: -44.653
bonds (distance) P-C4' energy: -43.820
flat angles C4'-P-C4' energy: -47.587
flat angles P-C4'-P energy: -32.078
tors. eta vs tors. theta energy: -46.770
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: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -642.515724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.515724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.515724 (E_RNA)
where:
Base-Base interactions energy: -444.055
where: short stacking energy: -199.521
Base-Backbone interact. energy: 0.746
local terms energy: -199.206809
where:
bonds (distance) C4'-P energy: -39.426
bonds (distance) P-C4' energy: -35.146
flat angles C4'-P-C4' energy: -43.635
flat angles P-C4'-P energy: -30.458
tors. eta vs tors. theta energy: -50.541
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: 2
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -629.689375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.689375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.689375 (E_RNA)
where:
Base-Base interactions energy: -417.635
where: short stacking energy: -176.385
Base-Backbone interact. energy: -0.330
local terms energy: -211.724409
where:
bonds (distance) C4'-P energy: -47.836
bonds (distance) P-C4' energy: -42.527
flat angles C4'-P-C4' energy: -51.813
flat angles P-C4'-P energy: -20.198
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: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -368.634364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.634364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.634364 (E_RNA)
where:
Base-Base interactions energy: -208.969
where: short stacking energy: -104.209
Base-Backbone interact. energy: 3.347
local terms energy: -163.013041
where:
bonds (distance) C4'-P energy: -37.116
bonds (distance) P-C4' energy: -46.114
flat angles C4'-P-C4' energy: -33.074
flat angles P-C4'-P energy: -26.309
tors. eta vs tors. theta energy: -20.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -211.884715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.884715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.884715 (E_RNA)
where:
Base-Base interactions energy: -98.938
where: short stacking energy: -74.247
Base-Backbone interact. energy: -0.656
local terms energy: -112.290389
where:
bonds (distance) C4'-P energy: -32.685
bonds (distance) P-C4' energy: -37.904
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -864.961031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.961031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.961031 (E_RNA)
where:
Base-Base interactions energy: -597.886
where: short stacking energy: -267.726
Base-Backbone interact. energy: -0.513
local terms energy: -266.561486
where:
bonds (distance) C4'-P energy: -52.101
bonds (distance) P-C4' energy: -47.825
flat angles C4'-P-C4' energy: -48.369
flat angles P-C4'-P energy: -43.001
tors. eta vs tors. theta energy: -75.266
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: 8
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -812.457840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.457840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.457840 (E_RNA)
where:
Base-Base interactions energy: -578.102
where: short stacking energy: -245.329
Base-Backbone interact. energy: -0.332
local terms energy: -234.023550
where:
bonds (distance) C4'-P energy: -41.295
bonds (distance) P-C4' energy: -37.345
flat angles C4'-P-C4' energy: -50.527
flat angles P-C4'-P energy: -37.570
tors. eta vs tors. theta energy: -67.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -767.237314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.237314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.237314 (E_RNA)
where:
Base-Base interactions energy: -535.647
where: short stacking energy: -238.639
Base-Backbone interact. energy: -0.540
local terms energy: -231.049980
where:
bonds (distance) C4'-P energy: -38.139
bonds (distance) P-C4' energy: -39.209
flat angles C4'-P-C4' energy: -44.875
flat angles P-C4'-P energy: -39.895
tors. eta vs tors. theta energy: -68.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -742.685206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.685206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.685206 (E_RNA)
where:
Base-Base interactions energy: -502.729
where: short stacking energy: -218.574
Base-Backbone interact. energy: -1.683
local terms energy: -238.272813
where:
bonds (distance) C4'-P energy: -39.920
bonds (distance) P-C4' energy: -48.810
flat angles C4'-P-C4' energy: -45.365
flat angles P-C4'-P energy: -39.010
tors. eta vs tors. theta energy: -65.168
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: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -719.804689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.804689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.804689 (E_RNA)
where:
Base-Base interactions energy: -495.244
where: short stacking energy: -202.095
Base-Backbone interact. energy: -1.058
local terms energy: -223.502654
where:
bonds (distance) C4'-P energy: -45.812
bonds (distance) P-C4' energy: -47.244
flat angles C4'-P-C4' energy: -47.458
flat angles P-C4'-P energy: -32.638
tors. eta vs tors. theta energy: -50.351
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: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -665.297970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.297970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.297970 (E_RNA)
where:
Base-Base interactions energy: -449.783
where: short stacking energy: -200.400
Base-Backbone interact. energy: -1.007
local terms energy: -214.508003
where:
bonds (distance) C4'-P energy: -34.461
bonds (distance) P-C4' energy: -46.139
flat angles C4'-P-C4' energy: -50.230
flat angles P-C4'-P energy: -27.792
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: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -620.016383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.016383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.016383 (E_RNA)
where:
Base-Base interactions energy: -420.464
where: short stacking energy: -174.996
Base-Backbone interact. energy: -0.952
local terms energy: -198.600504
where:
bonds (distance) C4'-P energy: -39.399
bonds (distance) P-C4' energy: -45.052
flat angles C4'-P-C4' energy: -39.358
flat angles P-C4'-P energy: -26.684
tors. eta vs tors. theta energy: -48.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -611.422293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.422293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.422293 (E_RNA)
where:
Base-Base interactions energy: -412.399
where: short stacking energy: -172.613
Base-Backbone interact. energy: -0.601
local terms energy: -198.421664
where:
bonds (distance) C4'-P energy: -40.904
bonds (distance) P-C4' energy: -44.563
flat angles C4'-P-C4' energy: -41.460
flat angles P-C4'-P energy: -29.478
tors. eta vs tors. theta energy: -42.017
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: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -377.002511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.002511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.002511 (E_RNA)
where:
Base-Base interactions energy: -231.259
where: short stacking energy: -101.531
Base-Backbone interact. energy: -1.333
local terms energy: -144.409967
where:
bonds (distance) C4'-P energy: -40.069
bonds (distance) P-C4' energy: -33.721
flat angles C4'-P-C4' energy: -29.211
flat angles P-C4'-P energy: -30.035
tors. eta vs tors. theta energy: -11.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -216.480833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.480833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.480833 (E_RNA)
where:
Base-Base interactions energy: -93.965
where: short stacking energy: -69.597
Base-Backbone interact. energy: -2.497
local terms energy: -120.018632
where:
bonds (distance) C4'-P energy: -33.778
bonds (distance) P-C4' energy: -40.563
flat angles C4'-P-C4' energy: -26.472
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -840.557962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.557962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.557962 (E_RNA)
where:
Base-Base interactions energy: -599.392
where: short stacking energy: -248.993
Base-Backbone interact. energy: -0.185
local terms energy: -240.980453
where:
bonds (distance) C4'-P energy: -44.388
bonds (distance) P-C4' energy: -49.105
flat angles C4'-P-C4' energy: -47.093
flat angles P-C4'-P energy: -30.355
tors. eta vs tors. theta energy: -70.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -826.716047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.716047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.716047 (E_RNA)
where:
Base-Base interactions energy: -570.393
where: short stacking energy: -216.442
Base-Backbone interact. energy: -1.858
local terms energy: -254.464248
where:
bonds (distance) C4'-P energy: -48.873
bonds (distance) P-C4' energy: -56.894
flat angles C4'-P-C4' energy: -44.646
flat angles P-C4'-P energy: -37.965
tors. eta vs tors. theta energy: -66.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -764.299207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.299207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.299207 (E_RNA)
where:
Base-Base interactions energy: -522.804
where: short stacking energy: -219.207
Base-Backbone interact. energy: -0.397
local terms energy: -241.098465
where:
bonds (distance) C4'-P energy: -47.861
bonds (distance) P-C4' energy: -46.854
flat angles C4'-P-C4' energy: -48.588
flat angles P-C4'-P energy: -31.843
tors. eta vs tors. theta energy: -65.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -741.704892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.704892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.704892 (E_RNA)
where:
Base-Base interactions energy: -512.807
where: short stacking energy: -228.558
Base-Backbone interact. energy: -0.746
local terms energy: -228.151984
where:
bonds (distance) C4'-P energy: -42.140
bonds (distance) P-C4' energy: -44.404
flat angles C4'-P-C4' energy: -45.719
flat angles P-C4'-P energy: -29.183
tors. eta vs tors. theta energy: -66.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -713.399616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.399616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.399616 (E_RNA)
where:
Base-Base interactions energy: -501.213
where: short stacking energy: -199.450
Base-Backbone interact. energy: -1.293
local terms energy: -210.893413
where:
bonds (distance) C4'-P energy: -40.031
bonds (distance) P-C4' energy: -38.442
flat angles C4'-P-C4' energy: -46.808
flat angles P-C4'-P energy: -33.707
tors. eta vs tors. theta energy: -51.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -690.723770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.723770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.723770 (E_RNA)
where:
Base-Base interactions energy: -471.700
where: short stacking energy: -222.829
Base-Backbone interact. energy: -0.868
local terms energy: -218.155708
where:
bonds (distance) C4'-P energy: -38.947
bonds (distance) P-C4' energy: -44.617
flat angles C4'-P-C4' energy: -48.441
flat angles P-C4'-P energy: -21.101
tors. eta vs tors. theta energy: -65.049
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: 7, replica: 6
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -639.651430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.651430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.651430 (E_RNA)
where:
Base-Base interactions energy: -461.929
where: short stacking energy: -191.576
Base-Backbone interact. energy: 1.511
local terms energy: -179.234042
where:
bonds (distance) C4'-P energy: -28.840
bonds (distance) P-C4' energy: -38.346
flat angles C4'-P-C4' energy: -33.639
flat angles P-C4'-P energy: -27.819
tors. eta vs tors. theta energy: -50.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -591.298846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.298846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.298846 (E_RNA)
where:
Base-Base interactions energy: -391.253
where: short stacking energy: -172.206
Base-Backbone interact. energy: -1.030
local terms energy: -199.015353
where:
bonds (distance) C4'-P energy: -42.681
bonds (distance) P-C4' energy: -37.868
flat angles C4'-P-C4' energy: -47.862
flat angles P-C4'-P energy: -27.453
tors. eta vs tors. theta energy: -43.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -403.986741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.986741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.986741 (E_RNA)
where:
Base-Base interactions energy: -252.504
where: short stacking energy: -128.419
Base-Backbone interact. energy: -0.096
local terms energy: -151.386275
where:
bonds (distance) C4'-P energy: -36.283
bonds (distance) P-C4' energy: -32.593
flat angles C4'-P-C4' energy: -37.275
flat angles P-C4'-P energy: -23.790
tors. eta vs tors. theta energy: -21.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -204.425587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.425587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.425587 (E_RNA)
where:
Base-Base interactions energy: -66.171
where: short stacking energy: -58.425
Base-Backbone interact. energy: 1.903
local terms energy: -140.157282
where:
bonds (distance) C4'-P energy: -43.081
bonds (distance) P-C4' energy: -41.873
flat angles C4'-P-C4' energy: -36.962
flat angles P-C4'-P energy: -21.506
tors. eta vs tors. theta energy: 3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -854.671355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.671355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.671355 (E_RNA)
where:
Base-Base interactions energy: -580.220
where: short stacking energy: -252.647
Base-Backbone interact. energy: -0.178
local terms energy: -274.273257
where:
bonds (distance) C4'-P energy: -51.599
bonds (distance) P-C4' energy: -50.216
flat angles C4'-P-C4' energy: -59.418
flat angles P-C4'-P energy: -36.141
tors. eta vs tors. theta energy: -76.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -822.363853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.363853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.363853 (E_RNA)
where:
Base-Base interactions energy: -586.855
where: short stacking energy: -241.677
Base-Backbone interact. energy: -0.937
local terms energy: -234.571612
where:
bonds (distance) C4'-P energy: -39.862
bonds (distance) P-C4' energy: -44.674
flat angles C4'-P-C4' energy: -52.884
flat angles P-C4'-P energy: -37.822
tors. eta vs tors. theta energy: -59.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -788.839072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.839072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.839072 (E_RNA)
where:
Base-Base interactions energy: -527.843
where: short stacking energy: -232.976
Base-Backbone interact. energy: -1.431
local terms energy: -259.565066
where:
bonds (distance) C4'-P energy: -45.607
bonds (distance) P-C4' energy: -54.858
flat angles C4'-P-C4' energy: -50.063
flat angles P-C4'-P energy: -39.707
tors. eta vs tors. theta energy: -69.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -734.820477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.820477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.820477 (E_RNA)
where:
Base-Base interactions energy: -509.154
where: short stacking energy: -218.457
Base-Backbone interact. energy: 1.632
local terms energy: -227.298135
where:
bonds (distance) C4'-P energy: -37.650
bonds (distance) P-C4' energy: -45.344
flat angles C4'-P-C4' energy: -53.652
flat angles P-C4'-P energy: -33.891
tors. eta vs tors. theta energy: -56.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -706.686503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.686503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.686503 (E_RNA)
where:
Base-Base interactions energy: -484.648
where: short stacking energy: -209.838
Base-Backbone interact. energy: -1.781
local terms energy: -220.256659
where:
bonds (distance) C4'-P energy: -46.019
bonds (distance) P-C4' energy: -42.914
flat angles C4'-P-C4' energy: -51.053
flat angles P-C4'-P energy: -27.597
tors. eta vs tors. theta energy: -52.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -662.802090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.802090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.802090 (E_RNA)
where:
Base-Base interactions energy: -458.957
where: short stacking energy: -209.199
Base-Backbone interact. energy: -0.338
local terms energy: -203.507047
where:
bonds (distance) C4'-P energy: -36.134
bonds (distance) P-C4' energy: -43.015
flat angles C4'-P-C4' energy: -46.535
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: -50.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -650.876228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.876228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.876228 (E_RNA)
where:
Base-Base interactions energy: -449.378
where: short stacking energy: -192.365
Base-Backbone interact. energy: 0.368
local terms energy: -201.866503
where:
bonds (distance) C4'-P energy: -40.804
bonds (distance) P-C4' energy: -44.763
flat angles C4'-P-C4' energy: -40.382
flat angles P-C4'-P energy: -30.554
tors. eta vs tors. theta energy: -45.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -621.969086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.969086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.969086 (E_RNA)
where:
Base-Base interactions energy: -419.861
where: short stacking energy: -177.689
Base-Backbone interact. energy: -1.061
local terms energy: -201.047032
where:
bonds (distance) C4'-P energy: -36.053
bonds (distance) P-C4' energy: -43.360
flat angles C4'-P-C4' energy: -47.735
flat angles P-C4'-P energy: -27.333
tors. eta vs tors. theta energy: -46.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -492.970041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.970041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.970041 (E_RNA)
where:
Base-Base interactions energy: -324.167
where: short stacking energy: -144.947
Base-Backbone interact. energy: 1.285
local terms energy: -170.088621
where:
bonds (distance) C4'-P energy: -37.832
bonds (distance) P-C4' energy: -26.942
flat angles C4'-P-C4' energy: -46.461
flat angles P-C4'-P energy: -26.278
tors. eta vs tors. theta energy: -32.576
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: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -240.785112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.785112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.785112 (E_RNA)
where:
Base-Base interactions energy: -109.407
where: short stacking energy: -88.840
Base-Backbone interact. energy: 2.124
local terms energy: -133.501782
where:
bonds (distance) C4'-P energy: -37.929
bonds (distance) P-C4' energy: -29.071
flat angles C4'-P-C4' energy: -39.637
flat angles P-C4'-P energy: -23.490
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -854.601289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.601289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.601289 (E_RNA)
where:
Base-Base interactions energy: -593.830
where: short stacking energy: -247.938
Base-Backbone interact. energy: -0.326
local terms energy: -260.445532
where:
bonds (distance) C4'-P energy: -42.132
bonds (distance) P-C4' energy: -51.355
flat angles C4'-P-C4' energy: -54.757
flat angles P-C4'-P energy: -34.529
tors. eta vs tors. theta energy: -77.673
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: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -848.835602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.835602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.835602 (E_RNA)
where:
Base-Base interactions energy: -596.870
where: short stacking energy: -234.955
Base-Backbone interact. energy: -1.006
local terms energy: -250.960137
where:
bonds (distance) C4'-P energy: -48.424
bonds (distance) P-C4' energy: -47.086
flat angles C4'-P-C4' energy: -56.099
flat angles P-C4'-P energy: -38.246
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: 3, replica: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -783.257676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.257676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.257676 (E_RNA)
where:
Base-Base interactions energy: -537.077
where: short stacking energy: -231.220
Base-Backbone interact. energy: -1.055
local terms energy: -245.126297
where:
bonds (distance) C4'-P energy: -44.389
bonds (distance) P-C4' energy: -49.159
flat angles C4'-P-C4' energy: -53.895
flat angles P-C4'-P energy: -35.201
tors. eta vs tors. theta energy: -62.483
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: 4
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -735.731265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.731265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.731265 (E_RNA)
where:
Base-Base interactions energy: -513.513
where: short stacking energy: -230.575
Base-Backbone interact. energy: 0.657
local terms energy: -222.875218
where:
bonds (distance) C4'-P energy: -40.282
bonds (distance) P-C4' energy: -45.257
flat angles C4'-P-C4' energy: -42.734
flat angles P-C4'-P energy: -34.199
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: 5, replica: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -686.669031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.669031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.669031 (E_RNA)
where:
Base-Base interactions energy: -464.510
where: short stacking energy: -201.059
Base-Backbone interact. energy: -0.414
local terms energy: -221.744855
where:
bonds (distance) C4'-P energy: -39.620
bonds (distance) P-C4' energy: -48.845
flat angles C4'-P-C4' energy: -50.737
flat angles P-C4'-P energy: -29.278
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: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -686.181548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.181548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.181548 (E_RNA)
where:
Base-Base interactions energy: -496.720
where: short stacking energy: -205.058
Base-Backbone interact. energy: -1.576
local terms energy: -187.884924
where:
bonds (distance) C4'-P energy: -27.774
bonds (distance) P-C4' energy: -28.268
flat angles C4'-P-C4' energy: -48.893
flat angles P-C4'-P energy: -28.754
tors. eta vs tors. theta energy: -54.196
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: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -641.810493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.810493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.810493 (E_RNA)
where:
Base-Base interactions energy: -437.288
where: short stacking energy: -202.548
Base-Backbone interact. energy: 1.917
local terms energy: -206.439550
where:
bonds (distance) C4'-P energy: -36.982
bonds (distance) P-C4' energy: -38.590
flat angles C4'-P-C4' energy: -48.444
flat angles P-C4'-P energy: -32.696
tors. eta vs tors. theta energy: -49.726
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: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -567.418730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.418730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.418730 (E_RNA)
where:
Base-Base interactions energy: -380.935
where: short stacking energy: -162.558
Base-Backbone interact. energy: -2.416
local terms energy: -184.067233
where:
bonds (distance) C4'-P energy: -45.072
bonds (distance) P-C4' energy: -33.584
flat angles C4'-P-C4' energy: -35.491
flat angles P-C4'-P energy: -34.794
tors. eta vs tors. theta energy: -35.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -495.741736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.741736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.741736 (E_RNA)
where:
Base-Base interactions energy: -339.613
where: short stacking energy: -130.251
Base-Backbone interact. energy: 2.133
local terms energy: -158.262008
where:
bonds (distance) C4'-P energy: -35.745
bonds (distance) P-C4' energy: -45.444
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -22.226
tors. eta vs tors. theta energy: -19.688
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: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -210.963505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.963505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.963505 (E_RNA)
where:
Base-Base interactions energy: -69.005
where: short stacking energy: -49.512
Base-Backbone interact. energy: -0.764
local terms energy: -141.194250
where:
bonds (distance) C4'-P energy: -37.280
bonds (distance) P-C4' energy: -42.911
flat angles C4'-P-C4' energy: -41.332
flat angles P-C4'-P energy: -23.691
tors. eta vs tors. theta energy: 4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -850.528832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.528832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.528832 (E_RNA)
where:
Base-Base interactions energy: -585.924
where: short stacking energy: -254.455
Base-Backbone interact. energy: -0.438
local terms energy: -264.166464
where:
bonds (distance) C4'-P energy: -47.290
bonds (distance) P-C4' energy: -52.250
flat angles C4'-P-C4' energy: -49.428
flat angles P-C4'-P energy: -35.811
tors. eta vs tors. theta energy: -79.387
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: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -819.334484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.334484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.334484 (E_RNA)
where:
Base-Base interactions energy: -579.491
where: short stacking energy: -230.375
Base-Backbone interact. energy: -1.657
local terms energy: -238.186085
where:
bonds (distance) C4'-P energy: -48.954
bonds (distance) P-C4' energy: -35.910
flat angles C4'-P-C4' energy: -53.000
flat angles P-C4'-P energy: -39.370
tors. eta vs tors. theta energy: -60.952
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: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -780.294395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.294395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.294395 (E_RNA)
where:
Base-Base interactions energy: -540.253
where: short stacking energy: -234.303
Base-Backbone interact. energy: -1.871
local terms energy: -238.170175
where:
bonds (distance) C4'-P energy: -33.485
bonds (distance) P-C4' energy: -50.073
flat angles C4'-P-C4' energy: -51.830
flat angles P-C4'-P energy: -41.865
tors. eta vs tors. theta energy: -60.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -741.996254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.996254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.996254 (E_RNA)
where:
Base-Base interactions energy: -508.982
where: short stacking energy: -228.066
Base-Backbone interact. energy: 0.729
local terms energy: -233.742934
where:
bonds (distance) C4'-P energy: -39.585
bonds (distance) P-C4' energy: -44.037
flat angles C4'-P-C4' energy: -54.387
flat angles P-C4'-P energy: -37.287
tors. eta vs tors. theta energy: -58.447
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: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -670.575760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.575760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.575760 (E_RNA)
where:
Base-Base interactions energy: -455.164
where: short stacking energy: -203.443
Base-Backbone interact. energy: -0.137
local terms energy: -215.274159
where:
bonds (distance) C4'-P energy: -33.587
bonds (distance) P-C4' energy: -47.647
flat angles C4'-P-C4' energy: -49.248
flat angles P-C4'-P energy: -31.832
tors. eta vs tors. theta energy: -52.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -697.368948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.368948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.368948 (E_RNA)
where:
Base-Base interactions energy: -493.501
where: short stacking energy: -210.787
Base-Backbone interact. energy: 0.791
local terms energy: -204.659095
where:
bonds (distance) C4'-P energy: -47.414
bonds (distance) P-C4' energy: -39.734
flat angles C4'-P-C4' energy: -39.112
flat angles P-C4'-P energy: -29.777
tors. eta vs tors. theta energy: -48.622
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: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -640.842727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.842727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.842727 (E_RNA)
where:
Base-Base interactions energy: -437.868
where: short stacking energy: -187.097
Base-Backbone interact. energy: -0.543
local terms energy: -202.431690
where:
bonds (distance) C4'-P energy: -33.764
bonds (distance) P-C4' energy: -44.529
flat angles C4'-P-C4' energy: -41.347
flat angles P-C4'-P energy: -35.532
tors. eta vs tors. theta energy: -47.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -526.426687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.426687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.426687 (E_RNA)
where:
Base-Base interactions energy: -345.105
where: short stacking energy: -136.456
Base-Backbone interact. energy: -0.664
local terms energy: -180.657444
where:
bonds (distance) C4'-P energy: -36.090
bonds (distance) P-C4' energy: -44.028
flat angles C4'-P-C4' energy: -36.941
flat angles P-C4'-P energy: -27.388
tors. eta vs tors. theta energy: -36.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -523.553204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.553204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.553204 (E_RNA)
where:
Base-Base interactions energy: -350.854
where: short stacking energy: -144.290
Base-Backbone interact. energy: -0.736
local terms energy: -171.963063
where:
bonds (distance) C4'-P energy: -31.722
bonds (distance) P-C4' energy: -40.698
flat angles C4'-P-C4' energy: -39.489
flat angles P-C4'-P energy: -33.075
tors. eta vs tors. theta energy: -26.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -203.473691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.473691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.473691 (E_RNA)
where:
Base-Base interactions energy: -74.719
where: short stacking energy: -71.549
Base-Backbone interact. energy: -0.592
local terms energy: -128.162521
where:
bonds (distance) C4'-P energy: -34.207
bonds (distance) P-C4' energy: -40.590
flat angles C4'-P-C4' energy: -30.588
flat angles P-C4'-P energy: -22.880
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: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -851.166843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.166843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.166843 (E_RNA)
where:
Base-Base interactions energy: -582.833
where: short stacking energy: -251.667
Base-Backbone interact. energy: -0.469
local terms energy: -267.865189
where:
bonds (distance) C4'-P energy: -50.550
bonds (distance) P-C4' energy: -48.742
flat angles C4'-P-C4' energy: -54.889
flat angles P-C4'-P energy: -35.325
tors. eta vs tors. theta energy: -78.359
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: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -818.809216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.809216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.809216 (E_RNA)
where:
Base-Base interactions energy: -576.444
where: short stacking energy: -234.441
Base-Backbone interact. energy: -0.211
local terms energy: -242.154388
where:
bonds (distance) C4'-P energy: -45.836
bonds (distance) P-C4' energy: -45.064
flat angles C4'-P-C4' energy: -52.442
flat angles P-C4'-P energy: -37.623
tors. eta vs tors. theta energy: -61.189
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: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -753.363587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.363587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.363587 (E_RNA)
where:
Base-Base interactions energy: -518.150
where: short stacking energy: -219.392
Base-Backbone interact. energy: 0.049
local terms energy: -235.262734
where:
bonds (distance) C4'-P energy: -33.314
bonds (distance) P-C4' energy: -47.974
flat angles C4'-P-C4' energy: -47.288
flat angles P-C4'-P energy: -42.185
tors. eta vs tors. theta energy: -64.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -736.942335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.942335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.942335 (E_RNA)
where:
Base-Base interactions energy: -511.802
where: short stacking energy: -218.916
Base-Backbone interact. energy: -2.523
local terms energy: -222.617471
where:
bonds (distance) C4'-P energy: -38.379
bonds (distance) P-C4' energy: -39.394
flat angles C4'-P-C4' energy: -52.648
flat angles P-C4'-P energy: -33.243
tors. eta vs tors. theta energy: -58.953
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: 242
Temperature: 1.100000
Total energy: -678.535161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.535161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.535161 (E_RNA)
where:
Base-Base interactions energy: -478.234
where: short stacking energy: -203.193
Base-Backbone interact. energy: -0.447
local terms energy: -199.853437
where:
bonds (distance) C4'-P energy: -36.364
bonds (distance) P-C4' energy: -48.706
flat angles C4'-P-C4' energy: -38.747
flat angles P-C4'-P energy: -22.687
tors. eta vs tors. theta energy: -53.349
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: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -678.351783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.351783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.351783 (E_RNA)
where:
Base-Base interactions energy: -467.608
where: short stacking energy: -193.761
Base-Backbone interact. energy: -1.957
local terms energy: -208.785930
where:
bonds (distance) C4'-P energy: -39.752
bonds (distance) P-C4' energy: -48.095
flat angles C4'-P-C4' energy: -44.143
flat angles P-C4'-P energy: -25.926
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: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -644.363089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.363089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.363089 (E_RNA)
where:
Base-Base interactions energy: -434.855
where: short stacking energy: -188.653
Base-Backbone interact. energy: -0.411
local terms energy: -209.097768
where:
bonds (distance) C4'-P energy: -40.154
bonds (distance) P-C4' energy: -42.760
flat angles C4'-P-C4' energy: -47.324
flat angles P-C4'-P energy: -33.610
tors. eta vs tors. theta energy: -45.250
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: 2
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -564.562595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.562595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.562595 (E_RNA)
where:
Base-Base interactions energy: -390.361
where: short stacking energy: -170.598
Base-Backbone interact. energy: 1.391
local terms energy: -175.592604
where:
bonds (distance) C4'-P energy: -33.378
bonds (distance) P-C4' energy: -40.175
flat angles C4'-P-C4' energy: -33.750
flat angles P-C4'-P energy: -33.254
tors. eta vs tors. theta energy: -35.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -514.048268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.048268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.048268 (E_RNA)
where:
Base-Base interactions energy: -326.359
where: short stacking energy: -140.503
Base-Backbone interact. energy: -1.653
local terms energy: -186.035555
where:
bonds (distance) C4'-P energy: -46.446
bonds (distance) P-C4' energy: -41.662
flat angles C4'-P-C4' energy: -46.974
flat angles P-C4'-P energy: -25.043
tors. eta vs tors. theta energy: -25.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -203.009420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.009420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.009420 (E_RNA)
where:
Base-Base interactions energy: -78.141
where: short stacking energy: -63.989
Base-Backbone interact. energy: 1.671
local terms energy: -126.539359
where:
bonds (distance) C4'-P energy: -35.114
bonds (distance) P-C4' energy: -47.683
flat angles C4'-P-C4' energy: -35.880
flat angles P-C4'-P energy: -22.716
tors. eta vs tors. theta energy: 14.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -862.067987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.067987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.067987 (E_RNA)
where:
Base-Base interactions energy: -605.731
where: short stacking energy: -254.445
Base-Backbone interact. energy: -1.307
local terms energy: -255.030423
where:
bonds (distance) C4'-P energy: -41.886
bonds (distance) P-C4' energy: -47.309
flat angles C4'-P-C4' energy: -53.015
flat angles P-C4'-P energy: -34.325
tors. eta vs tors. theta energy: -78.495
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: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -814.969827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.969827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.969827 (E_RNA)
where:
Base-Base interactions energy: -563.822
where: short stacking energy: -244.454
Base-Backbone interact. energy: -0.794
local terms energy: -250.353975
where:
bonds (distance) C4'-P energy: -50.743
bonds (distance) P-C4' energy: -50.852
flat angles C4'-P-C4' energy: -48.811
flat angles P-C4'-P energy: -36.812
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: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -770.085944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.085944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.085944 (E_RNA)
where:
Base-Base interactions energy: -528.237
where: short stacking energy: -226.144
Base-Backbone interact. energy: -0.458
local terms energy: -241.390800
where:
bonds (distance) C4'-P energy: -45.785
bonds (distance) P-C4' energy: -46.574
flat angles C4'-P-C4' energy: -49.040
flat angles P-C4'-P energy: -34.818
tors. eta vs tors. theta energy: -65.173
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: 243
Temperature: 1.050000
Total energy: -726.281961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.281961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.281961 (E_RNA)
where:
Base-Base interactions energy: -507.718
where: short stacking energy: -219.146
Base-Backbone interact. energy: -0.534
local terms energy: -218.030821
where:
bonds (distance) C4'-P energy: -37.517
bonds (distance) P-C4' energy: -41.312
flat angles C4'-P-C4' energy: -46.814
flat angles P-C4'-P energy: -34.087
tors. eta vs tors. theta energy: -58.301
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: 5, replica: 6
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -658.581961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.581961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.581961 (E_RNA)
where:
Base-Base interactions energy: -463.087
where: short stacking energy: -210.610
Base-Backbone interact. energy: -0.398
local terms energy: -195.096621
where:
bonds (distance) C4'-P energy: -36.613
bonds (distance) P-C4' energy: -30.018
flat angles C4'-P-C4' energy: -47.209
flat angles P-C4'-P energy: -30.561
tors. eta vs tors. theta energy: -50.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -707.813386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.813386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.813386 (E_RNA)
where:
Base-Base interactions energy: -496.287
where: short stacking energy: -202.937
Base-Backbone interact. energy: -2.037
local terms energy: -209.488863
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -49.411
flat angles C4'-P-C4' energy: -51.807
flat angles P-C4'-P energy: -31.795
tors. eta vs tors. theta energy: -54.963
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: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -641.795961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.795961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.795961 (E_RNA)
where:
Base-Base interactions energy: -441.853
where: short stacking energy: -203.433
Base-Backbone interact. energy: -0.606
local terms energy: -199.337162
where:
bonds (distance) C4'-P energy: -42.898
bonds (distance) P-C4' energy: -43.230
flat angles C4'-P-C4' energy: -41.468
flat angles P-C4'-P energy: -30.384
tors. eta vs tors. theta energy: -41.357
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: 2
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -538.534836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.534836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.534836 (E_RNA)
where:
Base-Base interactions energy: -367.893
where: short stacking energy: -156.458
Base-Backbone interact. energy: -1.307
local terms energy: -169.335617
where:
bonds (distance) C4'-P energy: -32.451
bonds (distance) P-C4' energy: -39.059
flat angles C4'-P-C4' energy: -41.531
flat angles P-C4'-P energy: -22.664
tors. eta vs tors. theta energy: -33.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -540.755273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.755273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.755273 (E_RNA)
where:
Base-Base interactions energy: -353.079
where: short stacking energy: -147.756
Base-Backbone interact. energy: -0.798
local terms energy: -186.878506
where:
bonds (distance) C4'-P energy: -45.506
bonds (distance) P-C4' energy: -38.705
flat angles C4'-P-C4' energy: -47.626
flat angles P-C4'-P energy: -16.335
tors. eta vs tors. theta energy: -38.706
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: 10
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -225.070073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.070073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.070073 (E_RNA)
where:
Base-Base interactions energy: -85.618
where: short stacking energy: -79.836
Base-Backbone interact. energy: -0.241
local terms energy: -139.211597
where:
bonds (distance) C4'-P energy: -34.668
bonds (distance) P-C4' energy: -40.428
flat angles C4'-P-C4' energy: -42.548
flat angles P-C4'-P energy: -20.431
tors. eta vs tors. theta energy: -1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -857.660306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.660306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.660306 (E_RNA)
where:
Base-Base interactions energy: -597.816
where: short stacking energy: -257.288
Base-Backbone interact. energy: -0.275
local terms energy: -259.569371
where:
bonds (distance) C4'-P energy: -43.184
bonds (distance) P-C4' energy: -46.366
flat angles C4'-P-C4' energy: -51.669
flat angles P-C4'-P energy: -36.504
tors. eta vs tors. theta energy: -81.846
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: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -806.525262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.525262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.525262 (E_RNA)
where:
Base-Base interactions energy: -570.709
where: short stacking energy: -230.150
Base-Backbone interact. energy: 0.318
local terms energy: -236.133953
where:
bonds (distance) C4'-P energy: -50.462
bonds (distance) P-C4' energy: -38.586
flat angles C4'-P-C4' energy: -46.284
flat angles P-C4'-P energy: -40.034
tors. eta vs tors. theta energy: -60.769
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: 3, replica: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -789.246618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.246618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.246618 (E_RNA)
where:
Base-Base interactions energy: -549.761
where: short stacking energy: -236.167
Base-Backbone interact. energy: -1.639
local terms energy: -237.847189
where:
bonds (distance) C4'-P energy: -42.869
bonds (distance) P-C4' energy: -44.760
flat angles C4'-P-C4' energy: -50.508
flat angles P-C4'-P energy: -32.117
tors. eta vs tors. theta energy: -67.593
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: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -743.621082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.621082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.621082 (E_RNA)
where:
Base-Base interactions energy: -528.963
where: short stacking energy: -226.993
Base-Backbone interact. energy: 0.613
local terms energy: -215.271496
where:
bonds (distance) C4'-P energy: -39.711
bonds (distance) P-C4' energy: -43.919
flat angles C4'-P-C4' energy: -48.405
flat angles P-C4'-P energy: -28.607
tors. eta vs tors. theta energy: -54.630
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: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -724.344051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.344051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.344051 (E_RNA)
where:
Base-Base interactions energy: -496.646
where: short stacking energy: -208.304
Base-Backbone interact. energy: -0.999
local terms energy: -226.698601
where:
bonds (distance) C4'-P energy: -45.868
bonds (distance) P-C4' energy: -42.943
flat angles C4'-P-C4' energy: -47.871
flat angles P-C4'-P energy: -38.480
tors. eta vs tors. theta energy: -51.537
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: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -652.638898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.638898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.638898 (E_RNA)
where:
Base-Base interactions energy: -453.896
where: short stacking energy: -192.486
Base-Backbone interact. energy: 2.578
local terms energy: -201.320895
where:
bonds (distance) C4'-P energy: -41.889
bonds (distance) P-C4' energy: -42.578
flat angles C4'-P-C4' energy: -41.204
flat angles P-C4'-P energy: -22.590
tors. eta vs tors. theta energy: -53.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -641.763796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.763796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.763796 (E_RNA)
where:
Base-Base interactions energy: -421.675
where: short stacking energy: -203.322
Base-Backbone interact. energy: 6.910
local terms energy: -226.998728
where:
bonds (distance) C4'-P energy: -46.589
bonds (distance) P-C4' energy: -45.969
flat angles C4'-P-C4' energy: -47.391
flat angles P-C4'-P energy: -36.263
tors. eta vs tors. theta energy: -50.787
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: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -537.714974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.714974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.714974 (E_RNA)
where:
Base-Base interactions energy: -355.851
where: short stacking energy: -160.293
Base-Backbone interact. energy: -0.543
local terms energy: -181.320858
where:
bonds (distance) C4'-P energy: -42.280
bonds (distance) P-C4' energy: -29.835
flat angles C4'-P-C4' energy: -45.318
flat angles P-C4'-P energy: -27.739
tors. eta vs tors. theta energy: -36.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -504.852791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.852791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.852791 (E_RNA)
where:
Base-Base interactions energy: -342.103
where: short stacking energy: -129.615
Base-Backbone interact. energy: -0.947
local terms energy: -161.802708
where:
bonds (distance) C4'-P energy: -37.441
bonds (distance) P-C4' energy: -32.729
flat angles C4'-P-C4' energy: -45.089
flat angles P-C4'-P energy: -30.529
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: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -234.486662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.486662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.486662 (E_RNA)
where:
Base-Base interactions energy: -101.426
where: short stacking energy: -73.589
Base-Backbone interact. energy: -0.548
local terms energy: -132.512047
where:
bonds (distance) C4'-P energy: -33.321
bonds (distance) P-C4' energy: -39.212
flat angles C4'-P-C4' energy: -36.263
flat angles P-C4'-P energy: -22.908
tors. eta vs tors. theta energy: -0.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -855.334392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.334392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.334392 (E_RNA)
where:
Base-Base interactions energy: -586.622
where: short stacking energy: -253.023
Base-Backbone interact. energy: -0.795
local terms energy: -267.917484
where:
bonds (distance) C4'-P energy: -49.538
bonds (distance) P-C4' energy: -44.913
flat angles C4'-P-C4' energy: -57.084
flat angles P-C4'-P energy: -37.062
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: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -822.927396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.927396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.927396 (E_RNA)
where:
Base-Base interactions energy: -570.609
where: short stacking energy: -242.529
Base-Backbone interact. energy: -1.365
local terms energy: -250.953797
where:
bonds (distance) C4'-P energy: -47.293
bonds (distance) P-C4' energy: -47.501
flat angles C4'-P-C4' energy: -59.227
flat angles P-C4'-P energy: -34.660
tors. eta vs tors. theta energy: -62.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -772.924511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.924511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.924511 (E_RNA)
where:
Base-Base interactions energy: -533.936
where: short stacking energy: -229.718
Base-Backbone interact. energy: -1.276
local terms energy: -237.713293
where:
bonds (distance) C4'-P energy: -47.257
bonds (distance) P-C4' energy: -42.831
flat angles C4'-P-C4' energy: -49.920
flat angles P-C4'-P energy: -31.103
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: 7
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -753.510107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.510107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.510107 (E_RNA)
where:
Base-Base interactions energy: -543.400
where: short stacking energy: -216.324
Base-Backbone interact. energy: -1.965
local terms energy: -208.144747
where:
bonds (distance) C4'-P energy: -33.879
bonds (distance) P-C4' energy: -39.714
flat angles C4'-P-C4' energy: -49.416
flat angles P-C4'-P energy: -31.996
tors. eta vs tors. theta energy: -53.139
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: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -721.739206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.739206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.739206 (E_RNA)
where:
Base-Base interactions energy: -497.132
where: short stacking energy: -215.448
Base-Backbone interact. energy: -0.491
local terms energy: -224.116203
where:
bonds (distance) C4'-P energy: -42.002
bonds (distance) P-C4' energy: -39.206
flat angles C4'-P-C4' energy: -48.825
flat angles P-C4'-P energy: -27.880
tors. eta vs tors. theta energy: -66.202
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: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -660.678000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.678000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.678000 (E_RNA)
where:
Base-Base interactions energy: -439.116
where: short stacking energy: -193.390
Base-Backbone interact. energy: -1.144
local terms energy: -220.418111
where:
bonds (distance) C4'-P energy: -45.483
bonds (distance) P-C4' energy: -54.374
flat angles C4'-P-C4' energy: -44.890
flat angles P-C4'-P energy: -26.135
tors. eta vs tors. theta energy: -49.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -647.304416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.304416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.304416 (E_RNA)
where:
Base-Base interactions energy: -433.378
where: short stacking energy: -204.177
Base-Backbone interact. energy: -1.223
local terms energy: -212.703379
where:
bonds (distance) C4'-P energy: -39.590
bonds (distance) P-C4' energy: -41.821
flat angles C4'-P-C4' energy: -48.040
flat angles P-C4'-P energy: -25.686
tors. eta vs tors. theta energy: -57.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -538.839706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.839706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.839706 (E_RNA)
where:
Base-Base interactions energy: -357.250
where: short stacking energy: -158.937
Base-Backbone interact. energy: -1.191
local terms energy: -180.398666
where:
bonds (distance) C4'-P energy: -36.762
bonds (distance) P-C4' energy: -41.482
flat angles C4'-P-C4' energy: -38.486
flat angles P-C4'-P energy: -31.143
tors. eta vs tors. theta energy: -32.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -545.917744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.917744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.917744 (E_RNA)
where:
Base-Base interactions energy: -352.514
where: short stacking energy: -145.985
Base-Backbone interact. energy: -0.429
local terms energy: -192.974433
where:
bonds (distance) C4'-P energy: -44.085
bonds (distance) P-C4' energy: -44.233
flat angles C4'-P-C4' energy: -40.391
flat angles P-C4'-P energy: -26.700
tors. eta vs tors. theta energy: -37.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -276.669873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.669873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.669873 (E_RNA)
where:
Base-Base interactions energy: -146.002
where: short stacking energy: -89.752
Base-Backbone interact. energy: -0.392
local terms energy: -130.276056
where:
bonds (distance) C4'-P energy: -33.201
bonds (distance) P-C4' energy: -38.233
flat angles C4'-P-C4' energy: -40.845
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -856.187967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.187967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.187967 (E_RNA)
where:
Base-Base interactions energy: -596.538
where: short stacking energy: -250.597
Base-Backbone interact. energy: -0.474
local terms energy: -259.176795
where:
bonds (distance) C4'-P energy: -38.053
bonds (distance) P-C4' energy: -51.763
flat angles C4'-P-C4' energy: -53.721
flat angles P-C4'-P energy: -38.199
tors. eta vs tors. theta energy: -77.441
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: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -811.961008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.961008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.961008 (E_RNA)
where:
Base-Base interactions energy: -570.750
where: short stacking energy: -225.277
Base-Backbone interact. energy: -1.284
local terms energy: -239.927643
where:
bonds (distance) C4'-P energy: -46.212
bonds (distance) P-C4' energy: -42.585
flat angles C4'-P-C4' energy: -53.632
flat angles P-C4'-P energy: -34.456
tors. eta vs tors. theta energy: -63.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -754.934193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.934193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.934193 (E_RNA)
where:
Base-Base interactions energy: -520.682
where: short stacking energy: -193.395
Base-Backbone interact. energy: -2.328
local terms energy: -231.924201
where:
bonds (distance) C4'-P energy: -45.590
bonds (distance) P-C4' energy: -44.370
flat angles C4'-P-C4' energy: -50.655
flat angles P-C4'-P energy: -40.338
tors. eta vs tors. theta energy: -50.971
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: 1
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -734.927101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.927101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.927101 (E_RNA)
where:
Base-Base interactions energy: -503.442
where: short stacking energy: -217.789
Base-Backbone interact. energy: -0.213
local terms energy: -231.272182
where:
bonds (distance) C4'-P energy: -41.137
bonds (distance) P-C4' energy: -52.608
flat angles C4'-P-C4' energy: -42.028
flat angles P-C4'-P energy: -36.278
tors. eta vs tors. theta energy: -59.221
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: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -708.302370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.302370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.302370 (E_RNA)
where:
Base-Base interactions energy: -485.839
where: short stacking energy: -201.671
Base-Backbone interact. energy: 2.231
local terms energy: -224.694507
where:
bonds (distance) C4'-P energy: -44.181
bonds (distance) P-C4' energy: -48.526
flat angles C4'-P-C4' energy: -50.684
flat angles P-C4'-P energy: -25.046
tors. eta vs tors. theta energy: -56.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -652.607625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.607625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.607625 (E_RNA)
where:
Base-Base interactions energy: -437.588
where: short stacking energy: -195.226
Base-Backbone interact. energy: -1.423
local terms energy: -213.596982
where:
bonds (distance) C4'-P energy: -39.927
bonds (distance) P-C4' energy: -45.854
flat angles C4'-P-C4' energy: -51.704
flat angles P-C4'-P energy: -31.456
tors. eta vs tors. theta energy: -44.656
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: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -643.786092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.786092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.786092 (E_RNA)
where:
Base-Base interactions energy: -453.679
where: short stacking energy: -211.753
Base-Backbone interact. energy: 2.908
local terms energy: -193.015893
where:
bonds (distance) C4'-P energy: -33.634
bonds (distance) P-C4' energy: -33.345
flat angles C4'-P-C4' energy: -40.349
flat angles P-C4'-P energy: -31.361
tors. eta vs tors. theta energy: -54.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -557.235796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.235796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.235796 (E_RNA)
where:
Base-Base interactions energy: -380.996
where: short stacking energy: -159.226
Base-Backbone interact. energy: -1.870
local terms energy: -174.370613
where:
bonds (distance) C4'-P energy: -30.873
bonds (distance) P-C4' energy: -36.585
flat angles C4'-P-C4' energy: -47.300
flat angles P-C4'-P energy: -23.558
tors. eta vs tors. theta energy: -36.053
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: 2
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -581.578449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.578449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.578449 (E_RNA)
where:
Base-Base interactions energy: -403.823
where: short stacking energy: -172.857
Base-Backbone interact. energy: -0.737
local terms energy: -177.018311
where:
bonds (distance) C4'-P energy: -31.507
bonds (distance) P-C4' energy: -31.535
flat angles C4'-P-C4' energy: -40.482
flat angles P-C4'-P energy: -33.524
tors. eta vs tors. theta energy: -39.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -290.974071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.974071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.974071 (E_RNA)
where:
Base-Base interactions energy: -141.290
where: short stacking energy: -100.553
Base-Backbone interact. energy: -1.297
local terms energy: -148.386854
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -39.791
flat angles C4'-P-C4' energy: -43.118
flat angles P-C4'-P energy: -25.656
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -863.190437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.190437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.190437 (E_RNA)
where:
Base-Base interactions energy: -591.351
where: short stacking energy: -261.407
Base-Backbone interact. energy: -0.241
local terms energy: -271.598548
where:
bonds (distance) C4'-P energy: -43.437
bonds (distance) P-C4' energy: -48.987
flat angles C4'-P-C4' energy: -56.140
flat angles P-C4'-P energy: -43.249
tors. eta vs tors. theta energy: -79.786
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: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -787.503265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.503265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.503265 (E_RNA)
where:
Base-Base interactions energy: -556.787
where: short stacking energy: -234.452
Base-Backbone interact. energy: -1.475
local terms energy: -229.241218
where:
bonds (distance) C4'-P energy: -39.045
bonds (distance) P-C4' energy: -46.996
flat angles C4'-P-C4' energy: -51.030
flat angles P-C4'-P energy: -36.417
tors. eta vs tors. theta energy: -55.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -798.034129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.034129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.034129 (E_RNA)
where:
Base-Base interactions energy: -556.129
where: short stacking energy: -214.484
Base-Backbone interact. energy: -1.335
local terms energy: -240.570525
where:
bonds (distance) C4'-P energy: -48.597
bonds (distance) P-C4' energy: -44.287
flat angles C4'-P-C4' energy: -47.415
flat angles P-C4'-P energy: -39.370
tors. eta vs tors. theta energy: -60.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -745.425341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.425341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.425341 (E_RNA)
where:
Base-Base interactions energy: -505.966
where: short stacking energy: -210.384
Base-Backbone interact. energy: -0.089
local terms energy: -239.370209
where:
bonds (distance) C4'-P energy: -44.952
bonds (distance) P-C4' energy: -48.852
flat angles C4'-P-C4' energy: -47.784
flat angles P-C4'-P energy: -32.899
tors. eta vs tors. theta energy: -64.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -711.201650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.201650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.201650 (E_RNA)
where:
Base-Base interactions energy: -489.958
where: short stacking energy: -215.141
Base-Backbone interact. energy: -1.181
local terms energy: -220.063066
where:
bonds (distance) C4'-P energy: -38.908
bonds (distance) P-C4' energy: -44.398
flat angles C4'-P-C4' energy: -42.991
flat angles P-C4'-P energy: -36.040
tors. eta vs tors. theta energy: -57.727
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: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -668.725722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.725722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.725722 (E_RNA)
where:
Base-Base interactions energy: -442.393
where: short stacking energy: -198.567
Base-Backbone interact. energy: -0.415
local terms energy: -225.917669
where:
bonds (distance) C4'-P energy: -43.074
bonds (distance) P-C4' energy: -49.437
flat angles C4'-P-C4' energy: -43.746
flat angles P-C4'-P energy: -38.010
tors. eta vs tors. theta energy: -51.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -629.711776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.711776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.711776 (E_RNA)
where:
Base-Base interactions energy: -434.415
where: short stacking energy: -193.586
Base-Backbone interact. energy: -1.087
local terms energy: -194.209632
where:
bonds (distance) C4'-P energy: -32.327
bonds (distance) P-C4' energy: -39.187
flat angles C4'-P-C4' energy: -50.865
flat angles P-C4'-P energy: -21.631
tors. eta vs tors. theta energy: -50.199
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: 2
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -609.512441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.512441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.512441 (E_RNA)
where:
Base-Base interactions energy: -419.929
where: short stacking energy: -178.107
Base-Backbone interact. energy: -1.297
local terms energy: -188.286299
where:
bonds (distance) C4'-P energy: -32.998
bonds (distance) P-C4' energy: -37.920
flat angles C4'-P-C4' energy: -39.658
flat angles P-C4'-P energy: -33.368
tors. eta vs tors. theta energy: -44.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -574.648540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.648540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.648540 (E_RNA)
where:
Base-Base interactions energy: -403.572
where: short stacking energy: -157.011
Base-Backbone interact. energy: 0.879
local terms energy: -171.956450
where:
bonds (distance) C4'-P energy: -36.688
bonds (distance) P-C4' energy: -40.310
flat angles C4'-P-C4' energy: -33.527
flat angles P-C4'-P energy: -30.682
tors. eta vs tors. theta energy: -30.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -194.146696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.146696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.146696 (E_RNA)
where:
Base-Base interactions energy: -69.143
where: short stacking energy: -57.535
Base-Backbone interact. energy: -0.821
local terms energy: -124.182540
where:
bonds (distance) C4'-P energy: -42.144
bonds (distance) P-C4' energy: -38.686
flat angles C4'-P-C4' energy: -33.194
flat angles P-C4'-P energy: -14.056
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: 5
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -865.216153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.216153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.216153 (E_RNA)
where:
Base-Base interactions energy: -609.949
where: short stacking energy: -261.093
Base-Backbone interact. energy: -2.524
local terms energy: -252.743432
where:
bonds (distance) C4'-P energy: -44.598
bonds (distance) P-C4' energy: -42.371
flat angles C4'-P-C4' energy: -49.939
flat angles P-C4'-P energy: -38.232
tors. eta vs tors. theta energy: -77.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -762.237793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.237793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.237793 (E_RNA)
where:
Base-Base interactions energy: -538.703
where: short stacking energy: -225.055
Base-Backbone interact. energy: -2.756
local terms energy: -220.778570
where:
bonds (distance) C4'-P energy: -41.642
bonds (distance) P-C4' energy: -45.611
flat angles C4'-P-C4' energy: -46.328
flat angles P-C4'-P energy: -32.156
tors. eta vs tors. theta energy: -55.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -812.671715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.671715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.671715 (E_RNA)
where:
Base-Base interactions energy: -571.628
where: short stacking energy: -223.434
Base-Backbone interact. energy: 1.208
local terms energy: -242.252197
where:
bonds (distance) C4'-P energy: -45.977
bonds (distance) P-C4' energy: -40.895
flat angles C4'-P-C4' energy: -51.556
flat angles P-C4'-P energy: -38.961
tors. eta vs tors. theta energy: -64.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -711.399458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.399458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.399458 (E_RNA)
where:
Base-Base interactions energy: -487.074
where: short stacking energy: -213.446
Base-Backbone interact. energy: -0.271
local terms energy: -224.054794
where:
bonds (distance) C4'-P energy: -44.373
bonds (distance) P-C4' energy: -47.094
flat angles C4'-P-C4' energy: -49.007
flat angles P-C4'-P energy: -31.041
tors. eta vs tors. theta energy: -52.540
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: 248
Temperature: 1.100000
Total energy: -692.786160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.786160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.786160 (E_RNA)
where:
Base-Base interactions energy: -450.597
where: short stacking energy: -202.667
Base-Backbone interact. energy: -0.170
local terms energy: -242.018862
where:
bonds (distance) C4'-P energy: -43.495
bonds (distance) P-C4' energy: -44.905
flat angles C4'-P-C4' energy: -53.296
flat angles P-C4'-P energy: -37.633
tors. eta vs tors. theta energy: -62.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -689.594946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.594946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.594946 (E_RNA)
where:
Base-Base interactions energy: -475.476
where: short stacking energy: -200.719
Base-Backbone interact. energy: -0.634
local terms energy: -213.484596
where:
bonds (distance) C4'-P energy: -42.791
bonds (distance) P-C4' energy: -45.535
flat angles C4'-P-C4' energy: -45.871
flat angles P-C4'-P energy: -26.998
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: 7, replica: 2
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -622.878295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.878295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.878295 (E_RNA)
where:
Base-Base interactions energy: -427.196
where: short stacking energy: -190.941
Base-Backbone interact. energy: -0.301
local terms energy: -195.381408
where:
bonds (distance) C4'-P energy: -39.412
bonds (distance) P-C4' energy: -46.881
flat angles C4'-P-C4' energy: -44.230
flat angles P-C4'-P energy: -26.237
tors. eta vs tors. theta energy: -38.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -619.396713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.396713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.396713 (E_RNA)
where:
Base-Base interactions energy: -429.016
where: short stacking energy: -182.712
Base-Backbone interact. energy: -0.243
local terms energy: -190.138035
where:
bonds (distance) C4'-P energy: -44.663
bonds (distance) P-C4' energy: -32.423
flat angles C4'-P-C4' energy: -47.462
flat angles P-C4'-P energy: -28.016
tors. eta vs tors. theta energy: -37.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -550.203705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.203705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.203705 (E_RNA)
where:
Base-Base interactions energy: -378.354
where: short stacking energy: -157.434
Base-Backbone interact. energy: -0.460
local terms energy: -171.390174
where:
bonds (distance) C4'-P energy: -39.082
bonds (distance) P-C4' energy: -32.960
flat angles C4'-P-C4' energy: -39.512
flat angles P-C4'-P energy: -26.849
tors. eta vs tors. theta energy: -32.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -205.732836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.732836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.732836 (E_RNA)
where:
Base-Base interactions energy: -76.691
where: short stacking energy: -69.351
Base-Backbone interact. energy: 0.829
local terms energy: -129.870666
where:
bonds (distance) C4'-P energy: -32.345
bonds (distance) P-C4' energy: -41.959
flat angles C4'-P-C4' energy: -34.732
flat angles P-C4'-P energy: -19.659
tors. eta vs tors. theta energy: -1.176
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: 1, replica: 5
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -861.828094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.828094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.828094 (E_RNA)
where:
Base-Base interactions energy: -600.380
where: short stacking energy: -250.491
Base-Backbone interact. energy: 1.688
local terms energy: -263.136946
where:
bonds (distance) C4'-P energy: -45.888
bonds (distance) P-C4' energy: -47.016
flat angles C4'-P-C4' energy: -51.834
flat angles P-C4'-P energy: -37.271
tors. eta vs tors. theta energy: -81.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -826.057782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.057782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.057782 (E_RNA)
where:
Base-Base interactions energy: -581.833
where: short stacking energy: -223.891
Base-Backbone interact. energy: 1.911
local terms energy: -246.135367
where:
bonds (distance) C4'-P energy: -38.370
bonds (distance) P-C4' energy: -46.828
flat angles C4'-P-C4' energy: -55.235
flat angles P-C4'-P energy: -42.402
tors. eta vs tors. theta energy: -63.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -761.942470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.942470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.942470 (E_RNA)
where:
Base-Base interactions energy: -535.246
where: short stacking energy: -213.677
Base-Backbone interact. energy: -1.473
local terms energy: -225.222813
where:
bonds (distance) C4'-P energy: -49.897
bonds (distance) P-C4' energy: -41.144
flat angles C4'-P-C4' energy: -45.676
flat angles P-C4'-P energy: -38.471
tors. eta vs tors. theta energy: -50.034
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: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -722.666443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.666443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.666443 (E_RNA)
where:
Base-Base interactions energy: -490.888
where: short stacking energy: -216.573
Base-Backbone interact. energy: -1.207
local terms energy: -230.572238
where:
bonds (distance) C4'-P energy: -42.799
bonds (distance) P-C4' energy: -48.187
flat angles C4'-P-C4' energy: -51.815
flat angles P-C4'-P energy: -31.899
tors. eta vs tors. theta energy: -55.872
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: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -702.629715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.629715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.629715 (E_RNA)
where:
Base-Base interactions energy: -485.218
where: short stacking energy: -209.985
Base-Backbone interact. energy: -0.552
local terms energy: -216.859559
where:
bonds (distance) C4'-P energy: -42.349
bonds (distance) P-C4' energy: -40.563
flat angles C4'-P-C4' energy: -47.080
flat angles P-C4'-P energy: -30.659
tors. eta vs tors. theta energy: -56.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -706.913604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.913604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.913604 (E_RNA)
where:
Base-Base interactions energy: -481.961
where: short stacking energy: -197.202
Base-Backbone interact. energy: -0.748
local terms energy: -224.204710
where:
bonds (distance) C4'-P energy: -52.365
bonds (distance) P-C4' energy: -44.421
flat angles C4'-P-C4' energy: -39.512
flat angles P-C4'-P energy: -32.995
tors. eta vs tors. theta energy: -54.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -652.070182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.070182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.070182 (E_RNA)
where:
Base-Base interactions energy: -442.982
where: short stacking energy: -186.907
Base-Backbone interact. energy: -1.097
local terms energy: -207.991257
where:
bonds (distance) C4'-P energy: -53.631
bonds (distance) P-C4' energy: -39.486
flat angles C4'-P-C4' energy: -44.407
flat angles P-C4'-P energy: -22.807
tors. eta vs tors. theta energy: -47.660
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: 8, replica: 3
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -608.663274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.663274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.663274 (E_RNA)
where:
Base-Base interactions energy: -418.396
where: short stacking energy: -183.388
Base-Backbone interact. energy: -1.815
local terms energy: -188.452444
where:
bonds (distance) C4'-P energy: -43.451
bonds (distance) P-C4' energy: -38.833
flat angles C4'-P-C4' energy: -36.328
flat angles P-C4'-P energy: -27.010
tors. eta vs tors. theta energy: -42.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -542.047452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.047452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.047452 (E_RNA)
where:
Base-Base interactions energy: -384.674
where: short stacking energy: -163.466
Base-Backbone interact. energy: 2.934
local terms energy: -160.307283
where:
bonds (distance) C4'-P energy: -30.026
bonds (distance) P-C4' energy: -35.649
flat angles C4'-P-C4' energy: -38.160
flat angles P-C4'-P energy: -26.020
tors. eta vs tors. theta energy: -30.453
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: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -246.431093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.431093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.431093 (E_RNA)
where:
Base-Base interactions energy: -136.423
where: short stacking energy: -81.985
Base-Backbone interact. energy: 2.318
local terms energy: -112.326059
where:
bonds (distance) C4'-P energy: -31.403
bonds (distance) P-C4' energy: -34.237
flat angles C4'-P-C4' energy: -31.961
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -859.355211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.355211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.355211 (E_RNA)
where:
Base-Base interactions energy: -606.548
where: short stacking energy: -274.233
Base-Backbone interact. energy: -2.323
local terms energy: -250.484667
where:
bonds (distance) C4'-P energy: -41.941
bonds (distance) P-C4' energy: -50.804
flat angles C4'-P-C4' energy: -48.068
flat angles P-C4'-P energy: -28.494
tors. eta vs tors. theta energy: -81.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -833.645772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.645772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.645772 (E_RNA)
where:
Base-Base interactions energy: -591.355
where: short stacking energy: -224.549
Base-Backbone interact. energy: -0.892
local terms energy: -241.398627
where:
bonds (distance) C4'-P energy: -45.848
bonds (distance) P-C4' energy: -38.527
flat angles C4'-P-C4' energy: -55.635
flat angles P-C4'-P energy: -36.922
tors. eta vs tors. theta energy: -64.467
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: 3, replica: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -763.166090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.166090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.166090 (E_RNA)
where:
Base-Base interactions energy: -527.315
where: short stacking energy: -212.682
Base-Backbone interact. energy: -2.211
local terms energy: -233.640549
where:
bonds (distance) C4'-P energy: -50.605
bonds (distance) P-C4' energy: -49.043
flat angles C4'-P-C4' energy: -50.868
flat angles P-C4'-P energy: -26.852
tors. eta vs tors. theta energy: -56.272
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: 250
Temperature: 1.050000
Total energy: -716.632845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.632845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.632845 (E_RNA)
where:
Base-Base interactions energy: -471.453
where: short stacking energy: -217.789
Base-Backbone interact. energy: -1.623
local terms energy: -243.556801
where:
bonds (distance) C4'-P energy: -45.619
bonds (distance) P-C4' energy: -44.389
flat angles C4'-P-C4' energy: -52.723
flat angles P-C4'-P energy: -36.802
tors. eta vs tors. theta energy: -64.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -702.759112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.759112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.759112 (E_RNA)
where:
Base-Base interactions energy: -480.128
where: short stacking energy: -192.345
Base-Backbone interact. energy: 0.247
local terms energy: -222.877410
where:
bonds (distance) C4'-P energy: -48.715
bonds (distance) P-C4' energy: -46.985
flat angles C4'-P-C4' energy: -46.934
flat angles P-C4'-P energy: -31.956
tors. eta vs tors. theta energy: -48.288
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: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -674.153475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.153475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.153475 (E_RNA)
where:
Base-Base interactions energy: -467.808
where: short stacking energy: -212.267
Base-Backbone interact. energy: -0.420
local terms energy: -205.925382
where:
bonds (distance) C4'-P energy: -38.287
bonds (distance) P-C4' energy: -45.574
flat angles C4'-P-C4' energy: -46.443
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -56.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -636.279815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.279815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.279815 (E_RNA)
where:
Base-Base interactions energy: -415.667
where: short stacking energy: -187.304
Base-Backbone interact. energy: 1.065
local terms energy: -221.677401
where:
bonds (distance) C4'-P energy: -46.817
bonds (distance) P-C4' energy: -45.324
flat angles C4'-P-C4' energy: -40.874
flat angles P-C4'-P energy: -29.877
tors. eta vs tors. theta energy: -58.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -576.146194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.146194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.146194 (E_RNA)
where:
Base-Base interactions energy: -373.006
where: short stacking energy: -167.579
Base-Backbone interact. energy: -2.339
local terms energy: -200.800881
where:
bonds (distance) C4'-P energy: -33.592
bonds (distance) P-C4' energy: -47.688
flat angles C4'-P-C4' energy: -43.355
flat angles P-C4'-P energy: -31.918
tors. eta vs tors. theta energy: -44.248
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: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -548.271035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.271035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.271035 (E_RNA)
where:
Base-Base interactions energy: -354.603
where: short stacking energy: -143.659
Base-Backbone interact. energy: -1.642
local terms energy: -192.025654
where:
bonds (distance) C4'-P energy: -40.026
bonds (distance) P-C4' energy: -52.291
flat angles C4'-P-C4' energy: -42.663
flat angles P-C4'-P energy: -26.772
tors. eta vs tors. theta energy: -30.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -228.819575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.819575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.819575 (E_RNA)
where:
Base-Base interactions energy: -96.817
where: short stacking energy: -69.840
Base-Backbone interact. energy: -1.185
local terms energy: -130.817499
where:
bonds (distance) C4'-P energy: -37.403
bonds (distance) P-C4' energy: -40.934
flat angles C4'-P-C4' energy: -26.191
flat angles P-C4'-P energy: -33.460
tors. eta vs tors. theta energy: 7.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -852.430122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.430122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.430122 (E_RNA)
where:
Base-Base interactions energy: -587.024
where: short stacking energy: -255.672
Base-Backbone interact. energy: -0.068
local terms energy: -265.338378
where:
bonds (distance) C4'-P energy: -46.951
bonds (distance) P-C4' energy: -44.614
flat angles C4'-P-C4' energy: -56.004
flat angles P-C4'-P energy: -37.261
tors. eta vs tors. theta energy: -80.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -834.118176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.118176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.118176 (E_RNA)
where:
Base-Base interactions energy: -583.478
where: short stacking energy: -231.614
Base-Backbone interact. energy: -0.179
local terms energy: -250.460697
where:
bonds (distance) C4'-P energy: -48.519
bonds (distance) P-C4' energy: -45.742
flat angles C4'-P-C4' energy: -52.702
flat angles P-C4'-P energy: -38.358
tors. eta vs tors. theta energy: -65.140
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: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -765.689514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.689514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.689514 (E_RNA)
where:
Base-Base interactions energy: -532.748
where: short stacking energy: -217.491
Base-Backbone interact. energy: -3.846
local terms energy: -229.094700
where:
bonds (distance) C4'-P energy: -44.868
bonds (distance) P-C4' energy: -40.716
flat angles C4'-P-C4' energy: -47.280
flat angles P-C4'-P energy: -37.455
tors. eta vs tors. theta energy: -58.776
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: 4
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -749.188014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.188014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.188014 (E_RNA)
where:
Base-Base interactions energy: -508.443
where: short stacking energy: -219.225
Base-Backbone interact. energy: -1.558
local terms energy: -239.186534
where:
bonds (distance) C4'-P energy: -45.930
bonds (distance) P-C4' energy: -41.403
flat angles C4'-P-C4' energy: -49.421
flat angles P-C4'-P energy: -38.001
tors. eta vs tors. theta energy: -64.431
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: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -726.710890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.710890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.710890 (E_RNA)
where:
Base-Base interactions energy: -499.392
where: short stacking energy: -212.473
Base-Backbone interact. energy: -1.219
local terms energy: -226.099027
where:
bonds (distance) C4'-P energy: -41.811
bonds (distance) P-C4' energy: -44.120
flat angles C4'-P-C4' energy: -49.948
flat angles P-C4'-P energy: -30.151
tors. eta vs tors. theta energy: -60.069
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: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -677.385052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.385052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.385052 (E_RNA)
where:
Base-Base interactions energy: -452.587
where: short stacking energy: -204.961
Base-Backbone interact. energy: -1.133
local terms energy: -223.664927
where:
bonds (distance) C4'-P energy: -47.050
bonds (distance) P-C4' energy: -42.372
flat angles C4'-P-C4' energy: -53.814
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -57.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -631.148498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.148498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.148498 (E_RNA)
where:
Base-Base interactions energy: -417.520
where: short stacking energy: -172.275
Base-Backbone interact. energy: -1.638
local terms energy: -211.990882
where:
bonds (distance) C4'-P energy: -44.576
bonds (distance) P-C4' energy: -52.033
flat angles C4'-P-C4' energy: -47.926
flat angles P-C4'-P energy: -25.127
tors. eta vs tors. theta energy: -42.330
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: 9
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -562.400968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.400968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.400968 (E_RNA)
where:
Base-Base interactions energy: -387.637
where: short stacking energy: -164.372
Base-Backbone interact. energy: -0.290
local terms energy: -174.474058
where:
bonds (distance) C4'-P energy: -37.233
bonds (distance) P-C4' energy: -41.373
flat angles C4'-P-C4' energy: -44.137
flat angles P-C4'-P energy: -24.550
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: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -512.451368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.451368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.451368 (E_RNA)
where:
Base-Base interactions energy: -336.237
where: short stacking energy: -147.097
Base-Backbone interact. energy: -1.637
local terms energy: -174.576702
where:
bonds (distance) C4'-P energy: -41.315
bonds (distance) P-C4' energy: -39.337
flat angles C4'-P-C4' energy: -40.469
flat angles P-C4'-P energy: -23.756
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: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -214.710112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.710112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.710112 (E_RNA)
where:
Base-Base interactions energy: -82.674
where: short stacking energy: -73.359
Base-Backbone interact. energy: -1.057
local terms energy: -130.979116
where:
bonds (distance) C4'-P energy: -33.404
bonds (distance) P-C4' energy: -38.968
flat angles C4'-P-C4' energy: -39.166
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: -2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -833.683956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.683956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.683956 (E_RNA)
where:
Base-Base interactions energy: -584.884
where: short stacking energy: -232.112
Base-Backbone interact. energy: -2.573
local terms energy: -246.227055
where:
bonds (distance) C4'-P energy: -48.644
bonds (distance) P-C4' energy: -48.306
flat angles C4'-P-C4' energy: -42.909
flat angles P-C4'-P energy: -38.630
tors. eta vs tors. theta energy: -67.738
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: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -845.714732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.714732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.714732 (E_RNA)
where:
Base-Base interactions energy: -587.054
where: short stacking energy: -267.552
Base-Backbone interact. energy: -0.528
local terms energy: -258.132584
where:
bonds (distance) C4'-P energy: -49.295
bonds (distance) P-C4' energy: -49.880
flat angles C4'-P-C4' energy: -46.122
flat angles P-C4'-P energy: -36.004
tors. eta vs tors. theta energy: -76.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -784.074729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.074729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.074729 (E_RNA)
where:
Base-Base interactions energy: -558.571
where: short stacking energy: -231.141
Base-Backbone interact. energy: -0.456
local terms energy: -225.047859
where:
bonds (distance) C4'-P energy: -39.160
bonds (distance) P-C4' energy: -38.421
flat angles C4'-P-C4' energy: -54.646
flat angles P-C4'-P energy: -34.170
tors. eta vs tors. theta energy: -58.652
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: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -726.768962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.768962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.768962 (E_RNA)
where:
Base-Base interactions energy: -487.725
where: short stacking energy: -213.426
Base-Backbone interact. energy: -1.563
local terms energy: -237.481435
where:
bonds (distance) C4'-P energy: -45.727
bonds (distance) P-C4' energy: -47.750
flat angles C4'-P-C4' energy: -54.738
flat angles P-C4'-P energy: -26.949
tors. eta vs tors. theta energy: -62.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -705.622563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.622563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.622563 (E_RNA)
where:
Base-Base interactions energy: -489.387
where: short stacking energy: -211.158
Base-Backbone interact. energy: -1.193
local terms energy: -215.042459
where:
bonds (distance) C4'-P energy: -33.707
bonds (distance) P-C4' energy: -44.809
flat angles C4'-P-C4' energy: -49.329
flat angles P-C4'-P energy: -26.950
tors. eta vs tors. theta energy: -60.247
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: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -703.388322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.388322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.388322 (E_RNA)
where:
Base-Base interactions energy: -495.662
where: short stacking energy: -211.837
Base-Backbone interact. energy: -0.991
local terms energy: -206.735634
where:
bonds (distance) C4'-P energy: -37.930
bonds (distance) P-C4' energy: -44.222
flat angles C4'-P-C4' energy: -45.886
flat angles P-C4'-P energy: -26.177
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: 7, replica: 9
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -594.929506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.929506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.929506 (E_RNA)
where:
Base-Base interactions energy: -396.498
where: short stacking energy: -167.646
Base-Backbone interact. energy: -3.324
local terms energy: -195.107636
where:
bonds (distance) C4'-P energy: -43.144
bonds (distance) P-C4' energy: -38.698
flat angles C4'-P-C4' energy: -40.013
flat angles P-C4'-P energy: -32.720
tors. eta vs tors. theta energy: -40.533
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: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -591.245771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.245771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.245771 (E_RNA)
where:
Base-Base interactions energy: -418.663
where: short stacking energy: -185.483
Base-Backbone interact. energy: -0.569
local terms energy: -172.013651
where:
bonds (distance) C4'-P energy: -40.863
bonds (distance) P-C4' energy: -32.776
flat angles C4'-P-C4' energy: -39.007
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -38.624
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: 9, replica: 2
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -476.050815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.050815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.050815 (E_RNA)
where:
Base-Base interactions energy: -303.621
where: short stacking energy: -131.732
Base-Backbone interact. energy: -0.914
local terms energy: -171.514906
where:
bonds (distance) C4'-P energy: -30.874
bonds (distance) P-C4' energy: -43.007
flat angles C4'-P-C4' energy: -48.327
flat angles P-C4'-P energy: -26.319
tors. eta vs tors. theta energy: -22.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -212.551413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.551413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.551413 (E_RNA)
where:
Base-Base interactions energy: -76.913
where: short stacking energy: -54.254
Base-Backbone interact. energy: -0.620
local terms energy: -135.018747
where:
bonds (distance) C4'-P energy: -46.890
bonds (distance) P-C4' energy: -34.905
flat angles C4'-P-C4' energy: -27.610
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: 0.074
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: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -842.670447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.670447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.670447 (E_RNA)
where:
Base-Base interactions energy: -592.627
where: short stacking energy: -248.749
Base-Backbone interact. energy: -0.393
local terms energy: -249.650366
where:
bonds (distance) C4'-P energy: -36.546
bonds (distance) P-C4' energy: -46.671
flat angles C4'-P-C4' energy: -57.037
flat angles P-C4'-P energy: -38.452
tors. eta vs tors. theta energy: -70.943
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: 2, replica: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -845.865746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.865746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.865746 (E_RNA)
where:
Base-Base interactions energy: -595.833
where: short stacking energy: -258.412
Base-Backbone interact. energy: -0.074
local terms energy: -249.959251
where:
bonds (distance) C4'-P energy: -43.979
bonds (distance) P-C4' energy: -40.826
flat angles C4'-P-C4' energy: -53.681
flat angles P-C4'-P energy: -35.008
tors. eta vs tors. theta energy: -76.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -774.019965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.019965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.019965 (E_RNA)
where:
Base-Base interactions energy: -546.526
where: short stacking energy: -223.021
Base-Backbone interact. energy: -1.656
local terms energy: -225.838531
where:
bonds (distance) C4'-P energy: -43.626
bonds (distance) P-C4' energy: -43.565
flat angles C4'-P-C4' energy: -48.363
flat angles P-C4'-P energy: -34.580
tors. eta vs tors. theta energy: -55.705
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: 4
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -750.177824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.177824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.177824 (E_RNA)
where:
Base-Base interactions energy: -522.730
where: short stacking energy: -228.487
Base-Backbone interact. energy: 1.314
local terms energy: -228.762482
where:
bonds (distance) C4'-P energy: -43.238
bonds (distance) P-C4' energy: -38.933
flat angles C4'-P-C4' energy: -49.621
flat angles P-C4'-P energy: -32.330
tors. eta vs tors. theta energy: -64.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -705.150413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.150413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.150413 (E_RNA)
where:
Base-Base interactions energy: -495.573
where: short stacking energy: -208.801
Base-Backbone interact. energy: -1.109
local terms energy: -208.468512
where:
bonds (distance) C4'-P energy: -33.621
bonds (distance) P-C4' energy: -45.379
flat angles C4'-P-C4' energy: -43.518
flat angles P-C4'-P energy: -29.003
tors. eta vs tors. theta energy: -56.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -705.774427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.774427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.774427 (E_RNA)
where:
Base-Base interactions energy: -487.256
where: short stacking energy: -218.509
Base-Backbone interact. energy: -0.992
local terms energy: -217.526445
where:
bonds (distance) C4'-P energy: -42.649
bonds (distance) P-C4' energy: -40.886
flat angles C4'-P-C4' energy: -47.100
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -62.101
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: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -605.876980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.876980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.876980 (E_RNA)
where:
Base-Base interactions energy: -424.612
where: short stacking energy: -176.424
Base-Backbone interact. energy: 1.746
local terms energy: -183.010991
where:
bonds (distance) C4'-P energy: -38.467
bonds (distance) P-C4' energy: -34.733
flat angles C4'-P-C4' energy: -41.252
flat angles P-C4'-P energy: -25.983
tors. eta vs tors. theta energy: -42.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -574.901509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.901509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.901509 (E_RNA)
where:
Base-Base interactions energy: -393.776
where: short stacking energy: -171.261
Base-Backbone interact. energy: -0.273
local terms energy: -180.852062
where:
bonds (distance) C4'-P energy: -34.467
bonds (distance) P-C4' energy: -37.715
flat angles C4'-P-C4' energy: -45.866
flat angles P-C4'-P energy: -21.402
tors. eta vs tors. theta energy: -41.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -472.487894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.487894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.487894 (E_RNA)
where:
Base-Base interactions energy: -330.633
where: short stacking energy: -144.145
Base-Backbone interact. energy: 0.196
local terms energy: -142.051113
where:
bonds (distance) C4'-P energy: -29.366
bonds (distance) P-C4' energy: -32.150
flat angles C4'-P-C4' energy: -43.250
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -23.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -219.790615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.790615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.790615 (E_RNA)
where:
Base-Base interactions energy: -81.682
where: short stacking energy: -61.273
Base-Backbone interact. energy: 0.488
local terms energy: -138.596882
where:
bonds (distance) C4'-P energy: -45.238
bonds (distance) P-C4' energy: -46.069
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -21.780
tors. eta vs tors. theta energy: -4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -839.718610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.718610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.718610 (E_RNA)
where:
Base-Base interactions energy: -583.156
where: short stacking energy: -235.318
Base-Backbone interact. energy: 0.097
local terms energy: -256.658864
where:
bonds (distance) C4'-P energy: -50.833
bonds (distance) P-C4' energy: -50.223
flat angles C4'-P-C4' energy: -55.003
flat angles P-C4'-P energy: -36.583
tors. eta vs tors. theta energy: -64.017
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: 5
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -853.562879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.562879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.562879 (E_RNA)
where:
Base-Base interactions energy: -594.156
where: short stacking energy: -253.059
Base-Backbone interact. energy: -1.135
local terms energy: -258.272108
where:
bonds (distance) C4'-P energy: -43.174
bonds (distance) P-C4' energy: -47.092
flat angles C4'-P-C4' energy: -50.212
flat angles P-C4'-P energy: -40.244
tors. eta vs tors. theta energy: -77.550
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: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -779.631370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.631370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.631370 (E_RNA)
where:
Base-Base interactions energy: -539.276
where: short stacking energy: -216.220
Base-Backbone interact. energy: -2.557
local terms energy: -237.798438
where:
bonds (distance) C4'-P energy: -44.235
bonds (distance) P-C4' energy: -43.251
flat angles C4'-P-C4' energy: -51.592
flat angles P-C4'-P energy: -36.051
tors. eta vs tors. theta energy: -62.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -750.088947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.088947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.088947 (E_RNA)
where:
Base-Base interactions energy: -501.431
where: short stacking energy: -225.492
Base-Backbone interact. energy: -2.899
local terms energy: -245.759554
where:
bonds (distance) C4'-P energy: -42.997
bonds (distance) P-C4' energy: -49.889
flat angles C4'-P-C4' energy: -51.743
flat angles P-C4'-P energy: -39.347
tors. eta vs tors. theta energy: -61.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -735.679602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.679602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.679602 (E_RNA)
where:
Base-Base interactions energy: -501.833
where: short stacking energy: -205.385
Base-Backbone interact. energy: -1.301
local terms energy: -232.545880
where:
bonds (distance) C4'-P energy: -40.761
bonds (distance) P-C4' energy: -44.716
flat angles C4'-P-C4' energy: -47.565
flat angles P-C4'-P energy: -40.090
tors. eta vs tors. theta energy: -59.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -682.638168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.638168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.638168 (E_RNA)
where:
Base-Base interactions energy: -460.578
where: short stacking energy: -188.546
Base-Backbone interact. energy: -1.066
local terms energy: -220.994550
where:
bonds (distance) C4'-P energy: -44.195
bonds (distance) P-C4' energy: -51.798
flat angles C4'-P-C4' energy: -46.211
flat angles P-C4'-P energy: -27.027
tors. eta vs tors. theta energy: -51.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -629.709616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.709616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.709616 (E_RNA)
where:
Base-Base interactions energy: -419.640
where: short stacking energy: -201.960
Base-Backbone interact. energy: -0.474
local terms energy: -209.595381
where:
bonds (distance) C4'-P energy: -35.581
bonds (distance) P-C4' energy: -46.497
flat angles C4'-P-C4' energy: -44.314
flat angles P-C4'-P energy: -35.964
tors. eta vs tors. theta energy: -47.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -559.923474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.923474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.923474 (E_RNA)
where:
Base-Base interactions energy: -371.110
where: short stacking energy: -161.294
Base-Backbone interact. energy: -1.100
local terms energy: -187.713270
where:
bonds (distance) C4'-P energy: -39.112
bonds (distance) P-C4' energy: -43.332
flat angles C4'-P-C4' energy: -33.911
flat angles P-C4'-P energy: -28.553
tors. eta vs tors. theta energy: -42.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -506.699174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.699174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.699174 (E_RNA)
where:
Base-Base interactions energy: -320.635
where: short stacking energy: -137.225
Base-Backbone interact. energy: -0.741
local terms energy: -185.322634
where:
bonds (distance) C4'-P energy: -40.979
bonds (distance) P-C4' energy: -44.635
flat angles C4'-P-C4' energy: -29.002
flat angles P-C4'-P energy: -30.942
tors. eta vs tors. theta energy: -39.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -217.284471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.284471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.284471 (E_RNA)
where:
Base-Base interactions energy: -80.150
where: short stacking energy: -66.124
Base-Backbone interact. energy: 0.659
local terms energy: -137.793737
where:
bonds (distance) C4'-P energy: -31.942
bonds (distance) P-C4' energy: -47.746
flat angles C4'-P-C4' energy: -31.685
flat angles P-C4'-P energy: -35.896
tors. eta vs tors. theta energy: 9.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -834.830786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.830786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.830786 (E_RNA)
where:
Base-Base interactions energy: -594.338
where: short stacking energy: -248.577
Base-Backbone interact. energy: 0.001
local terms energy: -240.493925
where:
bonds (distance) C4'-P energy: -42.654
bonds (distance) P-C4' energy: -44.018
flat angles C4'-P-C4' energy: -56.036
flat angles P-C4'-P energy: -28.916
tors. eta vs tors. theta energy: -68.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -850.630456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.630456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.630456 (E_RNA)
where:
Base-Base interactions energy: -588.399
where: short stacking energy: -263.382
Base-Backbone interact. energy: -0.050
local terms energy: -262.180465
where:
bonds (distance) C4'-P energy: -45.730
bonds (distance) P-C4' energy: -47.929
flat angles C4'-P-C4' energy: -52.393
flat angles P-C4'-P energy: -35.787
tors. eta vs tors. theta energy: -80.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -779.338292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.338292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.338292 (E_RNA)
where:
Base-Base interactions energy: -538.542
where: short stacking energy: -222.506
Base-Backbone interact. energy: -1.072
local terms energy: -239.724030
where:
bonds (distance) C4'-P energy: -45.604
bonds (distance) P-C4' energy: -48.021
flat angles C4'-P-C4' energy: -51.039
flat angles P-C4'-P energy: -35.484
tors. eta vs tors. theta energy: -59.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -745.150026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.150026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.150026 (E_RNA)
where:
Base-Base interactions energy: -516.957
where: short stacking energy: -212.812
Base-Backbone interact. energy: -2.006
local terms energy: -226.187063
where:
bonds (distance) C4'-P energy: -39.300
bonds (distance) P-C4' energy: -47.317
flat angles C4'-P-C4' energy: -41.485
flat angles P-C4'-P energy: -37.331
tors. eta vs tors. theta energy: -60.753
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: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -735.832797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.832797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.832797 (E_RNA)
where:
Base-Base interactions energy: -508.006
where: short stacking energy: -215.537
Base-Backbone interact. energy: -1.221
local terms energy: -226.606195
where:
bonds (distance) C4'-P energy: -40.532
bonds (distance) P-C4' energy: -41.664
flat angles C4'-P-C4' energy: -52.549
flat angles P-C4'-P energy: -35.876
tors. eta vs tors. theta energy: -55.986
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: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -608.676012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.676012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.676012 (E_RNA)
where:
Base-Base interactions energy: -411.442
where: short stacking energy: -194.622
Base-Backbone interact. energy: -1.434
local terms energy: -195.800168
where:
bonds (distance) C4'-P energy: -46.079
bonds (distance) P-C4' energy: -39.785
flat angles C4'-P-C4' energy: -40.142
flat angles P-C4'-P energy: -24.306
tors. eta vs tors. theta energy: -45.488
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: 255
Temperature: 1.200000
Total energy: -659.619597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.619597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.619597 (E_RNA)
where:
Base-Base interactions energy: -447.469
where: short stacking energy: -184.904
Base-Backbone interact. energy: -1.832
local terms energy: -210.318478
where:
bonds (distance) C4'-P energy: -35.158
bonds (distance) P-C4' energy: -47.527
flat angles C4'-P-C4' energy: -43.662
flat angles P-C4'-P energy: -33.304
tors. eta vs tors. theta energy: -50.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -546.021138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.021138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.021138 (E_RNA)
where:
Base-Base interactions energy: -365.455
where: short stacking energy: -173.980
Base-Backbone interact. energy: 1.391
local terms energy: -181.956744
where:
bonds (distance) C4'-P energy: -40.436
bonds (distance) P-C4' energy: -42.387
flat angles C4'-P-C4' energy: -38.229
flat angles P-C4'-P energy: -29.415
tors. eta vs tors. theta energy: -31.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -543.322486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.322486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.322486 (E_RNA)
where:
Base-Base interactions energy: -362.604
where: short stacking energy: -151.385
Base-Backbone interact. energy: -1.654
local terms energy: -179.065332
where:
bonds (distance) C4'-P energy: -41.849
bonds (distance) P-C4' energy: -33.167
flat angles C4'-P-C4' energy: -45.825
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -40.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -224.674417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.674417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.674417 (E_RNA)
where:
Base-Base interactions energy: -78.993
where: short stacking energy: -64.535
Base-Backbone interact. energy: 3.243
local terms energy: -148.924016
where:
bonds (distance) C4'-P energy: -37.499
bonds (distance) P-C4' energy: -49.352
flat angles C4'-P-C4' energy: -33.881
flat angles P-C4'-P energy: -23.292
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -863.338652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.338652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.338652 (E_RNA)
where:
Base-Base interactions energy: -599.456
where: short stacking energy: -248.648
Base-Backbone interact. energy: -1.523
local terms energy: -262.359287
where:
bonds (distance) C4'-P energy: -48.187
bonds (distance) P-C4' energy: -49.076
flat angles C4'-P-C4' energy: -54.868
flat angles P-C4'-P energy: -36.672
tors. eta vs tors. theta energy: -73.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -796.641264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.641264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.641264 (E_RNA)
where:
Base-Base interactions energy: -558.889
where: short stacking energy: -221.092
Base-Backbone interact. energy: 1.188
local terms energy: -238.940544
where:
bonds (distance) C4'-P energy: -41.009
bonds (distance) P-C4' energy: -39.758
flat angles C4'-P-C4' energy: -55.821
flat angles P-C4'-P energy: -41.674
tors. eta vs tors. theta energy: -60.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -761.696875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.696875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.696875 (E_RNA)
where:
Base-Base interactions energy: -535.682
where: short stacking energy: -210.276
Base-Backbone interact. energy: -0.372
local terms energy: -225.642583
where:
bonds (distance) C4'-P energy: -42.292
bonds (distance) P-C4' energy: -39.419
flat angles C4'-P-C4' energy: -51.162
flat angles P-C4'-P energy: -34.738
tors. eta vs tors. theta energy: -58.031
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: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -742.933587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.933587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.933587 (E_RNA)
where:
Base-Base interactions energy: -513.930
where: short stacking energy: -220.510
Base-Backbone interact. energy: -0.045
local terms energy: -228.958395
where:
bonds (distance) C4'-P energy: -39.588
bonds (distance) P-C4' energy: -48.685
flat angles C4'-P-C4' energy: -49.286
flat angles P-C4'-P energy: -28.192
tors. eta vs tors. theta energy: -63.207
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: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -728.689061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.689061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.689061 (E_RNA)
where:
Base-Base interactions energy: -486.616
where: short stacking energy: -207.333
Base-Backbone interact. energy: -3.147
local terms energy: -238.926255
where:
bonds (distance) C4'-P energy: -45.985
bonds (distance) P-C4' energy: -50.199
flat angles C4'-P-C4' energy: -50.973
flat angles P-C4'-P energy: -29.188
tors. eta vs tors. theta energy: -62.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -639.150678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.150678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.150678 (E_RNA)
where:
Base-Base interactions energy: -444.635
where: short stacking energy: -206.284
Base-Backbone interact. energy: 1.112
local terms energy: -195.627195
where:
bonds (distance) C4'-P energy: -33.821
bonds (distance) P-C4' energy: -43.040
flat angles C4'-P-C4' energy: -44.402
flat angles P-C4'-P energy: -24.729
tors. eta vs tors. theta energy: -49.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -679.700766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.700766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.700766 (E_RNA)
where:
Base-Base interactions energy: -465.865
where: short stacking energy: -203.126
Base-Backbone interact. energy: 5.634
local terms energy: -219.469011
where:
bonds (distance) C4'-P energy: -43.283
bonds (distance) P-C4' energy: -50.215
flat angles C4'-P-C4' energy: -44.237
flat angles P-C4'-P energy: -24.102
tors. eta vs tors. theta energy: -57.631
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: 2
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -516.052870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.052870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.052870 (E_RNA)
where:
Base-Base interactions energy: -341.819
where: short stacking energy: -172.216
Base-Backbone interact. energy: -1.662
local terms energy: -172.572094
where:
bonds (distance) C4'-P energy: -36.575
bonds (distance) P-C4' energy: -36.751
flat angles C4'-P-C4' energy: -42.664
flat angles P-C4'-P energy: -23.680
tors. eta vs tors. theta energy: -32.902
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: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -562.391143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.391143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.391143 (E_RNA)
where:
Base-Base interactions energy: -398.641
where: short stacking energy: -171.373
Base-Backbone interact. energy: -1.235
local terms energy: -162.515220
where:
bonds (distance) C4'-P energy: -26.788
bonds (distance) P-C4' energy: -35.383
flat angles C4'-P-C4' energy: -39.722
flat angles P-C4'-P energy: -23.784
tors. eta vs tors. theta energy: -36.838
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: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -243.922854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.922854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.922854 (E_RNA)
where:
Base-Base interactions energy: -101.553
where: short stacking energy: -82.405
Base-Backbone interact. energy: 2.937
local terms energy: -145.306982
where:
bonds (distance) C4'-P energy: -41.932
bonds (distance) P-C4' energy: -40.852
flat angles C4'-P-C4' energy: -26.583
flat angles P-C4'-P energy: -23.608
tors. eta vs tors. theta energy: -12.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -861.673533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.673533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.673533 (E_RNA)
where:
Base-Base interactions energy: -604.542
where: short stacking energy: -253.249
Base-Backbone interact. energy: -1.504
local terms energy: -255.627573
where:
bonds (distance) C4'-P energy: -48.543
bonds (distance) P-C4' energy: -42.301
flat angles C4'-P-C4' energy: -55.174
flat angles P-C4'-P energy: -34.122
tors. eta vs tors. theta energy: -75.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -825.651605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.651605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.651605 (E_RNA)
where:
Base-Base interactions energy: -586.266
where: short stacking energy: -238.123
Base-Backbone interact. energy: -0.910
local terms energy: -238.475783
where:
bonds (distance) C4'-P energy: -52.328
bonds (distance) P-C4' energy: -42.858
flat angles C4'-P-C4' energy: -46.246
flat angles P-C4'-P energy: -26.511
tors. eta vs tors. theta energy: -70.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -758.448857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.448857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.448857 (E_RNA)
where:
Base-Base interactions energy: -532.479
where: short stacking energy: -234.604
Base-Backbone interact. energy: -0.784
local terms energy: -225.185800
where:
bonds (distance) C4'-P energy: -38.930
bonds (distance) P-C4' energy: -41.712
flat angles C4'-P-C4' energy: -47.623
flat angles P-C4'-P energy: -36.840
tors. eta vs tors. theta energy: -60.080
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: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -738.502901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.502901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.502901 (E_RNA)
where:
Base-Base interactions energy: -504.018
where: short stacking energy: -199.425
Base-Backbone interact. energy: -1.710
local terms energy: -232.775137
where:
bonds (distance) C4'-P energy: -47.223
bonds (distance) P-C4' energy: -48.836
flat angles C4'-P-C4' energy: -51.596
flat angles P-C4'-P energy: -30.938
tors. eta vs tors. theta energy: -54.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -729.141524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.141524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.141524 (E_RNA)
where:
Base-Base interactions energy: -518.852
where: short stacking energy: -218.596
Base-Backbone interact. energy: 4.494
local terms energy: -214.783036
where:
bonds (distance) C4'-P energy: -37.796
bonds (distance) P-C4' energy: -45.904
flat angles C4'-P-C4' energy: -43.852
flat angles P-C4'-P energy: -24.735
tors. eta vs tors. theta energy: -62.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -641.936449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.936449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.936449 (E_RNA)
where:
Base-Base interactions energy: -430.645
where: short stacking energy: -184.947
Base-Backbone interact. energy: -0.196
local terms energy: -211.095279
where:
bonds (distance) C4'-P energy: -47.625
bonds (distance) P-C4' energy: -45.654
flat angles C4'-P-C4' energy: -41.240
flat angles P-C4'-P energy: -29.963
tors. eta vs tors. theta energy: -46.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -631.993929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.993929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.993929 (E_RNA)
where:
Base-Base interactions energy: -427.597
where: short stacking energy: -196.219
Base-Backbone interact. energy: -0.379
local terms energy: -204.018020
where:
bonds (distance) C4'-P energy: -50.660
bonds (distance) P-C4' energy: -38.564
flat angles C4'-P-C4' energy: -38.819
flat angles P-C4'-P energy: -21.263
tors. eta vs tors. theta energy: -54.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -556.798453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.798453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.798453 (E_RNA)
where:
Base-Base interactions energy: -369.019
where: short stacking energy: -153.184
Base-Backbone interact. energy: -1.535
local terms energy: -186.244379
where:
bonds (distance) C4'-P energy: -33.649
bonds (distance) P-C4' energy: -46.735
flat angles C4'-P-C4' energy: -38.508
flat angles P-C4'-P energy: -34.129
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: 9, replica: 2
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -482.370934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.370934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.370934 (E_RNA)
where:
Base-Base interactions energy: -320.643
where: short stacking energy: -146.868
Base-Backbone interact. energy: 1.924
local terms energy: -163.651974
where:
bonds (distance) C4'-P energy: -36.162
bonds (distance) P-C4' energy: -43.460
flat angles C4'-P-C4' energy: -39.282
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -24.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -209.905877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.905877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.905877 (E_RNA)
where:
Base-Base interactions energy: -74.324
where: short stacking energy: -72.608
Base-Backbone interact. energy: 1.409
local terms energy: -136.990035
where:
bonds (distance) C4'-P energy: -43.302
bonds (distance) P-C4' energy: -44.322
flat angles C4'-P-C4' energy: -30.864
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: 0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -864.457853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.457853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.457853 (E_RNA)
where:
Base-Base interactions energy: -598.219
where: short stacking energy: -257.158
Base-Backbone interact. energy: -1.548
local terms energy: -264.690778
where:
bonds (distance) C4'-P energy: -50.648
bonds (distance) P-C4' energy: -47.742
flat angles C4'-P-C4' energy: -54.403
flat angles P-C4'-P energy: -33.093
tors. eta vs tors. theta energy: -78.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -815.238020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.238020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.238020 (E_RNA)
where:
Base-Base interactions energy: -570.338
where: short stacking energy: -227.132
Base-Backbone interact. energy: -1.681
local terms energy: -243.219335
where:
bonds (distance) C4'-P energy: -53.873
bonds (distance) P-C4' energy: -41.597
flat angles C4'-P-C4' energy: -48.396
flat angles P-C4'-P energy: -30.142
tors. eta vs tors. theta energy: -69.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -783.829487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.829487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.829487 (E_RNA)
where:
Base-Base interactions energy: -548.832
where: short stacking energy: -225.640
Base-Backbone interact. energy: -2.409
local terms energy: -232.587777
where:
bonds (distance) C4'-P energy: -43.140
bonds (distance) P-C4' energy: -43.531
flat angles C4'-P-C4' energy: -53.565
flat angles P-C4'-P energy: -34.083
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: 258
Temperature: 1.050000
Total energy: -758.806291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.806291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.806291 (E_RNA)
where:
Base-Base interactions energy: -523.890
where: short stacking energy: -217.341
Base-Backbone interact. energy: -0.730
local terms energy: -234.186838
where:
bonds (distance) C4'-P energy: -37.349
bonds (distance) P-C4' energy: -52.759
flat angles C4'-P-C4' energy: -46.168
flat angles P-C4'-P energy: -30.852
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: 5, replica: 1
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -728.740229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.740229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.740229 (E_RNA)
where:
Base-Base interactions energy: -506.322
where: short stacking energy: -217.284
Base-Backbone interact. energy: -0.561
local terms energy: -221.856919
where:
bonds (distance) C4'-P energy: -37.540
bonds (distance) P-C4' energy: -43.686
flat angles C4'-P-C4' energy: -47.610
flat angles P-C4'-P energy: -31.518
tors. eta vs tors. theta energy: -61.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -661.008205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.008205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.008205 (E_RNA)
where:
Base-Base interactions energy: -452.536
where: short stacking energy: -193.580
Base-Backbone interact. energy: 1.216
local terms energy: -209.687890
where:
bonds (distance) C4'-P energy: -38.202
bonds (distance) P-C4' energy: -41.374
flat angles C4'-P-C4' energy: -45.090
flat angles P-C4'-P energy: -35.076
tors. eta vs tors. theta energy: -49.946
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: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -654.543505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.543505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.543505 (E_RNA)
where:
Base-Base interactions energy: -442.613
where: short stacking energy: -174.209
Base-Backbone interact. energy: -0.566
local terms energy: -211.364735
where:
bonds (distance) C4'-P energy: -34.142
bonds (distance) P-C4' energy: -48.599
flat angles C4'-P-C4' energy: -45.458
flat angles P-C4'-P energy: -35.153
tors. eta vs tors. theta energy: -48.013
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: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -570.520788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.520788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.520788 (E_RNA)
where:
Base-Base interactions energy: -381.912
where: short stacking energy: -162.126
Base-Backbone interact. energy: -1.485
local terms energy: -187.124169
where:
bonds (distance) C4'-P energy: -37.026
bonds (distance) P-C4' energy: -43.566
flat angles C4'-P-C4' energy: -37.311
flat angles P-C4'-P energy: -31.742
tors. eta vs tors. theta energy: -37.480
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: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -493.020429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.020429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.020429 (E_RNA)
where:
Base-Base interactions energy: -324.513
where: short stacking energy: -132.395
Base-Backbone interact. energy: -0.931
local terms energy: -167.576619
where:
bonds (distance) C4'-P energy: -39.668
bonds (distance) P-C4' energy: -37.653
flat angles C4'-P-C4' energy: -41.777
flat angles P-C4'-P energy: -22.236
tors. eta vs tors. theta energy: -26.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -220.099620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.099620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.099620 (E_RNA)
where:
Base-Base interactions energy: -90.698
where: short stacking energy: -76.380
Base-Backbone interact. energy: 0.205
local terms energy: -129.607227
where:
bonds (distance) C4'-P energy: -29.703
bonds (distance) P-C4' energy: -41.765
flat angles C4'-P-C4' energy: -34.051
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -869.617379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.617379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.617379 (E_RNA)
where:
Base-Base interactions energy: -602.856
where: short stacking energy: -264.788
Base-Backbone interact. energy: 0.189
local terms energy: -266.950753
where:
bonds (distance) C4'-P energy: -47.244
bonds (distance) P-C4' energy: -49.422
flat angles C4'-P-C4' energy: -52.655
flat angles P-C4'-P energy: -40.045
tors. eta vs tors. theta energy: -77.585
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: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -829.262478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.262478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.262478 (E_RNA)
where:
Base-Base interactions energy: -572.872
where: short stacking energy: -234.909
Base-Backbone interact. energy: 0.116
local terms energy: -256.506242
where:
bonds (distance) C4'-P energy: -45.716
bonds (distance) P-C4' energy: -52.179
flat angles C4'-P-C4' energy: -53.830
flat angles P-C4'-P energy: -34.324
tors. eta vs tors. theta energy: -70.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -788.246944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.246944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.246944 (E_RNA)
where:
Base-Base interactions energy: -553.047
where: short stacking energy: -234.417
Base-Backbone interact. energy: 0.852
local terms energy: -236.052202
where:
bonds (distance) C4'-P energy: -40.262
bonds (distance) P-C4' energy: -43.822
flat angles C4'-P-C4' energy: -47.381
flat angles P-C4'-P energy: -37.218
tors. eta vs tors. theta energy: -67.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -776.277066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.277066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.277066 (E_RNA)
where:
Base-Base interactions energy: -534.709
where: short stacking energy: -220.636
Base-Backbone interact. energy: -0.421
local terms energy: -241.147545
where:
bonds (distance) C4'-P energy: -45.014
bonds (distance) P-C4' energy: -48.059
flat angles C4'-P-C4' energy: -55.777
flat angles P-C4'-P energy: -33.039
tors. eta vs tors. theta energy: -59.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -758.271275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.271275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.271275 (E_RNA)
where:
Base-Base interactions energy: -542.981
where: short stacking energy: -233.286
Base-Backbone interact. energy: -2.400
local terms energy: -212.890944
where:
bonds (distance) C4'-P energy: -32.903
bonds (distance) P-C4' energy: -42.060
flat angles C4'-P-C4' energy: -48.450
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -66.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -688.899266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.899266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.899266 (E_RNA)
where:
Base-Base interactions energy: -479.408
where: short stacking energy: -192.998
Base-Backbone interact. energy: 0.156
local terms energy: -209.647508
where:
bonds (distance) C4'-P energy: -44.692
bonds (distance) P-C4' energy: -40.901
flat angles C4'-P-C4' energy: -38.651
flat angles P-C4'-P energy: -31.227
tors. eta vs tors. theta energy: -54.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -616.550676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.550676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.550676 (E_RNA)
where:
Base-Base interactions energy: -430.842
where: short stacking energy: -179.090
Base-Backbone interact. energy: -0.521
local terms energy: -185.187753
where:
bonds (distance) C4'-P energy: -32.348
bonds (distance) P-C4' energy: -43.264
flat angles C4'-P-C4' energy: -34.772
flat angles P-C4'-P energy: -28.001
tors. eta vs tors. theta energy: -46.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -552.809602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.809602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.809602 (E_RNA)
where:
Base-Base interactions energy: -373.798
where: short stacking energy: -153.480
Base-Backbone interact. energy: 2.443
local terms energy: -181.454330
where:
bonds (distance) C4'-P energy: -43.664
bonds (distance) P-C4' energy: -39.121
flat angles C4'-P-C4' energy: -38.840
flat angles P-C4'-P energy: -27.062
tors. eta vs tors. theta energy: -32.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -570.991673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.991673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.991673 (E_RNA)
where:
Base-Base interactions energy: -379.209
where: short stacking energy: -161.110
Base-Backbone interact. energy: 0.782
local terms energy: -192.564932
where:
bonds (distance) C4'-P energy: -47.009
bonds (distance) P-C4' energy: -42.145
flat angles C4'-P-C4' energy: -40.296
flat angles P-C4'-P energy: -29.397
tors. eta vs tors. theta energy: -33.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -198.595352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.595352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.595352 (E_RNA)
where:
Base-Base interactions energy: -88.062
where: short stacking energy: -55.348
Base-Backbone interact. energy: -0.854
local terms energy: -109.679198
where:
bonds (distance) C4'-P energy: -36.158
bonds (distance) P-C4' energy: -32.948
flat angles C4'-P-C4' energy: -32.894
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: 4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -860.569521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.569521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.569521 (E_RNA)
where:
Base-Base interactions energy: -601.016
where: short stacking energy: -260.456
Base-Backbone interact. energy: 0.158
local terms energy: -259.712346
where:
bonds (distance) C4'-P energy: -52.052
bonds (distance) P-C4' energy: -47.333
flat angles C4'-P-C4' energy: -52.217
flat angles P-C4'-P energy: -32.244
tors. eta vs tors. theta energy: -75.866
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: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -828.668191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.668191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.668191 (E_RNA)
where:
Base-Base interactions energy: -584.354
where: short stacking energy: -235.805
Base-Backbone interact. energy: 0.669
local terms energy: -244.982863
where:
bonds (distance) C4'-P energy: -47.989
bonds (distance) P-C4' energy: -46.601
flat angles C4'-P-C4' energy: -53.649
flat angles P-C4'-P energy: -32.351
tors. eta vs tors. theta energy: -64.392
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: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -776.361685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.361685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.361685 (E_RNA)
where:
Base-Base interactions energy: -544.573
where: short stacking energy: -229.656
Base-Backbone interact. energy: 0.087
local terms energy: -231.875844
where:
bonds (distance) C4'-P energy: -41.767
bonds (distance) P-C4' energy: -38.454
flat angles C4'-P-C4' energy: -51.222
flat angles P-C4'-P energy: -36.149
tors. eta vs tors. theta energy: -64.283
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: 260
Temperature: 1.050000
Total energy: -727.693532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.693532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.693532 (E_RNA)
where:
Base-Base interactions energy: -510.553
where: short stacking energy: -216.000
Base-Backbone interact. energy: -0.392
local terms energy: -216.748776
where:
bonds (distance) C4'-P energy: -40.375
bonds (distance) P-C4' energy: -43.567
flat angles C4'-P-C4' energy: -45.070
flat angles P-C4'-P energy: -27.792
tors. eta vs tors. theta energy: -59.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -732.793100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.793100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.793100 (E_RNA)
where:
Base-Base interactions energy: -510.986
where: short stacking energy: -211.541
Base-Backbone interact. energy: 0.204
local terms energy: -222.010890
where:
bonds (distance) C4'-P energy: -41.502
bonds (distance) P-C4' energy: -42.342
flat angles C4'-P-C4' energy: -50.276
flat angles P-C4'-P energy: -26.638
tors. eta vs tors. theta energy: -61.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -701.905435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.905435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.905435 (E_RNA)
where:
Base-Base interactions energy: -480.793
where: short stacking energy: -208.150
Base-Backbone interact. energy: -0.051
local terms energy: -221.061198
where:
bonds (distance) C4'-P energy: -32.648
bonds (distance) P-C4' energy: -44.711
flat angles C4'-P-C4' energy: -45.766
flat angles P-C4'-P energy: -32.187
tors. eta vs tors. theta energy: -65.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -625.343790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.343790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.343790 (E_RNA)
where:
Base-Base interactions energy: -414.636
where: short stacking energy: -189.763
Base-Backbone interact. energy: -1.237
local terms energy: -209.470981
where:
bonds (distance) C4'-P energy: -41.912
bonds (distance) P-C4' energy: -38.062
flat angles C4'-P-C4' energy: -42.946
flat angles P-C4'-P energy: -31.886
tors. eta vs tors. theta energy: -54.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -541.657381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.657381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.657381 (E_RNA)
where:
Base-Base interactions energy: -347.119
where: short stacking energy: -163.288
Base-Backbone interact. energy: -0.942
local terms energy: -193.596539
where:
bonds (distance) C4'-P energy: -43.842
bonds (distance) P-C4' energy: -47.017
flat angles C4'-P-C4' energy: -43.537
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: -35.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -521.022381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.022381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.022381 (E_RNA)
where:
Base-Base interactions energy: -355.577
where: short stacking energy: -158.637
Base-Backbone interact. energy: -2.453
local terms energy: -162.993159
where:
bonds (distance) C4'-P energy: -37.197
bonds (distance) P-C4' energy: -42.276
flat angles C4'-P-C4' energy: -33.734
flat angles P-C4'-P energy: -19.083
tors. eta vs tors. theta energy: -30.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -206.248193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.248193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.248193 (E_RNA)
where:
Base-Base interactions energy: -75.601
where: short stacking energy: -69.607
Base-Backbone interact. energy: -0.060
local terms energy: -130.587779
where:
bonds (distance) C4'-P energy: -41.462
bonds (distance) P-C4' energy: -38.241
flat angles C4'-P-C4' energy: -37.434
flat angles P-C4'-P energy: -16.385
tors. eta vs tors. theta energy: 2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -859.447060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.447060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.447060 (E_RNA)
where:
Base-Base interactions energy: -600.681
where: short stacking energy: -259.805
Base-Backbone interact. energy: -1.993
local terms energy: -256.773274
where:
bonds (distance) C4'-P energy: -49.122
bonds (distance) P-C4' energy: -45.211
flat angles C4'-P-C4' energy: -49.235
flat angles P-C4'-P energy: -31.747
tors. eta vs tors. theta energy: -81.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -827.599101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.599101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.599101 (E_RNA)
where:
Base-Base interactions energy: -576.774
where: short stacking energy: -242.697
Base-Backbone interact. energy: -1.525
local terms energy: -249.300085
where:
bonds (distance) C4'-P energy: -47.543
bonds (distance) P-C4' energy: -47.407
flat angles C4'-P-C4' energy: -56.684
flat angles P-C4'-P energy: -32.870
tors. eta vs tors. theta energy: -64.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -787.493737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.493737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.493737 (E_RNA)
where:
Base-Base interactions energy: -543.082
where: short stacking energy: -225.884
Base-Backbone interact. energy: -1.224
local terms energy: -243.188545
where:
bonds (distance) C4'-P energy: -48.157
bonds (distance) P-C4' energy: -48.788
flat angles C4'-P-C4' energy: -50.777
flat angles P-C4'-P energy: -32.910
tors. eta vs tors. theta energy: -62.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -739.090932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.090932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.090932 (E_RNA)
where:
Base-Base interactions energy: -519.408
where: short stacking energy: -221.167
Base-Backbone interact. energy: -0.505
local terms energy: -219.178108
where:
bonds (distance) C4'-P energy: -34.627
bonds (distance) P-C4' energy: -42.426
flat angles C4'-P-C4' energy: -49.833
flat angles P-C4'-P energy: -27.945
tors. eta vs tors. theta energy: -64.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -689.301222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.301222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.301222 (E_RNA)
where:
Base-Base interactions energy: -475.458
where: short stacking energy: -196.507
Base-Backbone interact. energy: 1.542
local terms energy: -215.385385
where:
bonds (distance) C4'-P energy: -38.479
bonds (distance) P-C4' energy: -41.623
flat angles C4'-P-C4' energy: -47.564
flat angles P-C4'-P energy: -30.260
tors. eta vs tors. theta energy: -57.459
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: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -701.835471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.835471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.835471 (E_RNA)
where:
Base-Base interactions energy: -473.950
where: short stacking energy: -201.673
Base-Backbone interact. energy: 0.242
local terms energy: -228.126995
where:
bonds (distance) C4'-P energy: -38.430
bonds (distance) P-C4' energy: -47.552
flat angles C4'-P-C4' energy: -51.523
flat angles P-C4'-P energy: -30.253
tors. eta vs tors. theta energy: -60.370
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: 261
Temperature: 1.200000
Total energy: -627.598670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.598670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.598670 (E_RNA)
where:
Base-Base interactions energy: -419.109
where: short stacking energy: -175.914
Base-Backbone interact. energy: -1.716
local terms energy: -206.774232
where:
bonds (distance) C4'-P energy: -38.347
bonds (distance) P-C4' energy: -44.142
flat angles C4'-P-C4' energy: -45.383
flat angles P-C4'-P energy: -32.461
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: 8, replica: 2
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -549.424852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.424852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.424852 (E_RNA)
where:
Base-Base interactions energy: -348.542
where: short stacking energy: -149.898
Base-Backbone interact. energy: -0.698
local terms energy: -200.184632
where:
bonds (distance) C4'-P energy: -45.104
bonds (distance) P-C4' energy: -53.089
flat angles C4'-P-C4' energy: -48.954
flat angles P-C4'-P energy: -27.121
tors. eta vs tors. theta energy: -25.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -542.873454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.873454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.873454 (E_RNA)
where:
Base-Base interactions energy: -355.470
where: short stacking energy: -148.223
Base-Backbone interact. energy: 0.127
local terms energy: -187.529962
where:
bonds (distance) C4'-P energy: -34.021
bonds (distance) P-C4' energy: -47.252
flat angles C4'-P-C4' energy: -41.565
flat angles P-C4'-P energy: -27.590
tors. eta vs tors. theta energy: -37.102
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: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -204.310296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.310296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.310296 (E_RNA)
where:
Base-Base interactions energy: -68.138
where: short stacking energy: -61.096
Base-Backbone interact. energy: -1.641
local terms energy: -134.531072
where:
bonds (distance) C4'-P energy: -43.587
bonds (distance) P-C4' energy: -51.163
flat angles C4'-P-C4' energy: -30.062
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: 4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -850.692643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.692643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.692643 (E_RNA)
where:
Base-Base interactions energy: -587.317
where: short stacking energy: -261.132
Base-Backbone interact. energy: -1.418
local terms energy: -261.957351
where:
bonds (distance) C4'-P energy: -46.268
bonds (distance) P-C4' energy: -51.240
flat angles C4'-P-C4' energy: -50.069
flat angles P-C4'-P energy: -36.776
tors. eta vs tors. theta energy: -77.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -807.393201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.393201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.393201 (E_RNA)
where:
Base-Base interactions energy: -560.770
where: short stacking energy: -242.873
Base-Backbone interact. energy: -0.169
local terms energy: -246.454198
where:
bonds (distance) C4'-P energy: -46.029
bonds (distance) P-C4' energy: -43.225
flat angles C4'-P-C4' energy: -54.777
flat angles P-C4'-P energy: -36.009
tors. eta vs tors. theta energy: -66.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -782.115129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.115129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.115129 (E_RNA)
where:
Base-Base interactions energy: -553.140
where: short stacking energy: -233.466
Base-Backbone interact. energy: -2.378
local terms energy: -226.596587
where:
bonds (distance) C4'-P energy: -45.225
bonds (distance) P-C4' energy: -39.858
flat angles C4'-P-C4' energy: -46.821
flat angles P-C4'-P energy: -36.199
tors. eta vs tors. theta energy: -58.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -744.969728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.969728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.969728 (E_RNA)
where:
Base-Base interactions energy: -505.529
where: short stacking energy: -218.720
Base-Backbone interact. energy: 1.221
local terms energy: -240.661163
where:
bonds (distance) C4'-P energy: -45.005
bonds (distance) P-C4' energy: -50.749
flat angles C4'-P-C4' energy: -48.108
flat angles P-C4'-P energy: -35.252
tors. eta vs tors. theta energy: -61.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -726.599663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.599663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.599663 (E_RNA)
where:
Base-Base interactions energy: -518.416
where: short stacking energy: -207.792
Base-Backbone interact. energy: -0.592
local terms energy: -207.591477
where:
bonds (distance) C4'-P energy: -32.215
bonds (distance) P-C4' energy: -37.596
flat angles C4'-P-C4' energy: -50.468
flat angles P-C4'-P energy: -31.069
tors. eta vs tors. theta energy: -56.244
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: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -701.294326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.294326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.294326 (E_RNA)
where:
Base-Base interactions energy: -488.075
where: short stacking energy: -204.837
Base-Backbone interact. energy: -1.270
local terms energy: -211.949992
where:
bonds (distance) C4'-P energy: -44.705
bonds (distance) P-C4' energy: -42.998
flat angles C4'-P-C4' energy: -50.070
flat angles P-C4'-P energy: -22.523
tors. eta vs tors. theta energy: -51.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -618.889394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.889394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.889394 (E_RNA)
where:
Base-Base interactions energy: -416.403
where: short stacking energy: -180.401
Base-Backbone interact. energy: -0.645
local terms energy: -201.841598
where:
bonds (distance) C4'-P energy: -33.603
bonds (distance) P-C4' energy: -41.004
flat angles C4'-P-C4' energy: -45.057
flat angles P-C4'-P energy: -31.017
tors. eta vs tors. theta energy: -51.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -487.465410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.465410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.465410 (E_RNA)
where:
Base-Base interactions energy: -307.011
where: short stacking energy: -133.638
Base-Backbone interact. energy: 0.672
local terms energy: -181.125784
where:
bonds (distance) C4'-P energy: -37.315
bonds (distance) P-C4' energy: -46.213
flat angles C4'-P-C4' energy: -38.050
flat angles P-C4'-P energy: -29.502
tors. eta vs tors. theta energy: -30.046
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: 262
Temperature: 1.300000
Total energy: -466.598825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.598825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.598825 (E_RNA)
where:
Base-Base interactions energy: -312.090
where: short stacking energy: -130.400
Base-Backbone interact. energy: 2.045
local terms energy: -156.554096
where:
bonds (distance) C4'-P energy: -33.519
bonds (distance) P-C4' energy: -42.655
flat angles C4'-P-C4' energy: -34.232
flat angles P-C4'-P energy: -21.382
tors. eta vs tors. theta energy: -24.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -226.663345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.663345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.663345 (E_RNA)
where:
Base-Base interactions energy: -100.649
where: short stacking energy: -72.149
Base-Backbone interact. energy: -0.995
local terms energy: -125.019646
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -37.419
flat angles C4'-P-C4' energy: -42.357
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: 5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -846.676364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.676364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.676364 (E_RNA)
where:
Base-Base interactions energy: -588.675
where: short stacking energy: -259.850
Base-Backbone interact. energy: 0.595
local terms energy: -258.595675
where:
bonds (distance) C4'-P energy: -45.736
bonds (distance) P-C4' energy: -46.575
flat angles C4'-P-C4' energy: -50.370
flat angles P-C4'-P energy: -37.504
tors. eta vs tors. theta energy: -78.411
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: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -825.716582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.716582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.716582 (E_RNA)
where:
Base-Base interactions energy: -579.093
where: short stacking energy: -246.095
Base-Backbone interact. energy: -0.340
local terms energy: -246.283424
where:
bonds (distance) C4'-P energy: -37.598
bonds (distance) P-C4' energy: -52.671
flat angles C4'-P-C4' energy: -56.061
flat angles P-C4'-P energy: -31.054
tors. eta vs tors. theta energy: -68.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -778.817560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.817560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.817560 (E_RNA)
where:
Base-Base interactions energy: -550.930
where: short stacking energy: -223.197
Base-Backbone interact. energy: -1.608
local terms energy: -226.279928
where:
bonds (distance) C4'-P energy: -29.476
bonds (distance) P-C4' energy: -51.247
flat angles C4'-P-C4' energy: -50.958
flat angles P-C4'-P energy: -34.362
tors. eta vs tors. theta energy: -60.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -720.923729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.923729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.923729 (E_RNA)
where:
Base-Base interactions energy: -511.943
where: short stacking energy: -217.217
Base-Backbone interact. energy: 3.840
local terms energy: -212.820097
where:
bonds (distance) C4'-P energy: -41.144
bonds (distance) P-C4' energy: -47.325
flat angles C4'-P-C4' energy: -42.216
flat angles P-C4'-P energy: -28.809
tors. eta vs tors. theta energy: -53.326
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: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -722.198942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.198942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.198942 (E_RNA)
where:
Base-Base interactions energy: -490.350
where: short stacking energy: -211.443
Base-Backbone interact. energy: -2.660
local terms energy: -229.188867
where:
bonds (distance) C4'-P energy: -47.330
bonds (distance) P-C4' energy: -38.225
flat angles C4'-P-C4' energy: -46.346
flat angles P-C4'-P energy: -32.325
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: 6, replica: 1
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -710.768242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.768242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.768242 (E_RNA)
where:
Base-Base interactions energy: -488.507
where: short stacking energy: -197.485
Base-Backbone interact. energy: -0.452
local terms energy: -221.808919
where:
bonds (distance) C4'-P energy: -42.136
bonds (distance) P-C4' energy: -39.303
flat angles C4'-P-C4' energy: -47.501
flat angles P-C4'-P energy: -27.722
tors. eta vs tors. theta energy: -65.147
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: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -601.369776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.369776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.369776 (E_RNA)
where:
Base-Base interactions energy: -397.943
where: short stacking energy: -178.526
Base-Backbone interact. energy: -1.041
local terms energy: -202.386050
where:
bonds (distance) C4'-P energy: -38.946
bonds (distance) P-C4' energy: -39.358
flat angles C4'-P-C4' energy: -43.161
flat angles P-C4'-P energy: -32.445
tors. eta vs tors. theta energy: -48.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -473.565820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.565820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.565820 (E_RNA)
where:
Base-Base interactions energy: -293.881
where: short stacking energy: -135.439
Base-Backbone interact. energy: -0.606
local terms energy: -179.079229
where:
bonds (distance) C4'-P energy: -44.213
bonds (distance) P-C4' energy: -46.717
flat angles C4'-P-C4' energy: -40.434
flat angles P-C4'-P energy: -23.215
tors. eta vs tors. theta energy: -24.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -458.459750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.459750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.459750 (E_RNA)
where:
Base-Base interactions energy: -284.051
where: short stacking energy: -128.428
Base-Backbone interact. energy: 1.709
local terms energy: -176.117230
where:
bonds (distance) C4'-P energy: -32.373
bonds (distance) P-C4' energy: -41.271
flat angles C4'-P-C4' energy: -48.218
flat angles P-C4'-P energy: -21.836
tors. eta vs tors. theta energy: -32.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -210.923686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.923686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.923686 (E_RNA)
where:
Base-Base interactions energy: -92.075
where: short stacking energy: -65.782
Base-Backbone interact. energy: -0.698
local terms energy: -118.151305
where:
bonds (distance) C4'-P energy: -33.742
bonds (distance) P-C4' energy: -39.780
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -24.034
tors. eta vs tors. theta energy: -0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -846.433710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.433710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.433710 (E_RNA)
where:
Base-Base interactions energy: -597.352
where: short stacking energy: -235.788
Base-Backbone interact. energy: -1.775
local terms energy: -247.306083
where:
bonds (distance) C4'-P energy: -39.522
bonds (distance) P-C4' energy: -49.893
flat angles C4'-P-C4' energy: -50.068
flat angles P-C4'-P energy: -40.658
tors. eta vs tors. theta energy: -67.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -843.361351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.361351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.361351 (E_RNA)
where:
Base-Base interactions energy: -577.584
where: short stacking energy: -248.523
Base-Backbone interact. energy: -0.292
local terms energy: -265.485789
where:
bonds (distance) C4'-P energy: -49.738
bonds (distance) P-C4' energy: -46.726
flat angles C4'-P-C4' energy: -50.699
flat angles P-C4'-P energy: -38.963
tors. eta vs tors. theta energy: -79.360
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: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -782.522678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.522678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.522678 (E_RNA)
where:
Base-Base interactions energy: -554.587
where: short stacking energy: -218.455
Base-Backbone interact. energy: 2.248
local terms energy: -230.183649
where:
bonds (distance) C4'-P energy: -45.673
bonds (distance) P-C4' energy: -46.063
flat angles C4'-P-C4' energy: -45.329
flat angles P-C4'-P energy: -34.090
tors. eta vs tors. theta energy: -59.029
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: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -736.326300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.326300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.326300 (E_RNA)
where:
Base-Base interactions energy: -493.626
where: short stacking energy: -210.535
Base-Backbone interact. energy: -0.323
local terms energy: -242.377043
where:
bonds (distance) C4'-P energy: -48.253
bonds (distance) P-C4' energy: -44.833
flat angles C4'-P-C4' energy: -49.987
flat angles P-C4'-P energy: -34.793
tors. eta vs tors. theta energy: -64.512
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: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -723.384733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.384733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.384733 (E_RNA)
where:
Base-Base interactions energy: -495.621
where: short stacking energy: -214.022
Base-Backbone interact. energy: -1.992
local terms energy: -225.771127
where:
bonds (distance) C4'-P energy: -42.248
bonds (distance) P-C4' energy: -47.048
flat angles C4'-P-C4' energy: -49.981
flat angles P-C4'-P energy: -28.486
tors. eta vs tors. theta energy: -58.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -711.504119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.504119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.504119 (E_RNA)
where:
Base-Base interactions energy: -492.434
where: short stacking energy: -191.286
Base-Backbone interact. energy: -1.856
local terms energy: -217.213840
where:
bonds (distance) C4'-P energy: -48.997
bonds (distance) P-C4' energy: -44.282
flat angles C4'-P-C4' energy: -44.490
flat angles P-C4'-P energy: -30.388
tors. eta vs tors. theta energy: -49.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -609.120570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.120570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.120570 (E_RNA)
where:
Base-Base interactions energy: -409.972
where: short stacking energy: -181.718
Base-Backbone interact. energy: -1.187
local terms energy: -197.961267
where:
bonds (distance) C4'-P energy: -33.537
bonds (distance) P-C4' energy: -38.074
flat angles C4'-P-C4' energy: -44.872
flat angles P-C4'-P energy: -31.414
tors. eta vs tors. theta energy: -50.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -509.181277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.181277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.181277 (E_RNA)
where:
Base-Base interactions energy: -323.356
where: short stacking energy: -148.918
Base-Backbone interact. energy: 1.436
local terms energy: -187.260598
where:
bonds (distance) C4'-P energy: -39.713
bonds (distance) P-C4' energy: -49.184
flat angles C4'-P-C4' energy: -41.312
flat angles P-C4'-P energy: -32.600
tors. eta vs tors. theta energy: -24.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -410.123721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.123721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.123721 (E_RNA)
where:
Base-Base interactions energy: -249.220
where: short stacking energy: -119.593
Base-Backbone interact. energy: -0.811
local terms energy: -160.093258
where:
bonds (distance) C4'-P energy: -43.349
bonds (distance) P-C4' energy: -40.696
flat angles C4'-P-C4' energy: -31.981
flat angles P-C4'-P energy: -23.586
tors. eta vs tors. theta energy: -20.480
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: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -213.843709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.843709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.843709 (E_RNA)
where:
Base-Base interactions energy: -68.044
where: short stacking energy: -67.285
Base-Backbone interact. energy: -0.060
local terms energy: -145.739005
where:
bonds (distance) C4'-P energy: -40.665
bonds (distance) P-C4' energy: -40.095
flat angles C4'-P-C4' energy: -39.256
flat angles P-C4'-P energy: -23.007
tors. eta vs tors. theta energy: -2.716
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: 1, replica: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -843.335928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.335928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.335928 (E_RNA)
where:
Base-Base interactions energy: -584.268
where: short stacking energy: -242.004
Base-Backbone interact. energy: -0.656
local terms energy: -258.412332
where:
bonds (distance) C4'-P energy: -51.690
bonds (distance) P-C4' energy: -46.816
flat angles C4'-P-C4' energy: -51.579
flat angles P-C4'-P energy: -39.863
tors. eta vs tors. theta energy: -68.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -837.985242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.985242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.985242 (E_RNA)
where:
Base-Base interactions energy: -576.160
where: short stacking energy: -257.196
Base-Backbone interact. energy: -0.096
local terms energy: -261.729261
where:
bonds (distance) C4'-P energy: -51.281
bonds (distance) P-C4' energy: -46.647
flat angles C4'-P-C4' energy: -48.016
flat angles P-C4'-P energy: -38.028
tors. eta vs tors. theta energy: -77.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -773.581614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.581614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.581614 (E_RNA)
where:
Base-Base interactions energy: -551.991
where: short stacking energy: -223.421
Base-Backbone interact. energy: -1.210
local terms energy: -220.380366
where:
bonds (distance) C4'-P energy: -42.163
bonds (distance) P-C4' energy: -52.193
flat angles C4'-P-C4' energy: -43.763
flat angles P-C4'-P energy: -27.032
tors. eta vs tors. theta energy: -55.230
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: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -713.282420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.282420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.282420 (E_RNA)
where:
Base-Base interactions energy: -494.394
where: short stacking energy: -210.111
Base-Backbone interact. energy: -0.782
local terms energy: -218.106084
where:
bonds (distance) C4'-P energy: -38.346
bonds (distance) P-C4' energy: -43.713
flat angles C4'-P-C4' energy: -47.959
flat angles P-C4'-P energy: -36.262
tors. eta vs tors. theta energy: -51.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -718.452302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.452302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.452302 (E_RNA)
where:
Base-Base interactions energy: -500.043
where: short stacking energy: -219.629
Base-Backbone interact. energy: -0.456
local terms energy: -217.953827
where:
bonds (distance) C4'-P energy: -36.485
bonds (distance) P-C4' energy: -38.508
flat angles C4'-P-C4' energy: -55.626
flat angles P-C4'-P energy: -28.532
tors. eta vs tors. theta energy: -58.802
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: 1
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -732.947791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.947791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.947791 (E_RNA)
where:
Base-Base interactions energy: -522.422
where: short stacking energy: -210.498
Base-Backbone interact. energy: -0.855
local terms energy: -209.671128
where:
bonds (distance) C4'-P energy: -36.495
bonds (distance) P-C4' energy: -36.240
flat angles C4'-P-C4' energy: -52.374
flat angles P-C4'-P energy: -23.214
tors. eta vs tors. theta energy: -61.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -589.704954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.704954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.704954 (E_RNA)
where:
Base-Base interactions energy: -409.985
where: short stacking energy: -185.538
Base-Backbone interact. energy: -0.359
local terms energy: -179.361151
where:
bonds (distance) C4'-P energy: -38.153
bonds (distance) P-C4' energy: -39.266
flat angles C4'-P-C4' energy: -39.722
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -39.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -521.847376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.847376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.847376 (E_RNA)
where:
Base-Base interactions energy: -347.379
where: short stacking energy: -159.652
Base-Backbone interact. energy: 3.337
local terms energy: -177.804891
where:
bonds (distance) C4'-P energy: -38.102
bonds (distance) P-C4' energy: -36.138
flat angles C4'-P-C4' energy: -42.227
flat angles P-C4'-P energy: -23.776
tors. eta vs tors. theta energy: -37.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -383.296007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.296007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.296007 (E_RNA)
where:
Base-Base interactions energy: -241.594
where: short stacking energy: -120.120
Base-Backbone interact. energy: -0.531
local terms energy: -141.171528
where:
bonds (distance) C4'-P energy: -42.516
bonds (distance) P-C4' energy: -35.518
flat angles C4'-P-C4' energy: -26.263
flat angles P-C4'-P energy: -19.123
tors. eta vs tors. theta energy: -17.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -217.284001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.284001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.284001 (E_RNA)
where:
Base-Base interactions energy: -83.333
where: short stacking energy: -81.376
Base-Backbone interact. energy: 1.032
local terms energy: -134.983869
where:
bonds (distance) C4'-P energy: -39.791
bonds (distance) P-C4' energy: -41.978
flat angles C4'-P-C4' energy: -38.422
flat angles P-C4'-P energy: -21.808
tors. eta vs tors. theta energy: 7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -860.523688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.523688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.523688 (E_RNA)
where:
Base-Base interactions energy: -591.468
where: short stacking energy: -258.788
Base-Backbone interact. energy: -0.002
local terms energy: -269.053731
where:
bonds (distance) C4'-P energy: -50.186
bonds (distance) P-C4' energy: -54.052
flat angles C4'-P-C4' energy: -51.888
flat angles P-C4'-P energy: -38.266
tors. eta vs tors. theta energy: -74.662
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: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -827.570304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.570304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.570304 (E_RNA)
where:
Base-Base interactions energy: -594.462
where: short stacking energy: -243.610
Base-Backbone interact. energy: -1.147
local terms energy: -231.960575
where:
bonds (distance) C4'-P energy: -37.419
bonds (distance) P-C4' energy: -43.185
flat angles C4'-P-C4' energy: -48.431
flat angles P-C4'-P energy: -33.852
tors. eta vs tors. theta energy: -69.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -756.821242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.821242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.821242 (E_RNA)
where:
Base-Base interactions energy: -533.522
where: short stacking energy: -222.888
Base-Backbone interact. energy: -1.217
local terms energy: -222.081417
where:
bonds (distance) C4'-P energy: -41.310
bonds (distance) P-C4' energy: -41.868
flat angles C4'-P-C4' energy: -50.767
flat angles P-C4'-P energy: -32.030
tors. eta vs tors. theta energy: -56.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -720.460221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.460221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.460221 (E_RNA)
where:
Base-Base interactions energy: -493.696
where: short stacking energy: -222.403
Base-Backbone interact. energy: 0.451
local terms energy: -227.215898
where:
bonds (distance) C4'-P energy: -39.800
bonds (distance) P-C4' energy: -36.898
flat angles C4'-P-C4' energy: -49.808
flat angles P-C4'-P energy: -38.251
tors. eta vs tors. theta energy: -62.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -728.141589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.141589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.141589 (E_RNA)
where:
Base-Base interactions energy: -502.286
where: short stacking energy: -222.770
Base-Backbone interact. energy: -0.498
local terms energy: -225.357279
where:
bonds (distance) C4'-P energy: -45.406
bonds (distance) P-C4' energy: -45.177
flat angles C4'-P-C4' energy: -47.901
flat angles P-C4'-P energy: -27.590
tors. eta vs tors. theta energy: -59.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -717.893221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.893221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.893221 (E_RNA)
where:
Base-Base interactions energy: -497.902
where: short stacking energy: -200.174
Base-Backbone interact. energy: -3.417
local terms energy: -216.574695
where:
bonds (distance) C4'-P energy: -46.765
bonds (distance) P-C4' energy: -39.497
flat angles C4'-P-C4' energy: -45.838
flat angles P-C4'-P energy: -31.925
tors. eta vs tors. theta energy: -52.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -635.650326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.650326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.650326 (E_RNA)
where:
Base-Base interactions energy: -445.378
where: short stacking energy: -194.659
Base-Backbone interact. energy: -1.315
local terms energy: -188.957121
where:
bonds (distance) C4'-P energy: -31.558
bonds (distance) P-C4' energy: -42.380
flat angles C4'-P-C4' energy: -43.992
flat angles P-C4'-P energy: -26.857
tors. eta vs tors. theta energy: -44.170
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: 8, replica: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -513.589718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.589718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.589718 (E_RNA)
where:
Base-Base interactions energy: -328.208
where: short stacking energy: -151.291
Base-Backbone interact. energy: -0.190
local terms energy: -185.191680
where:
bonds (distance) C4'-P energy: -37.383
bonds (distance) P-C4' energy: -40.026
flat angles C4'-P-C4' energy: -33.732
flat angles P-C4'-P energy: -36.677
tors. eta vs tors. theta energy: -37.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -382.522077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.522077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.522077 (E_RNA)
where:
Base-Base interactions energy: -232.811
where: short stacking energy: -102.544
Base-Backbone interact. energy: 2.338
local terms energy: -152.048836
where:
bonds (distance) C4'-P energy: -39.123
bonds (distance) P-C4' energy: -43.628
flat angles C4'-P-C4' energy: -28.346
flat angles P-C4'-P energy: -27.067
tors. eta vs tors. theta energy: -13.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -204.573655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.573655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.573655 (E_RNA)
where:
Base-Base interactions energy: -73.589
where: short stacking energy: -52.275
Base-Backbone interact. energy: -0.547
local terms energy: -130.437560
where:
bonds (distance) C4'-P energy: -40.305
bonds (distance) P-C4' energy: -34.984
flat angles C4'-P-C4' energy: -31.899
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -853.376665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.376665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.376665 (E_RNA)
where:
Base-Base interactions energy: -592.056
where: short stacking energy: -263.140
Base-Backbone interact. energy: -0.570
local terms energy: -260.750414
where:
bonds (distance) C4'-P energy: -45.708
bonds (distance) P-C4' energy: -47.400
flat angles C4'-P-C4' energy: -52.082
flat angles P-C4'-P energy: -33.332
tors. eta vs tors. theta energy: -82.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -826.646121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.646121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.646121 (E_RNA)
where:
Base-Base interactions energy: -577.642
where: short stacking energy: -234.380
Base-Backbone interact. energy: -1.104
local terms energy: -247.899852
where:
bonds (distance) C4'-P energy: -48.051
bonds (distance) P-C4' energy: -45.921
flat angles C4'-P-C4' energy: -53.618
flat angles P-C4'-P energy: -34.497
tors. eta vs tors. theta energy: -65.813
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: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -778.750827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.750827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.750827 (E_RNA)
where:
Base-Base interactions energy: -547.594
where: short stacking energy: -228.683
Base-Backbone interact. energy: -0.969
local terms energy: -230.187618
where:
bonds (distance) C4'-P energy: -41.755
bonds (distance) P-C4' energy: -43.914
flat angles C4'-P-C4' energy: -53.626
flat angles P-C4'-P energy: -34.424
tors. eta vs tors. theta energy: -56.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -755.897987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.897987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.897987 (E_RNA)
where:
Base-Base interactions energy: -510.435
where: short stacking energy: -211.909
Base-Backbone interact. energy: -2.604
local terms energy: -242.859172
where:
bonds (distance) C4'-P energy: -45.381
bonds (distance) P-C4' energy: -44.667
flat angles C4'-P-C4' energy: -52.497
flat angles P-C4'-P energy: -39.439
tors. eta vs tors. theta energy: -60.875
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: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -701.935331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.935331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.935331 (E_RNA)
where:
Base-Base interactions energy: -471.813
where: short stacking energy: -202.369
Base-Backbone interact. energy: -0.808
local terms energy: -229.313867
where:
bonds (distance) C4'-P energy: -36.391
bonds (distance) P-C4' energy: -48.246
flat angles C4'-P-C4' energy: -51.663
flat angles P-C4'-P energy: -38.471
tors. eta vs tors. theta energy: -54.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -711.798175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.798175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.798175 (E_RNA)
where:
Base-Base interactions energy: -496.387
where: short stacking energy: -223.895
Base-Backbone interact. energy: -1.301
local terms energy: -214.109251
where:
bonds (distance) C4'-P energy: -34.614
bonds (distance) P-C4' energy: -36.939
flat angles C4'-P-C4' energy: -50.775
flat angles P-C4'-P energy: -31.600
tors. eta vs tors. theta energy: -60.181
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: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -608.481591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.481591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.481591 (E_RNA)
where:
Base-Base interactions energy: -416.132
where: short stacking energy: -188.719
Base-Backbone interact. energy: -0.410
local terms energy: -191.939399
where:
bonds (distance) C4'-P energy: -29.351
bonds (distance) P-C4' energy: -45.268
flat angles C4'-P-C4' energy: -46.448
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -52.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -520.803521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.803521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.803521 (E_RNA)
where:
Base-Base interactions energy: -347.851
where: short stacking energy: -148.857
Base-Backbone interact. energy: -0.602
local terms energy: -172.349902
where:
bonds (distance) C4'-P energy: -31.478
bonds (distance) P-C4' energy: -46.713
flat angles C4'-P-C4' energy: -43.627
flat angles P-C4'-P energy: -26.154
tors. eta vs tors. theta energy: -24.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -373.451032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.451032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.451032 (E_RNA)
where:
Base-Base interactions energy: -219.694
where: short stacking energy: -112.501
Base-Backbone interact. energy: -1.949
local terms energy: -151.807432
where:
bonds (distance) C4'-P energy: -33.476
bonds (distance) P-C4' energy: -34.199
flat angles C4'-P-C4' energy: -41.819
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -32.528
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: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -228.795501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.795501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.795501 (E_RNA)
where:
Base-Base interactions energy: -82.910
where: short stacking energy: -81.262
Base-Backbone interact. energy: 0.123
local terms energy: -146.008645
where:
bonds (distance) C4'-P energy: -36.553
bonds (distance) P-C4' energy: -34.336
flat angles C4'-P-C4' energy: -41.944
flat angles P-C4'-P energy: -18.847
tors. eta vs tors. theta energy: -14.328
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: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -834.275826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.275826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.275826 (E_RNA)
where:
Base-Base interactions energy: -590.406
where: short stacking energy: -235.550
Base-Backbone interact. energy: 0.830
local terms energy: -244.700329
where:
bonds (distance) C4'-P energy: -50.204
bonds (distance) P-C4' energy: -44.359
flat angles C4'-P-C4' energy: -45.389
flat angles P-C4'-P energy: -37.092
tors. eta vs tors. theta energy: -67.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -844.289881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.289881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.289881 (E_RNA)
where:
Base-Base interactions energy: -582.832
where: short stacking energy: -242.965
Base-Backbone interact. energy: -0.429
local terms energy: -261.029614
where:
bonds (distance) C4'-P energy: -49.561
bonds (distance) P-C4' energy: -41.716
flat angles C4'-P-C4' energy: -56.916
flat angles P-C4'-P energy: -37.244
tors. eta vs tors. theta energy: -75.592
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: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -774.277524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.277524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.277524 (E_RNA)
where:
Base-Base interactions energy: -543.274
where: short stacking energy: -235.379
Base-Backbone interact. energy: -2.282
local terms energy: -228.722011
where:
bonds (distance) C4'-P energy: -43.231
bonds (distance) P-C4' energy: -40.103
flat angles C4'-P-C4' energy: -46.403
flat angles P-C4'-P energy: -33.177
tors. eta vs tors. theta energy: -65.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -755.898172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.898172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.898172 (E_RNA)
where:
Base-Base interactions energy: -519.424
where: short stacking energy: -224.569
Base-Backbone interact. energy: -0.198
local terms energy: -236.275905
where:
bonds (distance) C4'-P energy: -41.706
bonds (distance) P-C4' energy: -48.686
flat angles C4'-P-C4' energy: -41.013
flat angles P-C4'-P energy: -34.096
tors. eta vs tors. theta energy: -70.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -717.682911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.682911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.682911 (E_RNA)
where:
Base-Base interactions energy: -496.952
where: short stacking energy: -201.070
Base-Backbone interact. energy: -0.123
local terms energy: -220.607420
where:
bonds (distance) C4'-P energy: -39.021
bonds (distance) P-C4' energy: -48.598
flat angles C4'-P-C4' energy: -48.034
flat angles P-C4'-P energy: -27.116
tors. eta vs tors. theta energy: -57.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -695.635405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.635405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.635405 (E_RNA)
where:
Base-Base interactions energy: -476.633
where: short stacking energy: -206.475
Base-Backbone interact. energy: -1.139
local terms energy: -217.863329
where:
bonds (distance) C4'-P energy: -38.968
bonds (distance) P-C4' energy: -44.151
flat angles C4'-P-C4' energy: -45.675
flat angles P-C4'-P energy: -30.576
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: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -624.259974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.259974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.259974 (E_RNA)
where:
Base-Base interactions energy: -434.058
where: short stacking energy: -191.296
Base-Backbone interact. energy: 1.181
local terms energy: -191.382791
where:
bonds (distance) C4'-P energy: -36.066
bonds (distance) P-C4' energy: -35.154
flat angles C4'-P-C4' energy: -41.012
flat angles P-C4'-P energy: -28.344
tors. eta vs tors. theta energy: -50.808
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: 2
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -517.445880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.445880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.445880 (E_RNA)
where:
Base-Base interactions energy: -349.953
where: short stacking energy: -167.489
Base-Backbone interact. energy: -0.732
local terms energy: -166.761634
where:
bonds (distance) C4'-P energy: -34.018
bonds (distance) P-C4' energy: -36.136
flat angles C4'-P-C4' energy: -38.393
flat angles P-C4'-P energy: -25.256
tors. eta vs tors. theta energy: -32.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -375.307132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.307132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.307132 (E_RNA)
where:
Base-Base interactions energy: -223.238
where: short stacking energy: -115.711
Base-Backbone interact. energy: -1.640
local terms energy: -150.429424
where:
bonds (distance) C4'-P energy: -35.602
bonds (distance) P-C4' energy: -50.137
flat angles C4'-P-C4' energy: -35.895
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -224.050721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.050721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.050721 (E_RNA)
where:
Base-Base interactions energy: -88.229
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.025
local terms energy: -135.796363
where:
bonds (distance) C4'-P energy: -34.059
bonds (distance) P-C4' energy: -44.912
flat angles C4'-P-C4' energy: -30.440
flat angles P-C4'-P energy: -23.446
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -813.866034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.866034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.866034 (E_RNA)
where:
Base-Base interactions energy: -559.839
where: short stacking energy: -229.076
Base-Backbone interact. energy: -1.810
local terms energy: -252.217074
where:
bonds (distance) C4'-P energy: -40.785
bonds (distance) P-C4' energy: -53.387
flat angles C4'-P-C4' energy: -56.887
flat angles P-C4'-P energy: -36.268
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: 2, replica: 5
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -841.763214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.763214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.763214 (E_RNA)
where:
Base-Base interactions energy: -568.228
where: short stacking energy: -252.399
Base-Backbone interact. energy: -0.817
local terms energy: -272.717728
where:
bonds (distance) C4'-P energy: -48.059
bonds (distance) P-C4' energy: -51.377
flat angles C4'-P-C4' energy: -56.402
flat angles P-C4'-P energy: -40.776
tors. eta vs tors. theta energy: -76.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -783.952633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.952633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.952633 (E_RNA)
where:
Base-Base interactions energy: -538.389
where: short stacking energy: -229.901
Base-Backbone interact. energy: -0.552
local terms energy: -245.011890
where:
bonds (distance) C4'-P energy: -51.068
bonds (distance) P-C4' energy: -46.797
flat angles C4'-P-C4' energy: -49.894
flat angles P-C4'-P energy: -36.464
tors. eta vs tors. theta energy: -60.789
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: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -741.886657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.886657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.886657 (E_RNA)
where:
Base-Base interactions energy: -504.438
where: short stacking energy: -221.027
Base-Backbone interact. energy: -0.289
local terms energy: -237.160081
where:
bonds (distance) C4'-P energy: -46.447
bonds (distance) P-C4' energy: -41.010
flat angles C4'-P-C4' energy: -45.003
flat angles P-C4'-P energy: -38.050
tors. eta vs tors. theta energy: -66.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -729.943154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.943154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.943154 (E_RNA)
where:
Base-Base interactions energy: -504.752
where: short stacking energy: -225.687
Base-Backbone interact. energy: -2.893
local terms energy: -222.298159
where:
bonds (distance) C4'-P energy: -40.747
bonds (distance) P-C4' energy: -36.720
flat angles C4'-P-C4' energy: -51.468
flat angles P-C4'-P energy: -31.933
tors. eta vs tors. theta energy: -61.431
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: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -702.880382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.880382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.880382 (E_RNA)
where:
Base-Base interactions energy: -480.383
where: short stacking energy: -206.857
Base-Backbone interact. energy: -0.485
local terms energy: -222.012537
where:
bonds (distance) C4'-P energy: -35.796
bonds (distance) P-C4' energy: -43.864
flat angles C4'-P-C4' energy: -48.492
flat angles P-C4'-P energy: -32.643
tors. eta vs tors. theta energy: -61.217
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: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -644.105999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.105999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.105999 (E_RNA)
where:
Base-Base interactions energy: -430.658
where: short stacking energy: -191.193
Base-Backbone interact. energy: -1.331
local terms energy: -212.117344
where:
bonds (distance) C4'-P energy: -44.033
bonds (distance) P-C4' energy: -43.103
flat angles C4'-P-C4' energy: -44.695
flat angles P-C4'-P energy: -29.278
tors. eta vs tors. theta energy: -51.009
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: 269
Temperature: 1.250000
Total energy: -531.109603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.109603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.109603 (E_RNA)
where:
Base-Base interactions energy: -341.696
where: short stacking energy: -140.222
Base-Backbone interact. energy: -0.477
local terms energy: -188.936117
where:
bonds (distance) C4'-P energy: -42.852
bonds (distance) P-C4' energy: -40.933
flat angles C4'-P-C4' energy: -41.378
flat angles P-C4'-P energy: -34.089
tors. eta vs tors. theta energy: -29.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -323.749915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.749915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.749915 (E_RNA)
where:
Base-Base interactions energy: -183.229
where: short stacking energy: -114.296
Base-Backbone interact. energy: 0.221
local terms energy: -140.742059
where:
bonds (distance) C4'-P energy: -26.141
bonds (distance) P-C4' energy: -33.691
flat angles C4'-P-C4' energy: -41.470
flat angles P-C4'-P energy: -30.339
tors. eta vs tors. theta energy: -9.100
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: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -221.896961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.896961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.896961 (E_RNA)
where:
Base-Base interactions energy: -82.007
where: short stacking energy: -62.442
Base-Backbone interact. energy: -1.729
local terms energy: -138.160432
where:
bonds (distance) C4'-P energy: -43.073
bonds (distance) P-C4' energy: -42.447
flat angles C4'-P-C4' energy: -33.729
flat angles P-C4'-P energy: -25.979
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: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -848.892055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.892055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.892055 (E_RNA)
where:
Base-Base interactions energy: -590.303
where: short stacking energy: -261.368
Base-Backbone interact. energy: -0.559
local terms energy: -258.030449
where:
bonds (distance) C4'-P energy: -47.674
bonds (distance) P-C4' energy: -42.402
flat angles C4'-P-C4' energy: -55.117
flat angles P-C4'-P energy: -32.636
tors. eta vs tors. theta energy: -80.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -814.589092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.589092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.589092 (E_RNA)
where:
Base-Base interactions energy: -563.355
where: short stacking energy: -235.272
Base-Backbone interact. energy: 0.302
local terms energy: -251.535361
where:
bonds (distance) C4'-P energy: -50.303
bonds (distance) P-C4' energy: -44.105
flat angles C4'-P-C4' energy: -54.832
flat angles P-C4'-P energy: -38.809
tors. eta vs tors. theta energy: -63.486
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: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -789.576841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.576841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.576841 (E_RNA)
where:
Base-Base interactions energy: -535.708
where: short stacking energy: -223.851
Base-Backbone interact. energy: -0.284
local terms energy: -253.585076
where:
bonds (distance) C4'-P energy: -51.304
bonds (distance) P-C4' energy: -46.105
flat angles C4'-P-C4' energy: -55.648
flat angles P-C4'-P energy: -34.284
tors. eta vs tors. theta energy: -66.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -745.611641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.611641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.611641 (E_RNA)
where:
Base-Base interactions energy: -508.946
where: short stacking energy: -209.927
Base-Backbone interact. energy: 0.310
local terms energy: -236.975628
where:
bonds (distance) C4'-P energy: -48.745
bonds (distance) P-C4' energy: -46.259
flat angles C4'-P-C4' energy: -50.251
flat angles P-C4'-P energy: -31.385
tors. eta vs tors. theta energy: -60.335
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: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -678.067616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.067616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.067616 (E_RNA)
where:
Base-Base interactions energy: -461.152
where: short stacking energy: -208.463
Base-Backbone interact. energy: 0.107
local terms energy: -217.022794
where:
bonds (distance) C4'-P energy: -41.055
bonds (distance) P-C4' energy: -40.721
flat angles C4'-P-C4' energy: -47.540
flat angles P-C4'-P energy: -29.554
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: 6, replica: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -699.016208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.016208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.016208 (E_RNA)
where:
Base-Base interactions energy: -493.725
where: short stacking energy: -201.756
Base-Backbone interact. energy: 9.489
local terms energy: -214.780077
where:
bonds (distance) C4'-P energy: -42.464
bonds (distance) P-C4' energy: -36.942
flat angles C4'-P-C4' energy: -43.820
flat angles P-C4'-P energy: -34.916
tors. eta vs tors. theta energy: -56.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -635.129795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.129795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.129795 (E_RNA)
where:
Base-Base interactions energy: -434.159
where: short stacking energy: -198.566
Base-Backbone interact. energy: -0.869
local terms energy: -200.101420
where:
bonds (distance) C4'-P energy: -41.758
bonds (distance) P-C4' energy: -34.909
flat angles C4'-P-C4' energy: -43.955
flat angles P-C4'-P energy: -30.040
tors. eta vs tors. theta energy: -49.440
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: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -533.464902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.464902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.464902 (E_RNA)
where:
Base-Base interactions energy: -359.662
where: short stacking energy: -158.099
Base-Backbone interact. energy: -0.915
local terms energy: -172.887778
where:
bonds (distance) C4'-P energy: -38.282
bonds (distance) P-C4' energy: -39.683
flat angles C4'-P-C4' energy: -36.162
flat angles P-C4'-P energy: -24.140
tors. eta vs tors. theta energy: -34.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -347.480076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.480076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.480076 (E_RNA)
where:
Base-Base interactions energy: -185.181
where: short stacking energy: -97.678
Base-Backbone interact. energy: -2.240
local terms energy: -160.058465
where:
bonds (distance) C4'-P energy: -44.907
bonds (distance) P-C4' energy: -37.618
flat angles C4'-P-C4' energy: -32.003
flat angles P-C4'-P energy: -35.418
tors. eta vs tors. theta energy: -10.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -224.583223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.583223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.583223 (E_RNA)
where:
Base-Base interactions energy: -92.330
where: short stacking energy: -79.087
Base-Backbone interact. energy: -0.565
local terms energy: -131.688304
where:
bonds (distance) C4'-P energy: -35.542
bonds (distance) P-C4' energy: -41.214
flat angles C4'-P-C4' energy: -26.111
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -3.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -840.343610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.343610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.343610 (E_RNA)
where:
Base-Base interactions energy: -577.576
where: short stacking energy: -263.279
Base-Backbone interact. energy: -0.679
local terms energy: -262.088405
where:
bonds (distance) C4'-P energy: -44.008
bonds (distance) P-C4' energy: -53.575
flat angles C4'-P-C4' energy: -55.150
flat angles P-C4'-P energy: -34.714
tors. eta vs tors. theta energy: -74.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -806.244798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.244798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.244798 (E_RNA)
where:
Base-Base interactions energy: -563.902
where: short stacking energy: -229.463
Base-Backbone interact. energy: -0.454
local terms energy: -241.888848
where:
bonds (distance) C4'-P energy: -39.605
bonds (distance) P-C4' energy: -53.831
flat angles C4'-P-C4' energy: -51.904
flat angles P-C4'-P energy: -37.680
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: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -794.794795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.794795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.794795 (E_RNA)
where:
Base-Base interactions energy: -559.781
where: short stacking energy: -234.889
Base-Backbone interact. energy: -0.029
local terms energy: -234.984288
where:
bonds (distance) C4'-P energy: -35.508
bonds (distance) P-C4' energy: -47.023
flat angles C4'-P-C4' energy: -50.777
flat angles P-C4'-P energy: -34.943
tors. eta vs tors. theta energy: -66.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -747.340688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.340688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.340688 (E_RNA)
where:
Base-Base interactions energy: -512.370
where: short stacking energy: -222.485
Base-Backbone interact. energy: -0.377
local terms energy: -234.593197
where:
bonds (distance) C4'-P energy: -44.482
bonds (distance) P-C4' energy: -44.342
flat angles C4'-P-C4' energy: -54.855
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -66.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -712.049302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.049302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.049302 (E_RNA)
where:
Base-Base interactions energy: -493.307
where: short stacking energy: -208.465
Base-Backbone interact. energy: 3.080
local terms energy: -221.822494
where:
bonds (distance) C4'-P energy: -35.312
bonds (distance) P-C4' energy: -46.506
flat angles C4'-P-C4' energy: -48.964
flat angles P-C4'-P energy: -31.899
tors. eta vs tors. theta energy: -59.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -701.917199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.917199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.917199 (E_RNA)
where:
Base-Base interactions energy: -497.176
where: short stacking energy: -210.378
Base-Backbone interact. energy: -1.754
local terms energy: -202.987211
where:
bonds (distance) C4'-P energy: -38.344
bonds (distance) P-C4' energy: -31.637
flat angles C4'-P-C4' energy: -43.579
flat angles P-C4'-P energy: -39.277
tors. eta vs tors. theta energy: -50.149
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: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -648.280185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.280185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.280185 (E_RNA)
where:
Base-Base interactions energy: -445.422
where: short stacking energy: -183.402
Base-Backbone interact. energy: -0.711
local terms energy: -202.147056
where:
bonds (distance) C4'-P energy: -43.088
bonds (distance) P-C4' energy: -33.136
flat angles C4'-P-C4' energy: -44.136
flat angles P-C4'-P energy: -29.175
tors. eta vs tors. theta energy: -52.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -509.437737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.437737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.437737 (E_RNA)
where:
Base-Base interactions energy: -323.669
where: short stacking energy: -151.137
Base-Backbone interact. energy: -0.489
local terms energy: -185.278856
where:
bonds (distance) C4'-P energy: -42.818
bonds (distance) P-C4' energy: -41.145
flat angles C4'-P-C4' energy: -41.541
flat angles P-C4'-P energy: -27.560
tors. eta vs tors. theta energy: -32.214
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: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -326.604027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.604027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.604027 (E_RNA)
where:
Base-Base interactions energy: -169.040
where: short stacking energy: -104.609
Base-Backbone interact. energy: -0.695
local terms energy: -156.869396
where:
bonds (distance) C4'-P energy: -41.601
bonds (distance) P-C4' energy: -38.455
flat angles C4'-P-C4' energy: -42.222
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -207.479807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.479807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.479807 (E_RNA)
where:
Base-Base interactions energy: -75.092
where: short stacking energy: -73.293
Base-Backbone interact. energy: -0.394
local terms energy: -131.994016
where:
bonds (distance) C4'-P energy: -43.391
bonds (distance) P-C4' energy: -44.718
flat angles C4'-P-C4' energy: -28.034
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: 0.044
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: 1, replica: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -842.489843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.489843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.489843 (E_RNA)
where:
Base-Base interactions energy: -581.462
where: short stacking energy: -233.182
Base-Backbone interact. energy: -1.314
local terms energy: -259.714138
where:
bonds (distance) C4'-P energy: -46.528
bonds (distance) P-C4' energy: -50.842
flat angles C4'-P-C4' energy: -54.809
flat angles P-C4'-P energy: -34.956
tors. eta vs tors. theta energy: -72.578
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: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -781.704994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.704994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.704994 (E_RNA)
where:
Base-Base interactions energy: -540.606
where: short stacking energy: -216.563
Base-Backbone interact. energy: -0.524
local terms energy: -240.574958
where:
bonds (distance) C4'-P energy: -51.660
bonds (distance) P-C4' energy: -41.292
flat angles C4'-P-C4' energy: -50.404
flat angles P-C4'-P energy: -34.594
tors. eta vs tors. theta energy: -62.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -764.739152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.739152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.739152 (E_RNA)
where:
Base-Base interactions energy: -531.430
where: short stacking energy: -219.766
Base-Backbone interact. energy: -1.632
local terms energy: -231.676708
where:
bonds (distance) C4'-P energy: -40.150
bonds (distance) P-C4' energy: -49.867
flat angles C4'-P-C4' energy: -45.338
flat angles P-C4'-P energy: -29.001
tors. eta vs tors. theta energy: -67.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -785.638621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.638621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.638621 (E_RNA)
where:
Base-Base interactions energy: -542.259
where: short stacking energy: -224.250
Base-Backbone interact. energy: 0.854
local terms energy: -244.233308
where:
bonds (distance) C4'-P energy: -48.190
bonds (distance) P-C4' energy: -45.661
flat angles C4'-P-C4' energy: -52.470
flat angles P-C4'-P energy: -30.957
tors. eta vs tors. theta energy: -66.955
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: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -702.521227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.521227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.521227 (E_RNA)
where:
Base-Base interactions energy: -488.841
where: short stacking energy: -202.008
Base-Backbone interact. energy: -1.176
local terms energy: -212.504793
where:
bonds (distance) C4'-P energy: -38.005
bonds (distance) P-C4' energy: -43.947
flat angles C4'-P-C4' energy: -46.766
flat angles P-C4'-P energy: -31.153
tors. eta vs tors. theta energy: -52.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -704.911904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.911904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.911904 (E_RNA)
where:
Base-Base interactions energy: -480.452
where: short stacking energy: -219.516
Base-Backbone interact. energy: -1.183
local terms energy: -223.276385
where:
bonds (distance) C4'-P energy: -50.455
bonds (distance) P-C4' energy: -41.345
flat angles C4'-P-C4' energy: -49.523
flat angles P-C4'-P energy: -25.660
tors. eta vs tors. theta energy: -56.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -653.436707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.436707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.436707 (E_RNA)
where:
Base-Base interactions energy: -445.429
where: short stacking energy: -192.747
Base-Backbone interact. energy: 0.014
local terms energy: -208.021650
where:
bonds (distance) C4'-P energy: -35.464
bonds (distance) P-C4' energy: -39.741
flat angles C4'-P-C4' energy: -43.410
flat angles P-C4'-P energy: -32.858
tors. eta vs tors. theta energy: -56.548
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: 2
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -552.377522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.377522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.377522 (E_RNA)
where:
Base-Base interactions energy: -372.027
where: short stacking energy: -177.029
Base-Backbone interact. energy: -0.586
local terms energy: -179.764135
where:
bonds (distance) C4'-P energy: -30.073
bonds (distance) P-C4' energy: -41.752
flat angles C4'-P-C4' energy: -40.760
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: -46.053
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: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -325.167349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.167349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.167349 (E_RNA)
where:
Base-Base interactions energy: -178.818
where: short stacking energy: -99.779
Base-Backbone interact. energy: 1.222
local terms energy: -147.570395
where:
bonds (distance) C4'-P energy: -26.515
bonds (distance) P-C4' energy: -45.598
flat angles C4'-P-C4' energy: -40.372
flat angles P-C4'-P energy: -25.876
tors. eta vs tors. theta energy: -9.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -206.122694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.122694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.122694 (E_RNA)
where:
Base-Base interactions energy: -89.707
where: short stacking energy: -60.321
Base-Backbone interact. energy: -0.915
local terms energy: -115.500833
where:
bonds (distance) C4'-P energy: -45.437
bonds (distance) P-C4' energy: -37.695
flat angles C4'-P-C4' energy: -39.410
flat angles P-C4'-P energy: -1.482
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: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -841.332514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.332514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.332514 (E_RNA)
where:
Base-Base interactions energy: -576.434
where: short stacking energy: -266.083
Base-Backbone interact. energy: -0.788
local terms energy: -264.110121
where:
bonds (distance) C4'-P energy: -45.240
bonds (distance) P-C4' energy: -45.476
flat angles C4'-P-C4' energy: -53.365
flat angles P-C4'-P energy: -39.071
tors. eta vs tors. theta energy: -80.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -796.439736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.439736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.439736 (E_RNA)
where:
Base-Base interactions energy: -547.949
where: short stacking energy: -239.489
Base-Backbone interact. energy: 0.161
local terms energy: -248.652405
where:
bonds (distance) C4'-P energy: -40.685
bonds (distance) P-C4' energy: -46.159
flat angles C4'-P-C4' energy: -53.326
flat angles P-C4'-P energy: -42.625
tors. eta vs tors. theta energy: -65.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -752.178029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.178029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.178029 (E_RNA)
where:
Base-Base interactions energy: -523.292
where: short stacking energy: -224.649
Base-Backbone interact. energy: -0.909
local terms energy: -227.977659
where:
bonds (distance) C4'-P energy: -47.255
bonds (distance) P-C4' energy: -43.592
flat angles C4'-P-C4' energy: -49.438
flat angles P-C4'-P energy: -25.323
tors. eta vs tors. theta energy: -62.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -785.254194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.254194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.254194 (E_RNA)
where:
Base-Base interactions energy: -556.130
where: short stacking energy: -225.435
Base-Backbone interact. energy: -0.600
local terms energy: -228.523662
where:
bonds (distance) C4'-P energy: -36.821
bonds (distance) P-C4' energy: -42.105
flat angles C4'-P-C4' energy: -45.320
flat angles P-C4'-P energy: -36.871
tors. eta vs tors. theta energy: -67.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -722.208171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.208171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.208171 (E_RNA)
where:
Base-Base interactions energy: -512.053
where: short stacking energy: -221.549
Base-Backbone interact. energy: 0.191
local terms energy: -210.345689
where:
bonds (distance) C4'-P energy: -47.486
bonds (distance) P-C4' energy: -34.621
flat angles C4'-P-C4' energy: -42.462
flat angles P-C4'-P energy: -24.262
tors. eta vs tors. theta energy: -61.515
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: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -685.189194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.189194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.189194 (E_RNA)
where:
Base-Base interactions energy: -473.063
where: short stacking energy: -210.763
Base-Backbone interact. energy: -0.743
local terms energy: -211.383166
where:
bonds (distance) C4'-P energy: -38.750
bonds (distance) P-C4' energy: -35.220
flat angles C4'-P-C4' energy: -47.257
flat angles P-C4'-P energy: -34.284
tors. eta vs tors. theta energy: -55.872
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: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -650.557952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.557952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.557952 (E_RNA)
where:
Base-Base interactions energy: -435.107
where: short stacking energy: -187.777
Base-Backbone interact. energy: -0.632
local terms energy: -214.818711
where:
bonds (distance) C4'-P energy: -39.249
bonds (distance) P-C4' energy: -43.935
flat angles C4'-P-C4' energy: -44.360
flat angles P-C4'-P energy: -31.653
tors. eta vs tors. theta energy: -55.622
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: 8, replica: 2
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -529.004834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.004834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.004834 (E_RNA)
where:
Base-Base interactions energy: -343.829
where: short stacking energy: -156.878
Base-Backbone interact. energy: -0.878
local terms energy: -184.297997
where:
bonds (distance) C4'-P energy: -43.891
bonds (distance) P-C4' energy: -35.429
flat angles C4'-P-C4' energy: -41.566
flat angles P-C4'-P energy: -33.559
tors. eta vs tors. theta energy: -29.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -330.956369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.956369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.956369 (E_RNA)
where:
Base-Base interactions energy: -190.456
where: short stacking energy: -117.852
Base-Backbone interact. energy: -0.426
local terms energy: -140.073908
where:
bonds (distance) C4'-P energy: -38.005
bonds (distance) P-C4' energy: -26.488
flat angles C4'-P-C4' energy: -31.364
flat angles P-C4'-P energy: -22.105
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -215.929580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.929580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.929580 (E_RNA)
where:
Base-Base interactions energy: -103.364
where: short stacking energy: -65.416
Base-Backbone interact. energy: -0.348
local terms energy: -112.217874
where:
bonds (distance) C4'-P energy: -41.653
bonds (distance) P-C4' energy: -30.903
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: 6.044
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: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -815.704438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.704438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.704438 (E_RNA)
where:
Base-Base interactions energy: -557.673
where: short stacking energy: -235.691
Base-Backbone interact. energy: -1.576
local terms energy: -256.455846
where:
bonds (distance) C4'-P energy: -48.830
bonds (distance) P-C4' energy: -47.894
flat angles C4'-P-C4' energy: -57.973
flat angles P-C4'-P energy: -33.929
tors. eta vs tors. theta energy: -67.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -826.866507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.866507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.866507 (E_RNA)
where:
Base-Base interactions energy: -565.545
where: short stacking energy: -250.662
Base-Backbone interact. energy: -0.600
local terms energy: -260.721301
where:
bonds (distance) C4'-P energy: -46.030
bonds (distance) P-C4' energy: -51.715
flat angles C4'-P-C4' energy: -57.026
flat angles P-C4'-P energy: -33.673
tors. eta vs tors. theta energy: -72.277
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: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -806.808788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.808788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.808788 (E_RNA)
where:
Base-Base interactions energy: -580.826
where: short stacking energy: -222.864
Base-Backbone interact. energy: -1.081
local terms energy: -224.901775
where:
bonds (distance) C4'-P energy: -45.898
bonds (distance) P-C4' energy: -38.499
flat angles C4'-P-C4' energy: -46.732
flat angles P-C4'-P energy: -35.355
tors. eta vs tors. theta energy: -58.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -726.968559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.968559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.968559 (E_RNA)
where:
Base-Base interactions energy: -506.195
where: short stacking energy: -218.070
Base-Backbone interact. energy: -2.356
local terms energy: -218.417783
where:
bonds (distance) C4'-P energy: -34.439
bonds (distance) P-C4' energy: -45.319
flat angles C4'-P-C4' energy: -48.937
flat angles P-C4'-P energy: -30.387
tors. eta vs tors. theta energy: -59.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -701.225172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.225172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.225172 (E_RNA)
where:
Base-Base interactions energy: -493.505
where: short stacking energy: -217.724
Base-Backbone interact. energy: -0.881
local terms energy: -206.839984
where:
bonds (distance) C4'-P energy: -42.444
bonds (distance) P-C4' energy: -41.583
flat angles C4'-P-C4' energy: -44.416
flat angles P-C4'-P energy: -25.079
tors. eta vs tors. theta energy: -53.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -700.627301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.627301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.627301 (E_RNA)
where:
Base-Base interactions energy: -481.299
where: short stacking energy: -204.466
Base-Backbone interact. energy: 3.106
local terms energy: -222.434361
where:
bonds (distance) C4'-P energy: -40.034
bonds (distance) P-C4' energy: -50.371
flat angles C4'-P-C4' energy: -44.972
flat angles P-C4'-P energy: -36.078
tors. eta vs tors. theta energy: -50.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -648.133121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.133121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.133121 (E_RNA)
where:
Base-Base interactions energy: -445.264
where: short stacking energy: -190.153
Base-Backbone interact. energy: -0.859
local terms energy: -202.009530
where:
bonds (distance) C4'-P energy: -35.158
bonds (distance) P-C4' energy: -45.702
flat angles C4'-P-C4' energy: -43.303
flat angles P-C4'-P energy: -28.093
tors. eta vs tors. theta energy: -49.753
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: 274
Temperature: 1.250000
Total energy: -503.401849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.401849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.401849 (E_RNA)
where:
Base-Base interactions energy: -327.905
where: short stacking energy: -164.555
Base-Backbone interact. energy: -1.406
local terms energy: -174.091563
where:
bonds (distance) C4'-P energy: -29.222
bonds (distance) P-C4' energy: -41.317
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -30.098
tors. eta vs tors. theta energy: -38.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -363.173349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.173349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.173349 (E_RNA)
where:
Base-Base interactions energy: -208.098
where: short stacking energy: -103.309
Base-Backbone interact. energy: -0.478
local terms energy: -154.597082
where:
bonds (distance) C4'-P energy: -27.543
bonds (distance) P-C4' energy: -46.872
flat angles C4'-P-C4' energy: -36.188
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -20.757
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: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -204.807316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.807316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.807316 (E_RNA)
where:
Base-Base interactions energy: -86.244
where: short stacking energy: -49.939
Base-Backbone interact. energy: -2.645
local terms energy: -115.918359
where:
bonds (distance) C4'-P energy: -32.727
bonds (distance) P-C4' energy: -38.539
flat angles C4'-P-C4' energy: -35.527
flat angles P-C4'-P energy: -16.496
tors. eta vs tors. theta energy: 7.371
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: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -822.764945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.764945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.764945 (E_RNA)
where:
Base-Base interactions energy: -572.801
where: short stacking energy: -237.134
Base-Backbone interact. energy: -2.781
local terms energy: -247.183343
where:
bonds (distance) C4'-P energy: -50.420
bonds (distance) P-C4' energy: -45.849
flat angles C4'-P-C4' energy: -51.785
flat angles P-C4'-P energy: -36.379
tors. eta vs tors. theta energy: -62.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -823.567912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.567912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.567912 (E_RNA)
where:
Base-Base interactions energy: -575.422
where: short stacking energy: -251.493
Base-Backbone interact. energy: -2.167
local terms energy: -245.978791
where:
bonds (distance) C4'-P energy: -42.209
bonds (distance) P-C4' energy: -51.670
flat angles C4'-P-C4' energy: -45.482
flat angles P-C4'-P energy: -29.538
tors. eta vs tors. theta energy: -77.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -801.589165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.589165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.589165 (E_RNA)
where:
Base-Base interactions energy: -574.603
where: short stacking energy: -225.072
Base-Backbone interact. energy: -1.571
local terms energy: -225.415418
where:
bonds (distance) C4'-P energy: -40.416
bonds (distance) P-C4' energy: -40.014
flat angles C4'-P-C4' energy: -50.795
flat angles P-C4'-P energy: -31.008
tors. eta vs tors. theta energy: -63.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -742.783114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.783114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.783114 (E_RNA)
where:
Base-Base interactions energy: -515.443
where: short stacking energy: -226.204
Base-Backbone interact. energy: -0.736
local terms energy: -226.604075
where:
bonds (distance) C4'-P energy: -42.608
bonds (distance) P-C4' energy: -46.289
flat angles C4'-P-C4' energy: -45.806
flat angles P-C4'-P energy: -28.590
tors. eta vs tors. theta energy: -63.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -715.320022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.320022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.320022 (E_RNA)
where:
Base-Base interactions energy: -517.633
where: short stacking energy: -212.609
Base-Backbone interact. energy: -0.341
local terms energy: -197.345940
where:
bonds (distance) C4'-P energy: -39.245
bonds (distance) P-C4' energy: -37.381
flat angles C4'-P-C4' energy: -36.002
flat angles P-C4'-P energy: -31.416
tors. eta vs tors. theta energy: -53.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -722.319818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.319818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.319818 (E_RNA)
where:
Base-Base interactions energy: -492.038
where: short stacking energy: -212.001
Base-Backbone interact. energy: -1.901
local terms energy: -228.380223
where:
bonds (distance) C4'-P energy: -45.821
bonds (distance) P-C4' energy: -44.572
flat angles C4'-P-C4' energy: -48.064
flat angles P-C4'-P energy: -29.238
tors. eta vs tors. theta energy: -60.686
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: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -643.568113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.568113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.568113 (E_RNA)
where:
Base-Base interactions energy: -437.909
where: short stacking energy: -200.675
Base-Backbone interact. energy: -0.608
local terms energy: -205.051886
where:
bonds (distance) C4'-P energy: -29.957
bonds (distance) P-C4' energy: -37.940
flat angles C4'-P-C4' energy: -49.317
flat angles P-C4'-P energy: -35.803
tors. eta vs tors. theta energy: -52.035
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: 275
Temperature: 1.250000
Total energy: -547.854018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.854018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.854018 (E_RNA)
where:
Base-Base interactions energy: -356.389
where: short stacking energy: -159.652
Base-Backbone interact. energy: 4.581
local terms energy: -196.046329
where:
bonds (distance) C4'-P energy: -35.543
bonds (distance) P-C4' energy: -42.215
flat angles C4'-P-C4' energy: -45.554
flat angles P-C4'-P energy: -33.950
tors. eta vs tors. theta energy: -38.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -322.668747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.668747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.668747 (E_RNA)
where:
Base-Base interactions energy: -171.529
where: short stacking energy: -105.890
Base-Backbone interact. energy: -0.311
local terms energy: -150.829108
where:
bonds (distance) C4'-P energy: -44.668
bonds (distance) P-C4' energy: -37.408
flat angles C4'-P-C4' energy: -31.067
flat angles P-C4'-P energy: -26.486
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -199.266864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.266864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.266864 (E_RNA)
where:
Base-Base interactions energy: -74.999
where: short stacking energy: -51.667
Base-Backbone interact. energy: 1.927
local terms energy: -126.194678
where:
bonds (distance) C4'-P energy: -39.449
bonds (distance) P-C4' energy: -36.414
flat angles C4'-P-C4' energy: -35.371
flat angles P-C4'-P energy: -31.372
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: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -846.547905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.547905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.547905 (E_RNA)
where:
Base-Base interactions energy: -591.108
where: short stacking energy: -257.503
Base-Backbone interact. energy: -0.362
local terms energy: -255.077894
where:
bonds (distance) C4'-P energy: -48.614
bonds (distance) P-C4' energy: -43.396
flat angles C4'-P-C4' energy: -53.779
flat angles P-C4'-P energy: -28.581
tors. eta vs tors. theta energy: -80.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -802.984971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.984971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.984971 (E_RNA)
where:
Base-Base interactions energy: -556.409
where: short stacking energy: -235.599
Base-Backbone interact. energy: -1.649
local terms energy: -244.927090
where:
bonds (distance) C4'-P energy: -38.866
bonds (distance) P-C4' energy: -47.997
flat angles C4'-P-C4' energy: -51.265
flat angles P-C4'-P energy: -41.538
tors. eta vs tors. theta energy: -65.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -811.980105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.980105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.980105 (E_RNA)
where:
Base-Base interactions energy: -581.921
where: short stacking energy: -234.335
Base-Backbone interact. energy: -0.946
local terms energy: -229.112984
where:
bonds (distance) C4'-P energy: -45.344
bonds (distance) P-C4' energy: -38.842
flat angles C4'-P-C4' energy: -52.040
flat angles P-C4'-P energy: -33.400
tors. eta vs tors. theta energy: -59.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -740.984386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.984386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.984386 (E_RNA)
where:
Base-Base interactions energy: -518.143
where: short stacking energy: -233.572
Base-Backbone interact. energy: -1.369
local terms energy: -221.472211
where:
bonds (distance) C4'-P energy: -36.005
bonds (distance) P-C4' energy: -36.837
flat angles C4'-P-C4' energy: -51.559
flat angles P-C4'-P energy: -32.826
tors. eta vs tors. theta energy: -64.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -683.794279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.794279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.794279 (E_RNA)
where:
Base-Base interactions energy: -464.416
where: short stacking energy: -196.170
Base-Backbone interact. energy: -1.253
local terms energy: -218.125705
where:
bonds (distance) C4'-P energy: -40.651
bonds (distance) P-C4' energy: -47.757
flat angles C4'-P-C4' energy: -45.910
flat angles P-C4'-P energy: -30.430
tors. eta vs tors. theta energy: -53.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -681.425199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.425199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.425199 (E_RNA)
where:
Base-Base interactions energy: -470.629
where: short stacking energy: -185.423
Base-Backbone interact. energy: -1.404
local terms energy: -209.392662
where:
bonds (distance) C4'-P energy: -48.213
bonds (distance) P-C4' energy: -45.899
flat angles C4'-P-C4' energy: -46.163
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -55.835
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: 3
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -646.985228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.985228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.985228 (E_RNA)
where:
Base-Base interactions energy: -458.639
where: short stacking energy: -196.072
Base-Backbone interact. energy: -0.533
local terms energy: -187.813140
where:
bonds (distance) C4'-P energy: -28.472
bonds (distance) P-C4' energy: -38.748
flat angles C4'-P-C4' energy: -45.290
flat angles P-C4'-P energy: -29.428
tors. eta vs tors. theta energy: -45.875
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: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -530.376616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.376616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.376616 (E_RNA)
where:
Base-Base interactions energy: -360.478
where: short stacking energy: -162.843
Base-Backbone interact. energy: -0.631
local terms energy: -169.267468
where:
bonds (distance) C4'-P energy: -33.256
bonds (distance) P-C4' energy: -44.112
flat angles C4'-P-C4' energy: -27.984
flat angles P-C4'-P energy: -28.976
tors. eta vs tors. theta energy: -34.940
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: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -335.075290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.075290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.075290 (E_RNA)
where:
Base-Base interactions energy: -190.086
where: short stacking energy: -109.871
Base-Backbone interact. energy: 0.496
local terms energy: -145.485252
where:
bonds (distance) C4'-P energy: -38.361
bonds (distance) P-C4' energy: -33.584
flat angles C4'-P-C4' energy: -32.372
flat angles P-C4'-P energy: -23.035
tors. eta vs tors. theta energy: -18.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -228.447827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.447827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.447827 (E_RNA)
where:
Base-Base interactions energy: -89.866
where: short stacking energy: -82.887
Base-Backbone interact. energy: 0.015
local terms energy: -138.596578
where:
bonds (distance) C4'-P energy: -30.109
bonds (distance) P-C4' energy: -37.220
flat angles C4'-P-C4' energy: -37.343
flat angles P-C4'-P energy: -27.077
tors. eta vs tors. theta energy: -6.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -846.700579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.700579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.700579 (E_RNA)
where:
Base-Base interactions energy: -580.665
where: short stacking energy: -258.065
Base-Backbone interact. energy: -0.209
local terms energy: -265.826834
where:
bonds (distance) C4'-P energy: -43.046
bonds (distance) P-C4' energy: -49.382
flat angles C4'-P-C4' energy: -54.843
flat angles P-C4'-P energy: -40.467
tors. eta vs tors. theta energy: -78.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -827.827195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.827195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.827195 (E_RNA)
where:
Base-Base interactions energy: -591.462
where: short stacking energy: -231.516
Base-Backbone interact. energy: -0.101
local terms energy: -236.264484
where:
bonds (distance) C4'-P energy: -39.702
bonds (distance) P-C4' energy: -41.994
flat angles C4'-P-C4' energy: -57.556
flat angles P-C4'-P energy: -35.880
tors. eta vs tors. theta energy: -61.132
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: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -801.686741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.686741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.686741 (E_RNA)
where:
Base-Base interactions energy: -560.419
where: short stacking energy: -224.196
Base-Backbone interact. energy: -0.655
local terms energy: -240.612633
where:
bonds (distance) C4'-P energy: -43.108
bonds (distance) P-C4' energy: -47.666
flat angles C4'-P-C4' energy: -50.197
flat angles P-C4'-P energy: -36.680
tors. eta vs tors. theta energy: -62.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -735.768891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.768891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.768891 (E_RNA)
where:
Base-Base interactions energy: -509.598
where: short stacking energy: -224.242
Base-Backbone interact. energy: -0.122
local terms energy: -226.048863
where:
bonds (distance) C4'-P energy: -42.443
bonds (distance) P-C4' energy: -51.210
flat angles C4'-P-C4' energy: -43.858
flat angles P-C4'-P energy: -29.315
tors. eta vs tors. theta energy: -59.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -677.904394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.904394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.904394 (E_RNA)
where:
Base-Base interactions energy: -457.509
where: short stacking energy: -195.292
Base-Backbone interact. energy: -2.171
local terms energy: -218.224337
where:
bonds (distance) C4'-P energy: -42.361
bonds (distance) P-C4' energy: -44.777
flat angles C4'-P-C4' energy: -51.273
flat angles P-C4'-P energy: -29.222
tors. eta vs tors. theta energy: -50.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -688.605479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.605479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.605479 (E_RNA)
where:
Base-Base interactions energy: -461.273
where: short stacking energy: -213.955
Base-Backbone interact. energy: 0.410
local terms energy: -227.741589
where:
bonds (distance) C4'-P energy: -38.156
bonds (distance) P-C4' energy: -46.087
flat angles C4'-P-C4' energy: -45.921
flat angles P-C4'-P energy: -39.439
tors. eta vs tors. theta energy: -58.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -654.905273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.905273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.905273 (E_RNA)
where:
Base-Base interactions energy: -452.335
where: short stacking energy: -197.600
Base-Backbone interact. energy: 2.894
local terms energy: -205.464386
where:
bonds (distance) C4'-P energy: -32.630
bonds (distance) P-C4' energy: -40.136
flat angles C4'-P-C4' energy: -42.892
flat angles P-C4'-P energy: -36.886
tors. eta vs tors. theta energy: -52.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -543.948664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.948664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.948664 (E_RNA)
where:
Base-Base interactions energy: -352.487
where: short stacking energy: -160.701
Base-Backbone interact. energy: -0.650
local terms energy: -190.811921
where:
bonds (distance) C4'-P energy: -44.170
bonds (distance) P-C4' energy: -39.606
flat angles C4'-P-C4' energy: -45.759
flat angles P-C4'-P energy: -30.002
tors. eta vs tors. theta energy: -31.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -354.108355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.108355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.108355 (E_RNA)
where:
Base-Base interactions energy: -197.891
where: short stacking energy: -116.024
Base-Backbone interact. energy: 1.617
local terms energy: -157.834410
where:
bonds (distance) C4'-P energy: -38.690
bonds (distance) P-C4' energy: -42.447
flat angles C4'-P-C4' energy: -32.607
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -25.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -232.370836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.370836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.370836 (E_RNA)
where:
Base-Base interactions energy: -104.646
where: short stacking energy: -62.925
Base-Backbone interact. energy: -0.862
local terms energy: -126.862849
where:
bonds (distance) C4'-P energy: -37.971
bonds (distance) P-C4' energy: -28.882
flat angles C4'-P-C4' energy: -36.729
flat angles P-C4'-P energy: -25.181
tors. eta vs tors. theta energy: 1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -840.771285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.771285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.771285 (E_RNA)
where:
Base-Base interactions energy: -580.547
where: short stacking energy: -246.545
Base-Backbone interact. energy: 0.093
local terms energy: -260.317128
where:
bonds (distance) C4'-P energy: -51.187
bonds (distance) P-C4' energy: -46.213
flat angles C4'-P-C4' energy: -52.603
flat angles P-C4'-P energy: -40.967
tors. eta vs tors. theta energy: -69.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -839.479270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.479270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.479270 (E_RNA)
where:
Base-Base interactions energy: -587.506
where: short stacking energy: -255.334
Base-Backbone interact. energy: 1.304
local terms energy: -253.276385
where:
bonds (distance) C4'-P energy: -45.221
bonds (distance) P-C4' energy: -44.171
flat angles C4'-P-C4' energy: -51.445
flat angles P-C4'-P energy: -37.142
tors. eta vs tors. theta energy: -75.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -771.155525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.155525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.155525 (E_RNA)
where:
Base-Base interactions energy: -530.189
where: short stacking energy: -223.355
Base-Backbone interact. energy: -1.633
local terms energy: -239.333186
where:
bonds (distance) C4'-P energy: -43.687
bonds (distance) P-C4' energy: -46.272
flat angles C4'-P-C4' energy: -51.124
flat angles P-C4'-P energy: -35.504
tors. eta vs tors. theta energy: -62.747
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: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -726.859801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.859801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.859801 (E_RNA)
where:
Base-Base interactions energy: -488.158
where: short stacking energy: -213.197
Base-Backbone interact. energy: -1.785
local terms energy: -236.917320
where:
bonds (distance) C4'-P energy: -41.385
bonds (distance) P-C4' energy: -46.472
flat angles C4'-P-C4' energy: -53.791
flat angles P-C4'-P energy: -34.387
tors. eta vs tors. theta energy: -60.882
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: 4
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -709.678174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.678174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.678174 (E_RNA)
where:
Base-Base interactions energy: -484.659
where: short stacking energy: -204.905
Base-Backbone interact. energy: 0.683
local terms energy: -225.702023
where:
bonds (distance) C4'-P energy: -52.312
bonds (distance) P-C4' energy: -38.837
flat angles C4'-P-C4' energy: -48.879
flat angles P-C4'-P energy: -29.410
tors. eta vs tors. theta energy: -56.262
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: 1
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -670.834151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.834151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.834151 (E_RNA)
where:
Base-Base interactions energy: -467.773
where: short stacking energy: -192.736
Base-Backbone interact. energy: -0.290
local terms energy: -202.771286
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -48.990
flat angles C4'-P-C4' energy: -46.367
flat angles P-C4'-P energy: -28.620
tors. eta vs tors. theta energy: -53.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -654.130830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.130830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.130830 (E_RNA)
where:
Base-Base interactions energy: -440.855
where: short stacking energy: -201.016
Base-Backbone interact. energy: 1.925
local terms energy: -215.200532
where:
bonds (distance) C4'-P energy: -46.987
bonds (distance) P-C4' energy: -39.688
flat angles C4'-P-C4' energy: -47.317
flat angles P-C4'-P energy: -30.983
tors. eta vs tors. theta energy: -50.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -540.127382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.127382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.127382 (E_RNA)
where:
Base-Base interactions energy: -352.178
where: short stacking energy: -159.789
Base-Backbone interact. energy: -0.190
local terms energy: -187.759066
where:
bonds (distance) C4'-P energy: -36.476
bonds (distance) P-C4' energy: -51.942
flat angles C4'-P-C4' energy: -35.180
flat angles P-C4'-P energy: -29.581
tors. eta vs tors. theta energy: -34.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -329.409233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.409233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.409233 (E_RNA)
where:
Base-Base interactions energy: -178.475
where: short stacking energy: -97.895
Base-Backbone interact. energy: -2.003
local terms energy: -148.931239
where:
bonds (distance) C4'-P energy: -39.688
bonds (distance) P-C4' energy: -42.233
flat angles C4'-P-C4' energy: -40.290
flat angles P-C4'-P energy: -23.186
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -191.920079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.920079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.920079 (E_RNA)
where:
Base-Base interactions energy: -88.007
where: short stacking energy: -72.513
Base-Backbone interact. energy: 0.187
local terms energy: -104.099821
where:
bonds (distance) C4'-P energy: -29.609
bonds (distance) P-C4' energy: -22.321
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -23.305
tors. eta vs tors. theta energy: 0.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -839.265276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.265276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.265276 (E_RNA)
where:
Base-Base interactions energy: -597.634
where: short stacking energy: -246.867
Base-Backbone interact. energy: -0.630
local terms energy: -241.001793
where:
bonds (distance) C4'-P energy: -38.798
bonds (distance) P-C4' energy: -48.477
flat angles C4'-P-C4' energy: -50.735
flat angles P-C4'-P energy: -34.014
tors. eta vs tors. theta energy: -68.977
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: 5
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -828.296418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.296418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.296418 (E_RNA)
where:
Base-Base interactions energy: -587.202
where: short stacking energy: -273.066
Base-Backbone interact. energy: -0.057
local terms energy: -241.037235
where:
bonds (distance) C4'-P energy: -36.354
bonds (distance) P-C4' energy: -41.163
flat angles C4'-P-C4' energy: -50.315
flat angles P-C4'-P energy: -36.801
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: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -779.272858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.272858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.272858 (E_RNA)
where:
Base-Base interactions energy: -538.149
where: short stacking energy: -225.879
Base-Backbone interact. energy: -0.502
local terms energy: -240.622284
where:
bonds (distance) C4'-P energy: -49.814
bonds (distance) P-C4' energy: -43.939
flat angles C4'-P-C4' energy: -44.385
flat angles P-C4'-P energy: -40.659
tors. eta vs tors. theta energy: -61.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -744.732774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.732774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.732774 (E_RNA)
where:
Base-Base interactions energy: -512.323
where: short stacking energy: -226.999
Base-Backbone interact. energy: -1.213
local terms energy: -231.196802
where:
bonds (distance) C4'-P energy: -38.041
bonds (distance) P-C4' energy: -40.291
flat angles C4'-P-C4' energy: -54.658
flat angles P-C4'-P energy: -33.111
tors. eta vs tors. theta energy: -65.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -722.955755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.955755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.955755 (E_RNA)
where:
Base-Base interactions energy: -485.499
where: short stacking energy: -212.778
Base-Backbone interact. energy: -1.315
local terms energy: -236.142113
where:
bonds (distance) C4'-P energy: -45.515
bonds (distance) P-C4' energy: -46.874
flat angles C4'-P-C4' energy: -48.707
flat angles P-C4'-P energy: -35.926
tors. eta vs tors. theta energy: -59.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -670.396083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.396083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.396083 (E_RNA)
where:
Base-Base interactions energy: -458.854
where: short stacking energy: -195.057
Base-Backbone interact. energy: -0.147
local terms energy: -211.394280
where:
bonds (distance) C4'-P energy: -38.386
bonds (distance) P-C4' energy: -40.948
flat angles C4'-P-C4' energy: -48.775
flat angles P-C4'-P energy: -32.925
tors. eta vs tors. theta energy: -50.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -640.432012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.432012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.432012 (E_RNA)
where:
Base-Base interactions energy: -434.101
where: short stacking energy: -193.190
Base-Backbone interact. energy: -1.260
local terms energy: -205.071470
where:
bonds (distance) C4'-P energy: -37.613
bonds (distance) P-C4' energy: -45.100
flat angles C4'-P-C4' energy: -40.574
flat angles P-C4'-P energy: -26.514
tors. eta vs tors. theta energy: -55.271
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: 279
Temperature: 1.250000
Total energy: -537.921479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.921479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.921479 (E_RNA)
where:
Base-Base interactions energy: -344.553
where: short stacking energy: -150.380
Base-Backbone interact. energy: -0.427
local terms energy: -192.941119
where:
bonds (distance) C4'-P energy: -43.169
bonds (distance) P-C4' energy: -43.808
flat angles C4'-P-C4' energy: -37.777
flat angles P-C4'-P energy: -31.674
tors. eta vs tors. theta energy: -36.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -343.537163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.537163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.537163 (E_RNA)
where:
Base-Base interactions energy: -190.454
where: short stacking energy: -101.381
Base-Backbone interact. energy: 2.297
local terms energy: -155.380229
where:
bonds (distance) C4'-P energy: -33.440
bonds (distance) P-C4' energy: -42.450
flat angles C4'-P-C4' energy: -31.325
flat angles P-C4'-P energy: -32.547
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -209.237466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.237466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.237466 (E_RNA)
where:
Base-Base interactions energy: -80.948
where: short stacking energy: -68.336
Base-Backbone interact. energy: -0.259
local terms energy: -128.030797
where:
bonds (distance) C4'-P energy: -40.242
bonds (distance) P-C4' energy: -43.832
flat angles C4'-P-C4' energy: -32.864
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: 7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -828.453386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.453386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.453386 (E_RNA)
where:
Base-Base interactions energy: -598.227
where: short stacking energy: -253.578
Base-Backbone interact. energy: -1.341
local terms energy: -228.884970
where:
bonds (distance) C4'-P energy: -47.737
bonds (distance) P-C4' energy: -32.406
flat angles C4'-P-C4' energy: -49.385
flat angles P-C4'-P energy: -31.330
tors. eta vs tors. theta energy: -68.027
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: 5
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -840.169140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.169140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.169140 (E_RNA)
where:
Base-Base interactions energy: -571.300
where: short stacking energy: -250.620
Base-Backbone interact. energy: -0.610
local terms energy: -268.259202
where:
bonds (distance) C4'-P energy: -45.527
bonds (distance) P-C4' energy: -50.286
flat angles C4'-P-C4' energy: -53.306
flat angles P-C4'-P energy: -36.069
tors. eta vs tors. theta energy: -83.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -801.864164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.864164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.864164 (E_RNA)
where:
Base-Base interactions energy: -560.911
where: short stacking energy: -228.451
Base-Backbone interact. energy: -2.723
local terms energy: -238.229946
where:
bonds (distance) C4'-P energy: -37.947
bonds (distance) P-C4' energy: -51.365
flat angles C4'-P-C4' energy: -51.358
flat angles P-C4'-P energy: -33.277
tors. eta vs tors. theta energy: -64.283
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: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -738.061722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.061722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.061722 (E_RNA)
where:
Base-Base interactions energy: -495.179
where: short stacking energy: -219.112
Base-Backbone interact. energy: -1.809
local terms energy: -241.073824
where:
bonds (distance) C4'-P energy: -51.169
bonds (distance) P-C4' energy: -42.257
flat angles C4'-P-C4' energy: -48.865
flat angles P-C4'-P energy: -33.512
tors. eta vs tors. theta energy: -65.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -729.078248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.078248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.078248 (E_RNA)
where:
Base-Base interactions energy: -498.098
where: short stacking energy: -215.362
Base-Backbone interact. energy: -1.520
local terms energy: -229.460097
where:
bonds (distance) C4'-P energy: -43.776
bonds (distance) P-C4' energy: -45.826
flat angles C4'-P-C4' energy: -47.676
flat angles P-C4'-P energy: -31.306
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: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -612.137366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.137366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.137366 (E_RNA)
where:
Base-Base interactions energy: -414.047
where: short stacking energy: -183.085
Base-Backbone interact. energy: -0.528
local terms energy: -197.562648
where:
bonds (distance) C4'-P energy: -32.004
bonds (distance) P-C4' energy: -45.481
flat angles C4'-P-C4' energy: -46.135
flat angles P-C4'-P energy: -28.418
tors. eta vs tors. theta energy: -45.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -637.725454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.725454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.725454 (E_RNA)
where:
Base-Base interactions energy: -440.859
where: short stacking energy: -204.865
Base-Backbone interact. energy: -0.617
local terms energy: -196.249392
where:
bonds (distance) C4'-P energy: -27.405
bonds (distance) P-C4' energy: -46.353
flat angles C4'-P-C4' energy: -44.548
flat angles P-C4'-P energy: -23.838
tors. eta vs tors. theta energy: -54.105
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: 2
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -541.637617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.637617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.637617 (E_RNA)
where:
Base-Base interactions energy: -341.916
where: short stacking energy: -168.647
Base-Backbone interact. energy: -0.318
local terms energy: -199.403097
where:
bonds (distance) C4'-P energy: -38.928
bonds (distance) P-C4' energy: -35.352
flat angles C4'-P-C4' energy: -44.190
flat angles P-C4'-P energy: -31.438
tors. eta vs tors. theta energy: -49.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -359.275713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.275713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.275713 (E_RNA)
where:
Base-Base interactions energy: -203.831
where: short stacking energy: -108.655
Base-Backbone interact. energy: 0.824
local terms energy: -156.268737
where:
bonds (distance) C4'-P energy: -34.196
bonds (distance) P-C4' energy: -37.800
flat angles C4'-P-C4' energy: -39.091
flat angles P-C4'-P energy: -28.995
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -225.701196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.701196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.701196 (E_RNA)
where:
Base-Base interactions energy: -88.477
where: short stacking energy: -70.861
Base-Backbone interact. energy: 0.237
local terms energy: -137.461007
where:
bonds (distance) C4'-P energy: -38.209
bonds (distance) P-C4' energy: -31.239
flat angles C4'-P-C4' energy: -46.808
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: -2.461
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: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -846.638950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.638950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.638950 (E_RNA)
where:
Base-Base interactions energy: -600.908
where: short stacking energy: -246.836
Base-Backbone interact. energy: -1.992
local terms energy: -243.738537
where:
bonds (distance) C4'-P energy: -38.181
bonds (distance) P-C4' energy: -52.493
flat angles C4'-P-C4' energy: -47.951
flat angles P-C4'-P energy: -36.609
tors. eta vs tors. theta energy: -68.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -843.402136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.402136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.402136 (E_RNA)
where:
Base-Base interactions energy: -590.925
where: short stacking energy: -240.216
Base-Backbone interact. energy: -0.547
local terms energy: -251.930332
where:
bonds (distance) C4'-P energy: -45.631
bonds (distance) P-C4' energy: -38.159
flat angles C4'-P-C4' energy: -49.964
flat angles P-C4'-P energy: -38.819
tors. eta vs tors. theta energy: -79.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -799.926108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.926108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.926108 (E_RNA)
where:
Base-Base interactions energy: -556.131
where: short stacking energy: -232.244
Base-Backbone interact. energy: -1.942
local terms energy: -241.853350
where:
bonds (distance) C4'-P energy: -40.650
bonds (distance) P-C4' energy: -53.201
flat angles C4'-P-C4' energy: -55.266
flat angles P-C4'-P energy: -25.786
tors. eta vs tors. theta energy: -66.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -761.329666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.329666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.329666 (E_RNA)
where:
Base-Base interactions energy: -536.172
where: short stacking energy: -226.350
Base-Backbone interact. energy: 1.899
local terms energy: -227.056845
where:
bonds (distance) C4'-P energy: -37.465
bonds (distance) P-C4' energy: -45.688
flat angles C4'-P-C4' energy: -41.827
flat angles P-C4'-P energy: -35.862
tors. eta vs tors. theta energy: -66.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -717.093348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.093348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.093348 (E_RNA)
where:
Base-Base interactions energy: -493.771
where: short stacking energy: -216.166
Base-Backbone interact. energy: -0.756
local terms energy: -222.566162
where:
bonds (distance) C4'-P energy: -40.161
bonds (distance) P-C4' energy: -41.663
flat angles C4'-P-C4' energy: -45.086
flat angles P-C4'-P energy: -33.740
tors. eta vs tors. theta energy: -61.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -639.765605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.765605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.765605 (E_RNA)
where:
Base-Base interactions energy: -437.010
where: short stacking energy: -195.365
Base-Backbone interact. energy: -0.805
local terms energy: -201.950469
where:
bonds (distance) C4'-P energy: -36.686
bonds (distance) P-C4' energy: -50.211
flat angles C4'-P-C4' energy: -42.869
flat angles P-C4'-P energy: -25.541
tors. eta vs tors. theta energy: -46.643
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: 7, replica: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -604.364414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.364414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.364414 (E_RNA)
where:
Base-Base interactions energy: -412.740
where: short stacking energy: -185.055
Base-Backbone interact. energy: -0.677
local terms energy: -190.947281
where:
bonds (distance) C4'-P energy: -42.364
bonds (distance) P-C4' energy: -35.177
flat angles C4'-P-C4' energy: -41.984
flat angles P-C4'-P energy: -25.307
tors. eta vs tors. theta energy: -46.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -546.287957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.287957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.287957 (E_RNA)
where:
Base-Base interactions energy: -359.461
where: short stacking energy: -156.706
Base-Backbone interact. energy: -1.269
local terms energy: -185.558266
where:
bonds (distance) C4'-P energy: -39.915
bonds (distance) P-C4' energy: -42.895
flat angles C4'-P-C4' energy: -35.658
flat angles P-C4'-P energy: -23.353
tors. eta vs tors. theta energy: -43.736
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: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -314.691668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.691668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.691668 (E_RNA)
where:
Base-Base interactions energy: -174.318
where: short stacking energy: -83.531
Base-Backbone interact. energy: -0.926
local terms energy: -139.447228
where:
bonds (distance) C4'-P energy: -42.391
bonds (distance) P-C4' energy: -48.107
flat angles C4'-P-C4' energy: -31.354
flat angles P-C4'-P energy: -18.791
tors. eta vs tors. theta energy: 1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -196.476648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.476648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.476648 (E_RNA)
where:
Base-Base interactions energy: -82.539
where: short stacking energy: -58.936
Base-Backbone interact. energy: -0.930
local terms energy: -113.008233
where:
bonds (distance) C4'-P energy: -29.799
bonds (distance) P-C4' energy: -46.022
flat angles C4'-P-C4' energy: -26.858
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: 6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -838.789741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.789741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.789741 (E_RNA)
where:
Base-Base interactions energy: -591.670
where: short stacking energy: -248.607
Base-Backbone interact. energy: -0.068
local terms energy: -247.052479
where:
bonds (distance) C4'-P energy: -49.839
bonds (distance) P-C4' energy: -45.088
flat angles C4'-P-C4' energy: -50.672
flat angles P-C4'-P energy: -32.110
tors. eta vs tors. theta energy: -69.345
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: 5
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -837.172482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.172482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.172482 (E_RNA)
where:
Base-Base interactions energy: -582.587
where: short stacking energy: -245.846
Base-Backbone interact. energy: -0.354
local terms energy: -254.231179
where:
bonds (distance) C4'-P energy: -45.065
bonds (distance) P-C4' energy: -48.871
flat angles C4'-P-C4' energy: -51.554
flat angles P-C4'-P energy: -32.560
tors. eta vs tors. theta energy: -76.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -758.541520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.541520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.541520 (E_RNA)
where:
Base-Base interactions energy: -544.181
where: short stacking energy: -234.879
Base-Backbone interact. energy: -1.152
local terms energy: -213.208108
where:
bonds (distance) C4'-P energy: -28.312
bonds (distance) P-C4' energy: -41.877
flat angles C4'-P-C4' energy: -44.425
flat angles P-C4'-P energy: -33.744
tors. eta vs tors. theta energy: -64.850
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: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -772.617676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.617676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.617676 (E_RNA)
where:
Base-Base interactions energy: -546.226
where: short stacking energy: -228.921
Base-Backbone interact. energy: -0.879
local terms energy: -225.512670
where:
bonds (distance) C4'-P energy: -47.411
bonds (distance) P-C4' energy: -38.968
flat angles C4'-P-C4' energy: -46.824
flat angles P-C4'-P energy: -35.414
tors. eta vs tors. theta energy: -56.896
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: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -700.320001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.320001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.320001 (E_RNA)
where:
Base-Base interactions energy: -493.704
where: short stacking energy: -201.018
Base-Backbone interact. energy: -1.600
local terms energy: -205.016124
where:
bonds (distance) C4'-P energy: -45.820
bonds (distance) P-C4' energy: -29.528
flat angles C4'-P-C4' energy: -43.568
flat angles P-C4'-P energy: -31.445
tors. eta vs tors. theta energy: -54.655
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: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -670.967625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.967625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.967625 (E_RNA)
where:
Base-Base interactions energy: -472.413
where: short stacking energy: -218.771
Base-Backbone interact. energy: 0.405
local terms energy: -198.959775
where:
bonds (distance) C4'-P energy: -28.931
bonds (distance) P-C4' energy: -41.557
flat angles C4'-P-C4' energy: -45.879
flat angles P-C4'-P energy: -30.953
tors. eta vs tors. theta energy: -51.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -625.368377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.368377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.368377 (E_RNA)
where:
Base-Base interactions energy: -430.660
where: short stacking energy: -183.866
Base-Backbone interact. energy: -0.114
local terms energy: -194.594253
where:
bonds (distance) C4'-P energy: -44.454
bonds (distance) P-C4' energy: -36.743
flat angles C4'-P-C4' energy: -38.804
flat angles P-C4'-P energy: -29.302
tors. eta vs tors. theta energy: -45.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -479.275869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.275869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.275869 (E_RNA)
where:
Base-Base interactions energy: -333.517
where: short stacking energy: -145.837
Base-Backbone interact. energy: 0.481
local terms energy: -146.240410
where:
bonds (distance) C4'-P energy: -30.881
bonds (distance) P-C4' energy: -32.269
flat angles C4'-P-C4' energy: -41.339
flat angles P-C4'-P energy: -21.450
tors. eta vs tors. theta energy: -20.301
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: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -350.777457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.777457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.777457 (E_RNA)
where:
Base-Base interactions energy: -216.284
where: short stacking energy: -84.640
Base-Backbone interact. energy: -1.170
local terms energy: -133.322998
where:
bonds (distance) C4'-P energy: -33.715
bonds (distance) P-C4' energy: -30.986
flat angles C4'-P-C4' energy: -38.461
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -9.249
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: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -214.859498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.859498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.859498 (E_RNA)
where:
Base-Base interactions energy: -80.958
where: short stacking energy: -63.882
Base-Backbone interact. energy: -0.592
local terms energy: -133.309630
where:
bonds (distance) C4'-P energy: -34.591
bonds (distance) P-C4' energy: -45.482
flat angles C4'-P-C4' energy: -29.158
flat angles P-C4'-P energy: -24.835
tors. eta vs tors. theta energy: 0.756
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: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -835.129318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.129318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.129318 (E_RNA)
where:
Base-Base interactions energy: -583.132
where: short stacking energy: -237.345
Base-Backbone interact. energy: -0.617
local terms energy: -251.379913
where:
bonds (distance) C4'-P energy: -47.600
bonds (distance) P-C4' energy: -49.791
flat angles C4'-P-C4' energy: -51.068
flat angles P-C4'-P energy: -35.075
tors. eta vs tors. theta energy: -67.846
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: 5
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -850.902080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.902080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.902080 (E_RNA)
where:
Base-Base interactions energy: -585.983
where: short stacking energy: -256.461
Base-Backbone interact. energy: 0.150
local terms energy: -265.069390
where:
bonds (distance) C4'-P energy: -45.382
bonds (distance) P-C4' energy: -44.469
flat angles C4'-P-C4' energy: -50.141
flat angles P-C4'-P energy: -44.377
tors. eta vs tors. theta energy: -80.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -767.223993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.223993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.223993 (E_RNA)
where:
Base-Base interactions energy: -519.063
where: short stacking energy: -234.092
Base-Backbone interact. energy: 1.673
local terms energy: -249.834294
where:
bonds (distance) C4'-P energy: -47.117
bonds (distance) P-C4' energy: -40.375
flat angles C4'-P-C4' energy: -53.942
flat angles P-C4'-P energy: -39.943
tors. eta vs tors. theta energy: -68.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -742.806355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.806355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.806355 (E_RNA)
where:
Base-Base interactions energy: -521.068
where: short stacking energy: -200.052
Base-Backbone interact. energy: 0.875
local terms energy: -222.614253
where:
bonds (distance) C4'-P energy: -48.845
bonds (distance) P-C4' energy: -44.633
flat angles C4'-P-C4' energy: -49.402
flat angles P-C4'-P energy: -24.898
tors. eta vs tors. theta energy: -54.837
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: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -716.226837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.226837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.226837 (E_RNA)
where:
Base-Base interactions energy: -501.242
where: short stacking energy: -221.186
Base-Backbone interact. energy: 1.401
local terms energy: -216.386382
where:
bonds (distance) C4'-P energy: -40.599
bonds (distance) P-C4' energy: -40.052
flat angles C4'-P-C4' energy: -41.277
flat angles P-C4'-P energy: -31.705
tors. eta vs tors. theta energy: -62.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -655.226248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.226248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.226248 (E_RNA)
where:
Base-Base interactions energy: -444.189
where: short stacking energy: -203.943
Base-Backbone interact. energy: -0.399
local terms energy: -210.637926
where:
bonds (distance) C4'-P energy: -34.366
bonds (distance) P-C4' energy: -42.288
flat angles C4'-P-C4' energy: -46.275
flat angles P-C4'-P energy: -30.854
tors. eta vs tors. theta energy: -56.855
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: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -635.949493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.949493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.949493 (E_RNA)
where:
Base-Base interactions energy: -441.056
where: short stacking energy: -195.186
Base-Backbone interact. energy: -1.099
local terms energy: -193.793782
where:
bonds (distance) C4'-P energy: -38.691
bonds (distance) P-C4' energy: -42.155
flat angles C4'-P-C4' energy: -51.354
flat angles P-C4'-P energy: -19.620
tors. eta vs tors. theta energy: -41.974
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: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -525.449077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.449077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.449077 (E_RNA)
where:
Base-Base interactions energy: -335.981
where: short stacking energy: -166.030
Base-Backbone interact. energy: -1.715
local terms energy: -187.753063
where:
bonds (distance) C4'-P energy: -45.992
bonds (distance) P-C4' energy: -36.084
flat angles C4'-P-C4' energy: -47.410
flat angles P-C4'-P energy: -20.727
tors. eta vs tors. theta energy: -37.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -389.889536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.889536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.889536 (E_RNA)
where:
Base-Base interactions energy: -228.406
where: short stacking energy: -107.320
Base-Backbone interact. energy: -0.980
local terms energy: -160.503248
where:
bonds (distance) C4'-P energy: -32.254
bonds (distance) P-C4' energy: -38.320
flat angles C4'-P-C4' energy: -47.922
flat angles P-C4'-P energy: -21.940
tors. eta vs tors. theta energy: -20.067
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: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -214.116182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.116182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.116182 (E_RNA)
where:
Base-Base interactions energy: -66.760
where: short stacking energy: -56.946
Base-Backbone interact. energy: -0.684
local terms energy: -146.672656
where:
bonds (distance) C4'-P energy: -38.954
bonds (distance) P-C4' energy: -43.818
flat angles C4'-P-C4' energy: -39.166
flat angles P-C4'-P energy: -27.595
tors. eta vs tors. theta energy: 2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -836.094832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.094832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.094832 (E_RNA)
where:
Base-Base interactions energy: -600.866
where: short stacking energy: -242.097
Base-Backbone interact. energy: 0.482
local terms energy: -235.710347
where:
bonds (distance) C4'-P energy: -45.297
bonds (distance) P-C4' energy: -43.257
flat angles C4'-P-C4' energy: -48.130
flat angles P-C4'-P energy: -34.069
tors. eta vs tors. theta energy: -64.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -833.753425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.753425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.753425 (E_RNA)
where:
Base-Base interactions energy: -576.019
where: short stacking energy: -260.834
Base-Backbone interact. energy: -0.767
local terms energy: -256.967341
where:
bonds (distance) C4'-P energy: -43.784
bonds (distance) P-C4' energy: -49.431
flat angles C4'-P-C4' energy: -55.080
flat angles P-C4'-P energy: -32.918
tors. eta vs tors. theta energy: -75.755
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: 7
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -750.524211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.524211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.524211 (E_RNA)
where:
Base-Base interactions energy: -533.951
where: short stacking energy: -216.988
Base-Backbone interact. energy: -2.147
local terms energy: -214.425561
where:
bonds (distance) C4'-P energy: -38.417
bonds (distance) P-C4' energy: -37.914
flat angles C4'-P-C4' energy: -47.477
flat angles P-C4'-P energy: -29.561
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: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -764.733265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.733265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.733265 (E_RNA)
where:
Base-Base interactions energy: -518.493
where: short stacking energy: -223.685
Base-Backbone interact. energy: 1.904
local terms energy: -248.143631
where:
bonds (distance) C4'-P energy: -46.904
bonds (distance) P-C4' energy: -50.578
flat angles C4'-P-C4' energy: -53.423
flat angles P-C4'-P energy: -35.591
tors. eta vs tors. theta energy: -61.647
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: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -719.958827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.958827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.958827 (E_RNA)
where:
Base-Base interactions energy: -502.547
where: short stacking energy: -225.430
Base-Backbone interact. energy: -1.267
local terms energy: -216.144326
where:
bonds (distance) C4'-P energy: -39.010
bonds (distance) P-C4' energy: -34.525
flat angles C4'-P-C4' energy: -45.342
flat angles P-C4'-P energy: -34.840
tors. eta vs tors. theta energy: -62.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -652.149022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.149022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.149022 (E_RNA)
where:
Base-Base interactions energy: -446.786
where: short stacking energy: -205.384
Base-Backbone interact. energy: -0.666
local terms energy: -204.696648
where:
bonds (distance) C4'-P energy: -46.101
bonds (distance) P-C4' energy: -36.235
flat angles C4'-P-C4' energy: -44.553
flat angles P-C4'-P energy: -23.131
tors. eta vs tors. theta energy: -54.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -614.920521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.920521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.920521 (E_RNA)
where:
Base-Base interactions energy: -436.121
where: short stacking energy: -170.658
Base-Backbone interact. energy: -0.764
local terms energy: -178.036222
where:
bonds (distance) C4'-P energy: -38.481
bonds (distance) P-C4' energy: -35.302
flat angles C4'-P-C4' energy: -47.191
flat angles P-C4'-P energy: -23.848
tors. eta vs tors. theta energy: -33.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -519.950379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.950379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.950379 (E_RNA)
where:
Base-Base interactions energy: -337.313
where: short stacking energy: -154.561
Base-Backbone interact. energy: -1.078
local terms energy: -181.559903
where:
bonds (distance) C4'-P energy: -44.721
bonds (distance) P-C4' energy: -38.006
flat angles C4'-P-C4' energy: -37.852
flat angles P-C4'-P energy: -26.412
tors. eta vs tors. theta energy: -34.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -357.397630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.397630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.397630 (E_RNA)
where:
Base-Base interactions energy: -194.023
where: short stacking energy: -89.034
Base-Backbone interact. energy: -0.823
local terms energy: -162.552064
where:
bonds (distance) C4'-P energy: -30.454
bonds (distance) P-C4' energy: -44.232
flat angles C4'-P-C4' energy: -44.396
flat angles P-C4'-P energy: -24.080
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -216.963207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.963207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.963207 (E_RNA)
where:
Base-Base interactions energy: -88.349
where: short stacking energy: -63.924
Base-Backbone interact. energy: 2.675
local terms energy: -131.288775
where:
bonds (distance) C4'-P energy: -37.784
bonds (distance) P-C4' energy: -46.106
flat angles C4'-P-C4' energy: -39.820
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: 1.156
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: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -828.606662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.606662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.606662 (E_RNA)
where:
Base-Base interactions energy: -577.467
where: short stacking energy: -235.872
Base-Backbone interact. energy: 1.702
local terms energy: -252.841389
where:
bonds (distance) C4'-P energy: -38.698
bonds (distance) P-C4' energy: -48.639
flat angles C4'-P-C4' energy: -55.693
flat angles P-C4'-P energy: -44.252
tors. eta vs tors. theta energy: -65.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -825.757138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.757138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.757138 (E_RNA)
where:
Base-Base interactions energy: -560.001
where: short stacking energy: -261.372
Base-Backbone interact. energy: 0.022
local terms energy: -265.777951
where:
bonds (distance) C4'-P energy: -50.050
bonds (distance) P-C4' energy: -46.372
flat angles C4'-P-C4' energy: -47.290
flat angles P-C4'-P energy: -35.451
tors. eta vs tors. theta energy: -86.615
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: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -759.556337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.556337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.556337 (E_RNA)
where:
Base-Base interactions energy: -528.725
where: short stacking energy: -203.453
Base-Backbone interact. energy: 0.730
local terms energy: -231.561374
where:
bonds (distance) C4'-P energy: -46.695
bonds (distance) P-C4' energy: -44.257
flat angles C4'-P-C4' energy: -53.807
flat angles P-C4'-P energy: -32.461
tors. eta vs tors. theta energy: -54.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -767.767051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.767051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.767051 (E_RNA)
where:
Base-Base interactions energy: -534.221
where: short stacking energy: -243.049
Base-Backbone interact. energy: 4.286
local terms energy: -237.831849
where:
bonds (distance) C4'-P energy: -36.382
bonds (distance) P-C4' energy: -51.757
flat angles C4'-P-C4' energy: -52.544
flat angles P-C4'-P energy: -30.100
tors. eta vs tors. theta energy: -67.049
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: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -689.339614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.339614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.339614 (E_RNA)
where:
Base-Base interactions energy: -472.906
where: short stacking energy: -187.317
Base-Backbone interact. energy: -0.242
local terms energy: -216.191705
where:
bonds (distance) C4'-P energy: -43.538
bonds (distance) P-C4' energy: -35.240
flat angles C4'-P-C4' energy: -47.697
flat angles P-C4'-P energy: -34.733
tors. eta vs tors. theta energy: -54.984
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: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -660.010066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.010066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.010066 (E_RNA)
where:
Base-Base interactions energy: -456.682
where: short stacking energy: -193.540
Base-Backbone interact. energy: -0.913
local terms energy: -202.414474
where:
bonds (distance) C4'-P energy: -34.092
bonds (distance) P-C4' energy: -44.817
flat angles C4'-P-C4' energy: -44.694
flat angles P-C4'-P energy: -18.642
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: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -621.270159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.270159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.270159 (E_RNA)
where:
Base-Base interactions energy: -426.627
where: short stacking energy: -197.713
Base-Backbone interact. energy: -2.391
local terms energy: -192.252190
where:
bonds (distance) C4'-P energy: -30.008
bonds (distance) P-C4' energy: -48.316
flat angles C4'-P-C4' energy: -41.308
flat angles P-C4'-P energy: -25.898
tors. eta vs tors. theta energy: -46.721
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: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -512.935109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.935109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.935109 (E_RNA)
where:
Base-Base interactions energy: -341.740
where: short stacking energy: -158.876
Base-Backbone interact. energy: -0.366
local terms energy: -170.829676
where:
bonds (distance) C4'-P energy: -34.499
bonds (distance) P-C4' energy: -41.068
flat angles C4'-P-C4' energy: -44.926
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -34.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -373.445445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.445445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.445445 (E_RNA)
where:
Base-Base interactions energy: -214.596
where: short stacking energy: -115.814
Base-Backbone interact. energy: -0.356
local terms energy: -158.493545
where:
bonds (distance) C4'-P energy: -38.578
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -43.473
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -25.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -209.870066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.870066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.870066 (E_RNA)
where:
Base-Base interactions energy: -68.602
where: short stacking energy: -65.227
Base-Backbone interact. energy: 0.640
local terms energy: -141.908413
where:
bonds (distance) C4'-P energy: -40.715
bonds (distance) P-C4' energy: -49.709
flat angles C4'-P-C4' energy: -31.595
flat angles P-C4'-P energy: -19.825
tors. eta vs tors. theta energy: -0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -845.965093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.965093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.965093 (E_RNA)
where:
Base-Base interactions energy: -577.866
where: short stacking energy: -261.315
Base-Backbone interact. energy: -0.050
local terms energy: -268.048268
where:
bonds (distance) C4'-P energy: -48.139
bonds (distance) P-C4' energy: -46.892
flat angles C4'-P-C4' energy: -55.824
flat angles P-C4'-P energy: -40.566
tors. eta vs tors. theta energy: -76.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -822.077365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.077365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.077365 (E_RNA)
where:
Base-Base interactions energy: -582.312
where: short stacking energy: -230.954
Base-Backbone interact. energy: -2.184
local terms energy: -237.580906
where:
bonds (distance) C4'-P energy: -43.302
bonds (distance) P-C4' energy: -47.092
flat angles C4'-P-C4' energy: -53.059
flat angles P-C4'-P energy: -35.141
tors. eta vs tors. theta energy: -58.986
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: 3, replica: 4
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -759.242061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.242061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.242061 (E_RNA)
where:
Base-Base interactions energy: -525.444
where: short stacking energy: -224.132
Base-Backbone interact. energy: -0.711
local terms energy: -233.086731
where:
bonds (distance) C4'-P energy: -42.070
bonds (distance) P-C4' energy: -43.271
flat angles C4'-P-C4' energy: -53.681
flat angles P-C4'-P energy: -33.958
tors. eta vs tors. theta energy: -60.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -744.095664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.095664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.095664 (E_RNA)
where:
Base-Base interactions energy: -516.026
where: short stacking energy: -215.656
Base-Backbone interact. energy: -3.689
local terms energy: -224.379827
where:
bonds (distance) C4'-P energy: -46.689
bonds (distance) P-C4' energy: -44.385
flat angles C4'-P-C4' energy: -42.632
flat angles P-C4'-P energy: -29.925
tors. eta vs tors. theta energy: -60.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -698.700033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.700033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.700033 (E_RNA)
where:
Base-Base interactions energy: -478.573
where: short stacking energy: -206.509
Base-Backbone interact. energy: -1.941
local terms energy: -218.186647
where:
bonds (distance) C4'-P energy: -48.022
bonds (distance) P-C4' energy: -33.237
flat angles C4'-P-C4' energy: -41.413
flat angles P-C4'-P energy: -37.002
tors. eta vs tors. theta energy: -58.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -684.309789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.309789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.309789 (E_RNA)
where:
Base-Base interactions energy: -469.532
where: short stacking energy: -203.567
Base-Backbone interact. energy: -0.698
local terms energy: -214.080678
where:
bonds (distance) C4'-P energy: -43.061
bonds (distance) P-C4' energy: -41.040
flat angles C4'-P-C4' energy: -39.728
flat angles P-C4'-P energy: -35.826
tors. eta vs tors. theta energy: -54.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -670.035897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.035897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.035897 (E_RNA)
where:
Base-Base interactions energy: -441.098
where: short stacking energy: -208.067
Base-Backbone interact. energy: -0.832
local terms energy: -228.105912
where:
bonds (distance) C4'-P energy: -46.673
bonds (distance) P-C4' energy: -39.907
flat angles C4'-P-C4' energy: -48.699
flat angles P-C4'-P energy: -36.960
tors. eta vs tors. theta energy: -55.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -512.075303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.075303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.075303 (E_RNA)
where:
Base-Base interactions energy: -337.558
where: short stacking energy: -167.209
Base-Backbone interact. energy: -2.547
local terms energy: -171.970098
where:
bonds (distance) C4'-P energy: -42.767
bonds (distance) P-C4' energy: -47.365
flat angles C4'-P-C4' energy: -41.043
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -26.460
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: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -325.122254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.122254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.122254 (E_RNA)
where:
Base-Base interactions energy: -179.631
where: short stacking energy: -96.893
Base-Backbone interact. energy: -1.518
local terms energy: -143.973054
where:
bonds (distance) C4'-P energy: -30.493
bonds (distance) P-C4' energy: -44.001
flat angles C4'-P-C4' energy: -31.259
flat angles P-C4'-P energy: -27.806
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -222.471492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.471492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.471492 (E_RNA)
where:
Base-Base interactions energy: -92.437
where: short stacking energy: -83.852
Base-Backbone interact. energy: 0.383
local terms energy: -130.417273
where:
bonds (distance) C4'-P energy: -27.691
bonds (distance) P-C4' energy: -34.327
flat angles C4'-P-C4' energy: -38.707
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: -5.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -852.030684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.030684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.030684 (E_RNA)
where:
Base-Base interactions energy: -593.425
where: short stacking energy: -264.274
Base-Backbone interact. energy: -0.126
local terms energy: -258.479811
where:
bonds (distance) C4'-P energy: -38.316
bonds (distance) P-C4' energy: -39.378
flat angles C4'-P-C4' energy: -58.690
flat angles P-C4'-P energy: -42.231
tors. eta vs tors. theta energy: -79.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -837.971669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.971669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.971669 (E_RNA)
where:
Base-Base interactions energy: -594.065
where: short stacking energy: -239.407
Base-Backbone interact. energy: -0.504
local terms energy: -243.402437
where:
bonds (distance) C4'-P energy: -42.537
bonds (distance) P-C4' energy: -48.786
flat angles C4'-P-C4' energy: -51.300
flat angles P-C4'-P energy: -34.630
tors. eta vs tors. theta energy: -66.150
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: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -786.645565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.645565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.645565 (E_RNA)
where:
Base-Base interactions energy: -541.240
where: short stacking energy: -230.657
Base-Backbone interact. energy: -0.099
local terms energy: -245.306178
where:
bonds (distance) C4'-P energy: -43.181
bonds (distance) P-C4' energy: -42.581
flat angles C4'-P-C4' energy: -54.922
flat angles P-C4'-P energy: -37.806
tors. eta vs tors. theta energy: -66.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -726.095042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.095042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.095042 (E_RNA)
where:
Base-Base interactions energy: -493.413
where: short stacking energy: -201.781
Base-Backbone interact. energy: -0.843
local terms energy: -231.838975
where:
bonds (distance) C4'-P energy: -43.862
bonds (distance) P-C4' energy: -46.400
flat angles C4'-P-C4' energy: -51.586
flat angles P-C4'-P energy: -31.239
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: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -712.114293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.114293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.114293 (E_RNA)
where:
Base-Base interactions energy: -512.373
where: short stacking energy: -205.014
Base-Backbone interact. energy: -0.699
local terms energy: -199.042371
where:
bonds (distance) C4'-P energy: -43.111
bonds (distance) P-C4' energy: -40.647
flat angles C4'-P-C4' energy: -41.514
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -53.613
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: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -700.299135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.299135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.299135 (E_RNA)
where:
Base-Base interactions energy: -477.113
where: short stacking energy: -219.916
Base-Backbone interact. energy: -1.888
local terms energy: -221.298160
where:
bonds (distance) C4'-P energy: -35.741
bonds (distance) P-C4' energy: -40.109
flat angles C4'-P-C4' energy: -52.983
flat angles P-C4'-P energy: -33.660
tors. eta vs tors. theta energy: -58.805
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: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -643.075287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.075287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.075287 (E_RNA)
where:
Base-Base interactions energy: -429.111
where: short stacking energy: -193.975
Base-Backbone interact. energy: 2.905
local terms energy: -216.869263
where:
bonds (distance) C4'-P energy: -41.365
bonds (distance) P-C4' energy: -47.035
flat angles C4'-P-C4' energy: -50.695
flat angles P-C4'-P energy: -30.066
tors. eta vs tors. theta energy: -47.707
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: 287
Temperature: 1.250000
Total energy: -489.181153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.181153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.181153 (E_RNA)
where:
Base-Base interactions energy: -326.093
where: short stacking energy: -136.987
Base-Backbone interact. energy: -0.507
local terms energy: -162.581050
where:
bonds (distance) C4'-P energy: -25.081
bonds (distance) P-C4' energy: -46.874
flat angles C4'-P-C4' energy: -42.714
flat angles P-C4'-P energy: -25.451
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -342.082838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.082838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.082838 (E_RNA)
where:
Base-Base interactions energy: -189.119
where: short stacking energy: -113.152
Base-Backbone interact. energy: -0.806
local terms energy: -152.157949
where:
bonds (distance) C4'-P energy: -43.649
bonds (distance) P-C4' energy: -43.975
flat angles C4'-P-C4' energy: -30.910
flat angles P-C4'-P energy: -19.378
tors. eta vs tors. theta energy: -14.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -228.751560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.751560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.751560 (E_RNA)
where:
Base-Base interactions energy: -96.792
where: short stacking energy: -66.822
Base-Backbone interact. energy: -0.168
local terms energy: -131.792249
where:
bonds (distance) C4'-P energy: -33.603
bonds (distance) P-C4' energy: -38.339
flat angles C4'-P-C4' energy: -36.930
flat angles P-C4'-P energy: -24.994
tors. eta vs tors. theta energy: 2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -846.181795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.181795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.181795 (E_RNA)
where:
Base-Base interactions energy: -585.997
where: short stacking energy: -258.864
Base-Backbone interact. energy: -0.368
local terms energy: -259.817483
where:
bonds (distance) C4'-P energy: -45.858
bonds (distance) P-C4' energy: -46.377
flat angles C4'-P-C4' energy: -52.604
flat angles P-C4'-P energy: -37.713
tors. eta vs tors. theta energy: -77.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -831.757742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.757742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.757742 (E_RNA)
where:
Base-Base interactions energy: -599.574
where: short stacking energy: -235.459
Base-Backbone interact. energy: -1.071
local terms energy: -231.112909
where:
bonds (distance) C4'-P energy: -36.324
bonds (distance) P-C4' energy: -43.479
flat angles C4'-P-C4' energy: -48.953
flat angles P-C4'-P energy: -35.097
tors. eta vs tors. theta energy: -67.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -759.074831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.074831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.074831 (E_RNA)
where:
Base-Base interactions energy: -525.449
where: short stacking energy: -230.352
Base-Backbone interact. energy: -1.899
local terms energy: -231.726684
where:
bonds (distance) C4'-P energy: -45.983
bonds (distance) P-C4' energy: -37.666
flat angles C4'-P-C4' energy: -48.085
flat angles P-C4'-P energy: -35.307
tors. eta vs tors. theta energy: -64.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -726.449557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.449557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.449557 (E_RNA)
where:
Base-Base interactions energy: -491.967
where: short stacking energy: -209.073
Base-Backbone interact. energy: -0.677
local terms energy: -233.805050
where:
bonds (distance) C4'-P energy: -44.529
bonds (distance) P-C4' energy: -45.459
flat angles C4'-P-C4' energy: -46.564
flat angles P-C4'-P energy: -38.189
tors. eta vs tors. theta energy: -59.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -734.663549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.663549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.663549 (E_RNA)
where:
Base-Base interactions energy: -501.073
where: short stacking energy: -204.668
Base-Backbone interact. energy: -1.826
local terms energy: -231.764796
where:
bonds (distance) C4'-P energy: -40.891
bonds (distance) P-C4' energy: -48.790
flat angles C4'-P-C4' energy: -50.054
flat angles P-C4'-P energy: -34.174
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: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -699.398429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.398429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.398429 (E_RNA)
where:
Base-Base interactions energy: -484.039
where: short stacking energy: -221.876
Base-Backbone interact. energy: 0.506
local terms energy: -215.865279
where:
bonds (distance) C4'-P energy: -44.900
bonds (distance) P-C4' energy: -26.629
flat angles C4'-P-C4' energy: -50.385
flat angles P-C4'-P energy: -34.817
tors. eta vs tors. theta energy: -59.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -645.306302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.306302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.306302 (E_RNA)
where:
Base-Base interactions energy: -442.958
where: short stacking energy: -208.033
Base-Backbone interact. energy: 3.193
local terms energy: -205.541275
where:
bonds (distance) C4'-P energy: -41.342
bonds (distance) P-C4' energy: -38.113
flat angles C4'-P-C4' energy: -39.477
flat angles P-C4'-P energy: -34.435
tors. eta vs tors. theta energy: -52.174
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: 2
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -508.484876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.484876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.484876 (E_RNA)
where:
Base-Base interactions energy: -333.238
where: short stacking energy: -156.639
Base-Backbone interact. energy: -1.126
local terms energy: -174.121263
where:
bonds (distance) C4'-P energy: -37.060
bonds (distance) P-C4' energy: -40.136
flat angles C4'-P-C4' energy: -35.895
flat angles P-C4'-P energy: -33.364
tors. eta vs tors. theta energy: -27.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -350.873296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.873296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.873296 (E_RNA)
where:
Base-Base interactions energy: -205.889
where: short stacking energy: -100.579
Base-Backbone interact. energy: -1.623
local terms energy: -143.361666
where:
bonds (distance) C4'-P energy: -37.099
bonds (distance) P-C4' energy: -37.324
flat angles C4'-P-C4' energy: -41.662
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -218.747955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.747955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.747955 (E_RNA)
where:
Base-Base interactions energy: -85.071
where: short stacking energy: -59.498
Base-Backbone interact. energy: -0.197
local terms energy: -133.480451
where:
bonds (distance) C4'-P energy: -31.085
bonds (distance) P-C4' energy: -48.155
flat angles C4'-P-C4' energy: -34.548
flat angles P-C4'-P energy: -27.538
tors. eta vs tors. theta energy: 7.846
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: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -860.845138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.845138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.845138 (E_RNA)
where:
Base-Base interactions energy: -590.043
where: short stacking energy: -265.918
Base-Backbone interact. energy: -0.769
local terms energy: -270.033458
where:
bonds (distance) C4'-P energy: -56.293
bonds (distance) P-C4' energy: -55.658
flat angles C4'-P-C4' energy: -51.123
flat angles P-C4'-P energy: -35.097
tors. eta vs tors. theta energy: -71.863
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: 8
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -840.232726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.232726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.232726 (E_RNA)
where:
Base-Base interactions energy: -595.422
where: short stacking energy: -245.494
Base-Backbone interact. energy: -1.203
local terms energy: -243.607626
where:
bonds (distance) C4'-P energy: -38.277
bonds (distance) P-C4' energy: -44.252
flat angles C4'-P-C4' energy: -57.516
flat angles P-C4'-P energy: -33.217
tors. eta vs tors. theta energy: -70.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -753.392383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.392383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.392383 (E_RNA)
where:
Base-Base interactions energy: -536.228
where: short stacking energy: -226.246
Base-Backbone interact. energy: 2.396
local terms energy: -219.560751
where:
bonds (distance) C4'-P energy: -34.927
bonds (distance) P-C4' energy: -36.310
flat angles C4'-P-C4' energy: -49.404
flat angles P-C4'-P energy: -36.343
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: 4, replica: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -747.889253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.889253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.889253 (E_RNA)
where:
Base-Base interactions energy: -529.935
where: short stacking energy: -203.726
Base-Backbone interact. energy: -0.106
local terms energy: -217.848451
where:
bonds (distance) C4'-P energy: -39.750
bonds (distance) P-C4' energy: -45.331
flat angles C4'-P-C4' energy: -46.039
flat angles P-C4'-P energy: -29.849
tors. eta vs tors. theta energy: -56.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -714.892487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.892487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.892487 (E_RNA)
where:
Base-Base interactions energy: -501.793
where: short stacking energy: -221.366
Base-Backbone interact. energy: -1.452
local terms energy: -211.647003
where:
bonds (distance) C4'-P energy: -43.292
bonds (distance) P-C4' energy: -35.389
flat angles C4'-P-C4' energy: -49.255
flat angles P-C4'-P energy: -29.347
tors. eta vs tors. theta energy: -54.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -687.717459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.717459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.717459 (E_RNA)
where:
Base-Base interactions energy: -470.984
where: short stacking energy: -205.692
Base-Backbone interact. energy: 1.188
local terms energy: -217.921243
where:
bonds (distance) C4'-P energy: -39.682
bonds (distance) P-C4' energy: -42.657
flat angles C4'-P-C4' energy: -51.883
flat angles P-C4'-P energy: -28.597
tors. eta vs tors. theta energy: -55.102
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: 7, replica: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -654.339700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.339700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.339700 (E_RNA)
where:
Base-Base interactions energy: -440.673
where: short stacking energy: -188.074
Base-Backbone interact. energy: 0.561
local terms energy: -214.227357
where:
bonds (distance) C4'-P energy: -37.816
bonds (distance) P-C4' energy: -49.421
flat angles C4'-P-C4' energy: -43.519
flat angles P-C4'-P energy: -31.366
tors. eta vs tors. theta energy: -52.105
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: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -503.531710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.531710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.531710 (E_RNA)
where:
Base-Base interactions energy: -355.475
where: short stacking energy: -150.731
Base-Backbone interact. energy: -0.378
local terms energy: -147.678967
where:
bonds (distance) C4'-P energy: -40.432
bonds (distance) P-C4' energy: -35.686
flat angles C4'-P-C4' energy: -32.651
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -29.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -341.235601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.235601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.235601 (E_RNA)
where:
Base-Base interactions energy: -169.988
where: short stacking energy: -104.093
Base-Backbone interact. energy: -0.352
local terms energy: -170.895690
where:
bonds (distance) C4'-P energy: -45.290
bonds (distance) P-C4' energy: -42.478
flat angles C4'-P-C4' energy: -39.230
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -27.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -225.018044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.018044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.018044 (E_RNA)
where:
Base-Base interactions energy: -96.576
where: short stacking energy: -85.178
Base-Backbone interact. energy: -1.016
local terms energy: -127.425971
where:
bonds (distance) C4'-P energy: -30.436
bonds (distance) P-C4' energy: -31.957
flat angles C4'-P-C4' energy: -39.210
flat angles P-C4'-P energy: -21.015
tors. eta vs tors. theta energy: -4.808
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: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -850.643289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.643289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.643289 (E_RNA)
where:
Base-Base interactions energy: -583.208
where: short stacking energy: -252.272
Base-Backbone interact. energy: -0.531
local terms energy: -266.904445
where:
bonds (distance) C4'-P energy: -50.475
bonds (distance) P-C4' energy: -48.737
flat angles C4'-P-C4' energy: -54.819
flat angles P-C4'-P energy: -36.484
tors. eta vs tors. theta energy: -76.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -838.709393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.709393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.709393 (E_RNA)
where:
Base-Base interactions energy: -589.739
where: short stacking energy: -240.163
Base-Backbone interact. energy: -0.662
local terms energy: -248.308164
where:
bonds (distance) C4'-P energy: -46.202
bonds (distance) P-C4' energy: -46.599
flat angles C4'-P-C4' energy: -52.604
flat angles P-C4'-P energy: -36.963
tors. eta vs tors. theta energy: -65.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -782.426387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.426387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.426387 (E_RNA)
where:
Base-Base interactions energy: -527.515
where: short stacking energy: -234.059
Base-Backbone interact. energy: -0.754
local terms energy: -254.157098
where:
bonds (distance) C4'-P energy: -45.083
bonds (distance) P-C4' energy: -48.576
flat angles C4'-P-C4' energy: -50.199
flat angles P-C4'-P energy: -37.561
tors. eta vs tors. theta energy: -72.737
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: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -758.178850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.178850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.178850 (E_RNA)
where:
Base-Base interactions energy: -531.688
where: short stacking energy: -206.836
Base-Backbone interact. energy: -0.696
local terms energy: -225.794980
where:
bonds (distance) C4'-P energy: -41.838
bonds (distance) P-C4' energy: -43.571
flat angles C4'-P-C4' energy: -47.446
flat angles P-C4'-P energy: -34.753
tors. eta vs tors. theta energy: -58.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -715.480886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.480886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.480886 (E_RNA)
where:
Base-Base interactions energy: -478.503
where: short stacking energy: -207.060
Base-Backbone interact. energy: -0.970
local terms energy: -236.007550
where:
bonds (distance) C4'-P energy: -49.831
bonds (distance) P-C4' energy: -43.536
flat angles C4'-P-C4' energy: -44.987
flat angles P-C4'-P energy: -33.149
tors. eta vs tors. theta energy: -64.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -653.618365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.618365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.618365 (E_RNA)
where:
Base-Base interactions energy: -455.605
where: short stacking energy: -183.244
Base-Backbone interact. energy: -1.380
local terms energy: -196.632865
where:
bonds (distance) C4'-P energy: -39.479
bonds (distance) P-C4' energy: -35.526
flat angles C4'-P-C4' energy: -50.132
flat angles P-C4'-P energy: -22.641
tors. eta vs tors. theta energy: -48.855
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: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -655.726282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.726282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.726282 (E_RNA)
where:
Base-Base interactions energy: -456.419
where: short stacking energy: -198.351
Base-Backbone interact. energy: -1.462
local terms energy: -197.845505
where:
bonds (distance) C4'-P energy: -34.613
bonds (distance) P-C4' energy: -42.315
flat angles C4'-P-C4' energy: -45.490
flat angles P-C4'-P energy: -18.416
tors. eta vs tors. theta energy: -57.012
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: 8, replica: 2
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -495.960297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.960297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.960297 (E_RNA)
where:
Base-Base interactions energy: -310.684
where: short stacking energy: -138.991
Base-Backbone interact. energy: -1.427
local terms energy: -183.848851
where:
bonds (distance) C4'-P energy: -43.947
bonds (distance) P-C4' energy: -35.790
flat angles C4'-P-C4' energy: -49.305
flat angles P-C4'-P energy: -31.771
tors. eta vs tors. theta energy: -23.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -353.849433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.849433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.849433 (E_RNA)
where:
Base-Base interactions energy: -203.965
where: short stacking energy: -105.750
Base-Backbone interact. energy: 0.668
local terms energy: -150.552320
where:
bonds (distance) C4'-P energy: -45.373
bonds (distance) P-C4' energy: -39.966
flat angles C4'-P-C4' energy: -37.964
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -11.015
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: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -214.322833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.322833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.322833 (E_RNA)
where:
Base-Base interactions energy: -80.977
where: short stacking energy: -62.195
Base-Backbone interact. energy: -1.883
local terms energy: -131.463101
where:
bonds (distance) C4'-P energy: -38.421
bonds (distance) P-C4' energy: -43.621
flat angles C4'-P-C4' energy: -34.273
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: 1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -851.177866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.177866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.177866 (E_RNA)
where:
Base-Base interactions energy: -581.221
where: short stacking energy: -252.764
Base-Backbone interact. energy: 0.691
local terms energy: -270.647288
where:
bonds (distance) C4'-P energy: -46.259
bonds (distance) P-C4' energy: -50.191
flat angles C4'-P-C4' energy: -54.889
flat angles P-C4'-P energy: -38.087
tors. eta vs tors. theta energy: -81.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -839.083603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.083603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.083603 (E_RNA)
where:
Base-Base interactions energy: -592.921
where: short stacking energy: -238.394
Base-Backbone interact. energy: -0.723
local terms energy: -245.439807
where:
bonds (distance) C4'-P energy: -44.374
bonds (distance) P-C4' energy: -51.729
flat angles C4'-P-C4' energy: -49.854
flat angles P-C4'-P energy: -36.519
tors. eta vs tors. theta energy: -62.964
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: 291
Temperature: 1.000000
Total energy: -768.062282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.062282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.062282 (E_RNA)
where:
Base-Base interactions energy: -530.025
where: short stacking energy: -228.975
Base-Backbone interact. energy: 1.346
local terms energy: -239.383979
where:
bonds (distance) C4'-P energy: -43.036
bonds (distance) P-C4' energy: -47.645
flat angles C4'-P-C4' energy: -52.168
flat angles P-C4'-P energy: -33.980
tors. eta vs tors. theta energy: -62.555
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: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -775.595555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.595555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.595555 (E_RNA)
where:
Base-Base interactions energy: -521.921
where: short stacking energy: -213.661
Base-Backbone interact. energy: 0.357
local terms energy: -254.032284
where:
bonds (distance) C4'-P energy: -50.403
bonds (distance) P-C4' energy: -51.357
flat angles C4'-P-C4' energy: -50.107
flat angles P-C4'-P energy: -36.981
tors. eta vs tors. theta energy: -65.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -692.291726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.291726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.291726 (E_RNA)
where:
Base-Base interactions energy: -484.591
where: short stacking energy: -201.480
Base-Backbone interact. energy: -1.274
local terms energy: -206.426351
where:
bonds (distance) C4'-P energy: -43.080
bonds (distance) P-C4' energy: -41.251
flat angles C4'-P-C4' energy: -41.352
flat angles P-C4'-P energy: -25.112
tors. eta vs tors. theta energy: -55.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -682.619975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.619975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.619975 (E_RNA)
where:
Base-Base interactions energy: -462.806
where: short stacking energy: -207.839
Base-Backbone interact. energy: -1.374
local terms energy: -218.439976
where:
bonds (distance) C4'-P energy: -35.634
bonds (distance) P-C4' energy: -44.909
flat angles C4'-P-C4' energy: -52.232
flat angles P-C4'-P energy: -28.146
tors. eta vs tors. theta energy: -57.519
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: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -634.868109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.868109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.868109 (E_RNA)
where:
Base-Base interactions energy: -430.567
where: short stacking energy: -187.055
Base-Backbone interact. energy: -1.527
local terms energy: -202.774506
where:
bonds (distance) C4'-P energy: -38.736
bonds (distance) P-C4' energy: -37.232
flat angles C4'-P-C4' energy: -49.646
flat angles P-C4'-P energy: -37.381
tors. eta vs tors. theta energy: -39.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -496.489262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.489262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.489262 (E_RNA)
where:
Base-Base interactions energy: -308.294
where: short stacking energy: -141.903
Base-Backbone interact. energy: -1.047
local terms energy: -187.148164
where:
bonds (distance) C4'-P energy: -38.289
bonds (distance) P-C4' energy: -49.504
flat angles C4'-P-C4' energy: -39.146
flat angles P-C4'-P energy: -33.921
tors. eta vs tors. theta energy: -26.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -368.569827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.569827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.569827 (E_RNA)
where:
Base-Base interactions energy: -217.397
where: short stacking energy: -103.317
Base-Backbone interact. energy: -1.055
local terms energy: -150.117569
where:
bonds (distance) C4'-P energy: -35.364
bonds (distance) P-C4' energy: -47.475
flat angles C4'-P-C4' energy: -26.896
flat angles P-C4'-P energy: -25.407
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -220.741638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.741638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.741638 (E_RNA)
where:
Base-Base interactions energy: -88.470
where: short stacking energy: -76.574
Base-Backbone interact. energy: 1.004
local terms energy: -133.275499
where:
bonds (distance) C4'-P energy: -40.400
bonds (distance) P-C4' energy: -34.505
flat angles C4'-P-C4' energy: -43.321
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: 0.969
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: 8
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -859.867268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.867268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.867268 (E_RNA)
where:
Base-Base interactions energy: -607.917
where: short stacking energy: -229.730
Base-Backbone interact. energy: -1.525
local terms energy: -250.424754
where:
bonds (distance) C4'-P energy: -56.744
bonds (distance) P-C4' energy: -44.441
flat angles C4'-P-C4' energy: -46.614
flat angles P-C4'-P energy: -37.846
tors. eta vs tors. theta energy: -64.780
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: 292
Temperature: 0.950000
Total energy: -841.492764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.492764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.492764 (E_RNA)
where:
Base-Base interactions energy: -584.815
where: short stacking energy: -249.026
Base-Backbone interact. energy: -0.182
local terms energy: -256.494904
where:
bonds (distance) C4'-P energy: -44.665
bonds (distance) P-C4' energy: -49.043
flat angles C4'-P-C4' energy: -50.403
flat angles P-C4'-P energy: -34.909
tors. eta vs tors. theta energy: -77.475
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: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -760.289997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.289997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.289997 (E_RNA)
where:
Base-Base interactions energy: -529.586
where: short stacking energy: -212.641
Base-Backbone interact. energy: -1.297
local terms energy: -229.407167
where:
bonds (distance) C4'-P energy: -39.308
bonds (distance) P-C4' energy: -40.344
flat angles C4'-P-C4' energy: -54.884
flat angles P-C4'-P energy: -32.193
tors. eta vs tors. theta energy: -62.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -777.949058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.949058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.949058 (E_RNA)
where:
Base-Base interactions energy: -544.316
where: short stacking energy: -228.621
Base-Backbone interact. energy: 1.112
local terms energy: -234.745399
where:
bonds (distance) C4'-P energy: -43.624
bonds (distance) P-C4' energy: -48.325
flat angles C4'-P-C4' energy: -51.193
flat angles P-C4'-P energy: -25.978
tors. eta vs tors. theta energy: -65.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -712.300950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.300950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.300950 (E_RNA)
where:
Base-Base interactions energy: -489.782
where: short stacking energy: -208.415
Base-Backbone interact. energy: -0.611
local terms energy: -221.908267
where:
bonds (distance) C4'-P energy: -44.882
bonds (distance) P-C4' energy: -41.864
flat angles C4'-P-C4' energy: -47.299
flat angles P-C4'-P energy: -29.269
tors. eta vs tors. theta energy: -58.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -665.483606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.483606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.483606 (E_RNA)
where:
Base-Base interactions energy: -448.680
where: short stacking energy: -189.213
Base-Backbone interact. energy: -0.700
local terms energy: -216.103592
where:
bonds (distance) C4'-P energy: -44.118
bonds (distance) P-C4' energy: -44.874
flat angles C4'-P-C4' energy: -50.546
flat angles P-C4'-P energy: -28.066
tors. eta vs tors. theta energy: -48.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -642.611425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.611425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.611425 (E_RNA)
where:
Base-Base interactions energy: -454.738
where: short stacking energy: -191.244
Base-Backbone interact. energy: -1.368
local terms energy: -186.505147
where:
bonds (distance) C4'-P energy: -32.060
bonds (distance) P-C4' energy: -42.328
flat angles C4'-P-C4' energy: -40.049
flat angles P-C4'-P energy: -23.742
tors. eta vs tors. theta energy: -48.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -460.472799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.472799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.472799 (E_RNA)
where:
Base-Base interactions energy: -287.290
where: short stacking energy: -129.908
Base-Backbone interact. energy: -0.839
local terms energy: -172.342926
where:
bonds (distance) C4'-P energy: -47.922
bonds (distance) P-C4' energy: -41.997
flat angles C4'-P-C4' energy: -42.890
flat angles P-C4'-P energy: -21.908
tors. eta vs tors. theta energy: -17.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -377.443670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.443670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.443670 (E_RNA)
where:
Base-Base interactions energy: -225.572
where: short stacking energy: -112.881
Base-Backbone interact. energy: 1.106
local terms energy: -152.978120
where:
bonds (distance) C4'-P energy: -42.128
bonds (distance) P-C4' energy: -42.435
flat angles C4'-P-C4' energy: -31.289
flat angles P-C4'-P energy: -25.147
tors. eta vs tors. theta energy: -11.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -188.836434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.836434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.836434 (E_RNA)
where:
Base-Base interactions energy: -74.442
where: short stacking energy: -60.918
Base-Backbone interact. energy: 1.461
local terms energy: -115.856226
where:
bonds (distance) C4'-P energy: -31.342
bonds (distance) P-C4' energy: -36.765
flat angles C4'-P-C4' energy: -28.304
flat angles P-C4'-P energy: -26.200
tors. eta vs tors. theta energy: 6.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -857.570946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.570946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.570946 (E_RNA)
where:
Base-Base interactions energy: -609.977
where: short stacking energy: -230.088
Base-Backbone interact. energy: -1.344
local terms energy: -246.249762
where:
bonds (distance) C4'-P energy: -47.824
bonds (distance) P-C4' energy: -45.459
flat angles C4'-P-C4' energy: -47.962
flat angles P-C4'-P energy: -38.784
tors. eta vs tors. theta energy: -66.221
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: 5
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -840.935916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.935916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.935916 (E_RNA)
where:
Base-Base interactions energy: -584.285
where: short stacking energy: -252.510
Base-Backbone interact. energy: -1.733
local terms energy: -254.917552
where:
bonds (distance) C4'-P energy: -49.743
bonds (distance) P-C4' energy: -40.249
flat angles C4'-P-C4' energy: -53.414
flat angles P-C4'-P energy: -33.055
tors. eta vs tors. theta energy: -78.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -771.194971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.194971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.194971 (E_RNA)
where:
Base-Base interactions energy: -538.648
where: short stacking energy: -227.836
Base-Backbone interact. energy: -2.296
local terms energy: -230.250249
where:
bonds (distance) C4'-P energy: -31.119
bonds (distance) P-C4' energy: -47.578
flat angles C4'-P-C4' energy: -52.285
flat angles P-C4'-P energy: -33.492
tors. eta vs tors. theta energy: -65.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -753.049405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.049405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.049405 (E_RNA)
where:
Base-Base interactions energy: -518.546
where: short stacking energy: -191.333
Base-Backbone interact. energy: 0.629
local terms energy: -235.131981
where:
bonds (distance) C4'-P energy: -37.127
bonds (distance) P-C4' energy: -43.726
flat angles C4'-P-C4' energy: -55.971
flat angles P-C4'-P energy: -40.193
tors. eta vs tors. theta energy: -58.116
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: 5, replica: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -714.940416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.940416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.940416 (E_RNA)
where:
Base-Base interactions energy: -492.918
where: short stacking energy: -207.811
Base-Backbone interact. energy: -1.176
local terms energy: -220.847222
where:
bonds (distance) C4'-P energy: -43.052
bonds (distance) P-C4' energy: -43.229
flat angles C4'-P-C4' energy: -42.873
flat angles P-C4'-P energy: -34.169
tors. eta vs tors. theta energy: -57.525
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: 1
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -642.140804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.140804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.140804 (E_RNA)
where:
Base-Base interactions energy: -436.421
where: short stacking energy: -191.459
Base-Backbone interact. energy: -0.291
local terms energy: -205.429194
where:
bonds (distance) C4'-P energy: -34.400
bonds (distance) P-C4' energy: -46.899
flat angles C4'-P-C4' energy: -39.516
flat angles P-C4'-P energy: -32.239
tors. eta vs tors. theta energy: -52.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -652.469542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.469542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.469542 (E_RNA)
where:
Base-Base interactions energy: -452.593
where: short stacking energy: -185.056
Base-Backbone interact. energy: -1.986
local terms energy: -197.890120
where:
bonds (distance) C4'-P energy: -38.474
bonds (distance) P-C4' energy: -43.292
flat angles C4'-P-C4' energy: -47.561
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -47.449
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: 293
Temperature: 1.250000
Total energy: -470.794934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.794934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.794934 (E_RNA)
where:
Base-Base interactions energy: -299.811
where: short stacking energy: -139.979
Base-Backbone interact. energy: 1.006
local terms energy: -171.990275
where:
bonds (distance) C4'-P energy: -39.481
bonds (distance) P-C4' energy: -43.023
flat angles C4'-P-C4' energy: -43.394
flat angles P-C4'-P energy: -26.814
tors. eta vs tors. theta energy: -19.277
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: 293
Temperature: 1.300000
Total energy: -390.707239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.707239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.707239 (E_RNA)
where:
Base-Base interactions energy: -259.455
where: short stacking energy: -113.544
Base-Backbone interact. energy: 2.286
local terms energy: -133.538621
where:
bonds (distance) C4'-P energy: -23.916
bonds (distance) P-C4' energy: -33.942
flat angles C4'-P-C4' energy: -38.321
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -227.779048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.779048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.779048 (E_RNA)
where:
Base-Base interactions energy: -82.077
where: short stacking energy: -52.553
Base-Backbone interact. energy: -0.106
local terms energy: -145.596106
where:
bonds (distance) C4'-P energy: -44.427
bonds (distance) P-C4' energy: -42.315
flat angles C4'-P-C4' energy: -32.441
flat angles P-C4'-P energy: -30.124
tors. eta vs tors. theta energy: 3.712
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: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -853.102767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.102767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.102767 (E_RNA)
where:
Base-Base interactions energy: -591.472
where: short stacking energy: -253.057
Base-Backbone interact. energy: -0.346
local terms energy: -261.284691
where:
bonds (distance) C4'-P energy: -42.927
bonds (distance) P-C4' energy: -46.818
flat angles C4'-P-C4' energy: -56.674
flat angles P-C4'-P energy: -37.370
tors. eta vs tors. theta energy: -77.495
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: 8
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -827.434946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.434946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.434946 (E_RNA)
where:
Base-Base interactions energy: -604.174
where: short stacking energy: -245.398
Base-Backbone interact. energy: -0.876
local terms energy: -222.384858
where:
bonds (distance) C4'-P energy: -42.624
bonds (distance) P-C4' energy: -42.626
flat angles C4'-P-C4' energy: -37.880
flat angles P-C4'-P energy: -34.478
tors. eta vs tors. theta energy: -64.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -784.441395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.441395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.441395 (E_RNA)
where:
Base-Base interactions energy: -543.444
where: short stacking energy: -220.215
Base-Backbone interact. energy: 1.101
local terms energy: -242.098182
where:
bonds (distance) C4'-P energy: -48.613
bonds (distance) P-C4' energy: -41.628
flat angles C4'-P-C4' energy: -51.883
flat angles P-C4'-P energy: -39.043
tors. eta vs tors. theta energy: -60.931
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: 294
Temperature: 1.050000
Total energy: -751.862330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.862330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.862330 (E_RNA)
where:
Base-Base interactions energy: -524.807
where: short stacking energy: -222.418
Base-Backbone interact. energy: -0.083
local terms energy: -226.972522
where:
bonds (distance) C4'-P energy: -45.378
bonds (distance) P-C4' energy: -42.165
flat angles C4'-P-C4' energy: -44.424
flat angles P-C4'-P energy: -34.989
tors. eta vs tors. theta energy: -60.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -702.244392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.244392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.244392 (E_RNA)
where:
Base-Base interactions energy: -481.910
where: short stacking energy: -214.448
Base-Backbone interact. energy: -0.797
local terms energy: -219.536619
where:
bonds (distance) C4'-P energy: -34.609
bonds (distance) P-C4' energy: -47.514
flat angles C4'-P-C4' energy: -46.176
flat angles P-C4'-P energy: -29.877
tors. eta vs tors. theta energy: -61.360
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: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -626.623132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.623132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.623132 (E_RNA)
where:
Base-Base interactions energy: -436.364
where: short stacking energy: -184.595
Base-Backbone interact. energy: -0.213
local terms energy: -190.045833
where:
bonds (distance) C4'-P energy: -33.801
bonds (distance) P-C4' energy: -39.964
flat angles C4'-P-C4' energy: -39.021
flat angles P-C4'-P energy: -31.395
tors. eta vs tors. theta energy: -45.865
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: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -623.816831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.816831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.816831 (E_RNA)
where:
Base-Base interactions energy: -429.413
where: short stacking energy: -187.845
Base-Backbone interact. energy: -0.860
local terms energy: -193.543499
where:
bonds (distance) C4'-P energy: -35.618
bonds (distance) P-C4' energy: -37.059
flat angles C4'-P-C4' energy: -51.078
flat angles P-C4'-P energy: -28.367
tors. eta vs tors. theta energy: -41.422
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: 2
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -472.545171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.545171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.545171 (E_RNA)
where:
Base-Base interactions energy: -298.822
where: short stacking energy: -142.216
Base-Backbone interact. energy: -1.932
local terms energy: -171.791633
where:
bonds (distance) C4'-P energy: -40.794
bonds (distance) P-C4' energy: -36.828
flat angles C4'-P-C4' energy: -39.782
flat angles P-C4'-P energy: -27.229
tors. eta vs tors. theta energy: -27.159
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: 294
Temperature: 1.300000
Total energy: -403.450984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.450984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.450984 (E_RNA)
where:
Base-Base interactions energy: -240.168
where: short stacking energy: -97.390
Base-Backbone interact. energy: 0.424
local terms energy: -163.706586
where:
bonds (distance) C4'-P energy: -35.538
bonds (distance) P-C4' energy: -41.898
flat angles C4'-P-C4' energy: -45.098
flat angles P-C4'-P energy: -21.735
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -247.462345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.462345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.462345 (E_RNA)
where:
Base-Base interactions energy: -124.231
where: short stacking energy: -79.524
Base-Backbone interact. energy: 1.153
local terms energy: -124.384184
where:
bonds (distance) C4'-P energy: -40.644
bonds (distance) P-C4' energy: -42.607
flat angles C4'-P-C4' energy: -26.712
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -1.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -854.612644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.612644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.612644 (E_RNA)
where:
Base-Base interactions energy: -599.207
where: short stacking energy: -253.694
Base-Backbone interact. energy: -0.548
local terms energy: -254.857371
where:
bonds (distance) C4'-P energy: -52.807
bonds (distance) P-C4' energy: -43.582
flat angles C4'-P-C4' energy: -43.561
flat angles P-C4'-P energy: -34.961
tors. eta vs tors. theta energy: -79.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -844.936370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.936370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.936370 (E_RNA)
where:
Base-Base interactions energy: -590.643
where: short stacking energy: -247.174
Base-Backbone interact. energy: -0.889
local terms energy: -253.403903
where:
bonds (distance) C4'-P energy: -49.608
bonds (distance) P-C4' energy: -45.907
flat angles C4'-P-C4' energy: -48.877
flat angles P-C4'-P energy: -37.934
tors. eta vs tors. theta energy: -71.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -760.120984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.120984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.120984 (E_RNA)
where:
Base-Base interactions energy: -531.611
where: short stacking energy: -221.942
Base-Backbone interact. energy: 0.932
local terms energy: -229.441206
where:
bonds (distance) C4'-P energy: -41.900
bonds (distance) P-C4' energy: -46.286
flat angles C4'-P-C4' energy: -47.089
flat angles P-C4'-P energy: -37.389
tors. eta vs tors. theta energy: -56.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -763.663679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.663679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.663679 (E_RNA)
where:
Base-Base interactions energy: -527.086
where: short stacking energy: -215.327
Base-Backbone interact. energy: -0.970
local terms energy: -235.607660
where:
bonds (distance) C4'-P energy: -47.228
bonds (distance) P-C4' energy: -42.121
flat angles C4'-P-C4' energy: -53.629
flat angles P-C4'-P energy: -28.712
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: 5, replica: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -722.585886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.585886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.585886 (E_RNA)
where:
Base-Base interactions energy: -484.851
where: short stacking energy: -216.143
Base-Backbone interact. energy: 0.189
local terms energy: -237.923432
where:
bonds (distance) C4'-P energy: -49.713
bonds (distance) P-C4' energy: -51.117
flat angles C4'-P-C4' energy: -41.847
flat angles P-C4'-P energy: -36.675
tors. eta vs tors. theta energy: -58.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -634.089525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.089525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.089525 (E_RNA)
where:
Base-Base interactions energy: -418.340
where: short stacking energy: -184.492
Base-Backbone interact. energy: -0.276
local terms energy: -215.473599
where:
bonds (distance) C4'-P energy: -46.182
bonds (distance) P-C4' energy: -43.100
flat angles C4'-P-C4' energy: -46.565
flat angles P-C4'-P energy: -32.399
tors. eta vs tors. theta energy: -47.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -658.699402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.699402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.699402 (E_RNA)
where:
Base-Base interactions energy: -440.819
where: short stacking energy: -200.671
Base-Backbone interact. energy: -0.407
local terms energy: -217.474249
where:
bonds (distance) C4'-P energy: -44.590
bonds (distance) P-C4' energy: -39.690
flat angles C4'-P-C4' energy: -49.295
flat angles P-C4'-P energy: -30.625
tors. eta vs tors. theta energy: -53.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -432.554344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.554344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.554344 (E_RNA)
where:
Base-Base interactions energy: -268.897
where: short stacking energy: -133.429
Base-Backbone interact. energy: -0.664
local terms energy: -162.993299
where:
bonds (distance) C4'-P energy: -39.286
bonds (distance) P-C4' energy: -35.071
flat angles C4'-P-C4' energy: -44.823
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: -25.572
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: 2
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -377.062950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.062950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.062950 (E_RNA)
where:
Base-Base interactions energy: -230.877
where: short stacking energy: -118.964
Base-Backbone interact. energy: -0.659
local terms energy: -145.527100
where:
bonds (distance) C4'-P energy: -36.000
bonds (distance) P-C4' energy: -41.167
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -31.965
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -224.149885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.149885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.149885 (E_RNA)
where:
Base-Base interactions energy: -107.409
where: short stacking energy: -67.443
Base-Backbone interact. energy: 1.186
local terms energy: -117.926354
where:
bonds (distance) C4'-P energy: -33.841
bonds (distance) P-C4' energy: -46.963
flat angles C4'-P-C4' energy: -28.481
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: 3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -847.093252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.093252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.093252 (E_RNA)
where:
Base-Base interactions energy: -596.014
where: short stacking energy: -234.964
Base-Backbone interact. energy: -1.411
local terms energy: -249.668493
where:
bonds (distance) C4'-P energy: -44.059
bonds (distance) P-C4' energy: -50.146
flat angles C4'-P-C4' energy: -47.471
flat angles P-C4'-P energy: -38.783
tors. eta vs tors. theta energy: -69.210
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: 5
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -863.509323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.509323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.509323 (E_RNA)
where:
Base-Base interactions energy: -604.740
where: short stacking energy: -254.654
Base-Backbone interact. energy: 0.093
local terms energy: -258.861826
where:
bonds (distance) C4'-P energy: -54.368
bonds (distance) P-C4' energy: -49.024
flat angles C4'-P-C4' energy: -48.579
flat angles P-C4'-P energy: -29.546
tors. eta vs tors. theta energy: -77.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -778.042177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.042177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.042177 (E_RNA)
where:
Base-Base interactions energy: -544.918
where: short stacking energy: -232.760
Base-Backbone interact. energy: -1.709
local terms energy: -231.414729
where:
bonds (distance) C4'-P energy: -40.799
bonds (distance) P-C4' energy: -48.291
flat angles C4'-P-C4' energy: -50.753
flat angles P-C4'-P energy: -27.965
tors. eta vs tors. theta energy: -63.606
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: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -736.814888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.814888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.814888 (E_RNA)
where:
Base-Base interactions energy: -505.196
where: short stacking energy: -213.478
Base-Backbone interact. energy: -2.518
local terms energy: -229.100614
where:
bonds (distance) C4'-P energy: -49.673
bonds (distance) P-C4' energy: -49.838
flat angles C4'-P-C4' energy: -43.058
flat angles P-C4'-P energy: -24.012
tors. eta vs tors. theta energy: -62.520
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: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -703.947910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.947910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.947910 (E_RNA)
where:
Base-Base interactions energy: -475.398
where: short stacking energy: -218.169
Base-Backbone interact. energy: -0.302
local terms energy: -228.248226
where:
bonds (distance) C4'-P energy: -33.191
bonds (distance) P-C4' energy: -46.060
flat angles C4'-P-C4' energy: -53.216
flat angles P-C4'-P energy: -33.919
tors. eta vs tors. theta energy: -61.863
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: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -657.178932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.178932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.178932 (E_RNA)
where:
Base-Base interactions energy: -452.738
where: short stacking energy: -192.815
Base-Backbone interact. energy: -0.288
local terms energy: -204.152521
where:
bonds (distance) C4'-P energy: -47.317
bonds (distance) P-C4' energy: -49.001
flat angles C4'-P-C4' energy: -31.681
flat angles P-C4'-P energy: -24.430
tors. eta vs tors. theta energy: -51.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -652.013057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.013057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.013057 (E_RNA)
where:
Base-Base interactions energy: -446.095
where: short stacking energy: -186.027
Base-Backbone interact. energy: 0.552
local terms energy: -206.470327
where:
bonds (distance) C4'-P energy: -33.736
bonds (distance) P-C4' energy: -38.007
flat angles C4'-P-C4' energy: -46.450
flat angles P-C4'-P energy: -35.516
tors. eta vs tors. theta energy: -52.763
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: 9
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -477.377808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.377808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.377808 (E_RNA)
where:
Base-Base interactions energy: -292.349
where: short stacking energy: -143.088
Base-Backbone interact. energy: -0.636
local terms energy: -184.392156
where:
bonds (distance) C4'-P energy: -35.458
bonds (distance) P-C4' energy: -45.551
flat angles C4'-P-C4' energy: -44.589
flat angles P-C4'-P energy: -26.419
tors. eta vs tors. theta energy: -32.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -380.116774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.116774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.116774 (E_RNA)
where:
Base-Base interactions energy: -210.593
where: short stacking energy: -93.677
Base-Backbone interact. energy: -1.901
local terms energy: -167.623319
where:
bonds (distance) C4'-P energy: -41.516
bonds (distance) P-C4' energy: -40.432
flat angles C4'-P-C4' energy: -41.296
flat angles P-C4'-P energy: -29.111
tors. eta vs tors. theta energy: -15.268
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: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -228.336020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.336020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.336020 (E_RNA)
where:
Base-Base interactions energy: -112.500
where: short stacking energy: -82.088
Base-Backbone interact. energy: -0.479
local terms energy: -115.357131
where:
bonds (distance) C4'-P energy: -24.952
bonds (distance) P-C4' energy: -43.273
flat angles C4'-P-C4' energy: -31.069
flat angles P-C4'-P energy: -21.867
tors. eta vs tors. theta energy: 5.804
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: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -848.870598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.870598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.870598 (E_RNA)
where:
Base-Base interactions energy: -589.436
where: short stacking energy: -241.306
Base-Backbone interact. energy: -2.416
local terms energy: -257.018452
where:
bonds (distance) C4'-P energy: -54.111
bonds (distance) P-C4' energy: -50.387
flat angles C4'-P-C4' energy: -52.418
flat angles P-C4'-P energy: -31.357
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: 2, replica: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -838.017841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.017841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.017841 (E_RNA)
where:
Base-Base interactions energy: -588.845
where: short stacking energy: -249.515
Base-Backbone interact. energy: 2.410
local terms energy: -251.582275
where:
bonds (distance) C4'-P energy: -48.639
bonds (distance) P-C4' energy: -45.319
flat angles C4'-P-C4' energy: -52.338
flat angles P-C4'-P energy: -31.743
tors. eta vs tors. theta energy: -73.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -787.919506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.919506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.919506 (E_RNA)
where:
Base-Base interactions energy: -529.558
where: short stacking energy: -227.202
Base-Backbone interact. energy: -1.003
local terms energy: -257.358386
where:
bonds (distance) C4'-P energy: -45.429
bonds (distance) P-C4' energy: -45.402
flat angles C4'-P-C4' energy: -56.856
flat angles P-C4'-P energy: -39.266
tors. eta vs tors. theta energy: -70.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -741.903429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.903429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.903429 (E_RNA)
where:
Base-Base interactions energy: -514.563
where: short stacking energy: -223.361
Base-Backbone interact. energy: -0.235
local terms energy: -227.105836
where:
bonds (distance) C4'-P energy: -36.213
bonds (distance) P-C4' energy: -47.218
flat angles C4'-P-C4' energy: -48.422
flat angles P-C4'-P energy: -27.620
tors. eta vs tors. theta energy: -67.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -714.183939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.183939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.183939 (E_RNA)
where:
Base-Base interactions energy: -502.268
where: short stacking energy: -215.219
Base-Backbone interact. energy: -0.858
local terms energy: -211.057829
where:
bonds (distance) C4'-P energy: -32.573
bonds (distance) P-C4' energy: -43.567
flat angles C4'-P-C4' energy: -51.937
flat angles P-C4'-P energy: -26.294
tors. eta vs tors. theta energy: -56.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -668.113535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.113535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.113535 (E_RNA)
where:
Base-Base interactions energy: -457.550
where: short stacking energy: -204.976
Base-Backbone interact. energy: -0.147
local terms energy: -210.416622
where:
bonds (distance) C4'-P energy: -38.160
bonds (distance) P-C4' energy: -44.569
flat angles C4'-P-C4' energy: -38.961
flat angles P-C4'-P energy: -28.713
tors. eta vs tors. theta energy: -60.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -633.235342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.235342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.235342 (E_RNA)
where:
Base-Base interactions energy: -449.529
where: short stacking energy: -188.036
Base-Backbone interact. energy: -1.134
local terms energy: -182.572051
where:
bonds (distance) C4'-P energy: -44.421
bonds (distance) P-C4' energy: -39.810
flat angles C4'-P-C4' energy: -32.459
flat angles P-C4'-P energy: -21.119
tors. eta vs tors. theta energy: -44.762
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: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -487.982306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.982306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.982306 (E_RNA)
where:
Base-Base interactions energy: -302.829
where: short stacking energy: -155.741
Base-Backbone interact. energy: -0.341
local terms energy: -184.811599
where:
bonds (distance) C4'-P energy: -40.634
bonds (distance) P-C4' energy: -44.368
flat angles C4'-P-C4' energy: -38.020
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -37.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -409.832412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.832412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.832412 (E_RNA)
where:
Base-Base interactions energy: -253.626
where: short stacking energy: -124.931
Base-Backbone interact. energy: -0.266
local terms energy: -155.940432
where:
bonds (distance) C4'-P energy: -32.026
bonds (distance) P-C4' energy: -40.572
flat angles C4'-P-C4' energy: -41.621
flat angles P-C4'-P energy: -19.366
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: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -204.505170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.505170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.505170 (E_RNA)
where:
Base-Base interactions energy: -78.115
where: short stacking energy: -45.447
Base-Backbone interact. energy: -1.363
local terms energy: -125.027002
where:
bonds (distance) C4'-P energy: -35.475
bonds (distance) P-C4' energy: -44.547
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -24.834
tors. eta vs tors. theta energy: 1.388
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: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -850.483139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.483139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.483139 (E_RNA)
where:
Base-Base interactions energy: -597.359
where: short stacking energy: -253.468
Base-Backbone interact. energy: -0.336
local terms energy: -252.788284
where:
bonds (distance) C4'-P energy: -51.304
bonds (distance) P-C4' energy: -43.182
flat angles C4'-P-C4' energy: -50.661
flat angles P-C4'-P energy: -25.885
tors. eta vs tors. theta energy: -81.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -828.655788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.655788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.655788 (E_RNA)
where:
Base-Base interactions energy: -599.811
where: short stacking energy: -242.856
Base-Backbone interact. energy: -1.934
local terms energy: -226.910804
where:
bonds (distance) C4'-P energy: -41.103
bonds (distance) P-C4' energy: -41.786
flat angles C4'-P-C4' energy: -49.344
flat angles P-C4'-P energy: -26.510
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: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -776.606885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.606885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.606885 (E_RNA)
where:
Base-Base interactions energy: -543.191
where: short stacking energy: -232.146
Base-Backbone interact. energy: -1.786
local terms energy: -231.629725
where:
bonds (distance) C4'-P energy: -37.833
bonds (distance) P-C4' energy: -41.083
flat angles C4'-P-C4' energy: -53.726
flat angles P-C4'-P energy: -30.451
tors. eta vs tors. theta energy: -68.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -742.339247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.339247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.339247 (E_RNA)
where:
Base-Base interactions energy: -520.600
where: short stacking energy: -232.654
Base-Backbone interact. energy: 0.160
local terms energy: -221.898703
where:
bonds (distance) C4'-P energy: -31.012
bonds (distance) P-C4' energy: -47.993
flat angles C4'-P-C4' energy: -45.624
flat angles P-C4'-P energy: -33.613
tors. eta vs tors. theta energy: -63.658
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: 6
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -699.716684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.716684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.716684 (E_RNA)
where:
Base-Base interactions energy: -481.468
where: short stacking energy: -209.392
Base-Backbone interact. energy: -1.152
local terms energy: -217.097377
where:
bonds (distance) C4'-P energy: -43.710
bonds (distance) P-C4' energy: -35.007
flat angles C4'-P-C4' energy: -46.114
flat angles P-C4'-P energy: -33.434
tors. eta vs tors. theta energy: -58.833
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: 6, replica: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -678.209216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.209216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.209216 (E_RNA)
where:
Base-Base interactions energy: -468.069
where: short stacking energy: -203.809
Base-Backbone interact. energy: -3.188
local terms energy: -206.952115
where:
bonds (distance) C4'-P energy: -40.035
bonds (distance) P-C4' energy: -37.985
flat angles C4'-P-C4' energy: -39.048
flat angles P-C4'-P energy: -36.741
tors. eta vs tors. theta energy: -53.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -661.518490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.518490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.518490 (E_RNA)
where:
Base-Base interactions energy: -474.617
where: short stacking energy: -193.469
Base-Backbone interact. energy: 0.362
local terms energy: -187.263584
where:
bonds (distance) C4'-P energy: -40.352
bonds (distance) P-C4' energy: -42.575
flat angles C4'-P-C4' energy: -38.618
flat angles P-C4'-P energy: -19.821
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: 8, replica: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -439.211062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.211062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.211062 (E_RNA)
where:
Base-Base interactions energy: -272.584
where: short stacking energy: -118.940
Base-Backbone interact. energy: 0.133
local terms energy: -166.760514
where:
bonds (distance) C4'-P energy: -43.090
bonds (distance) P-C4' energy: -34.917
flat angles C4'-P-C4' energy: -39.189
flat angles P-C4'-P energy: -27.650
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -379.102163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.102163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.102163 (E_RNA)
where:
Base-Base interactions energy: -250.962
where: short stacking energy: -129.017
Base-Backbone interact. energy: 0.248
local terms energy: -128.388297
where:
bonds (distance) C4'-P energy: -32.959
bonds (distance) P-C4' energy: -31.996
flat angles C4'-P-C4' energy: -38.573
flat angles P-C4'-P energy: -1.691
tors. eta vs tors. theta energy: -23.170
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: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -224.150125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.150125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.150125 (E_RNA)
where:
Base-Base interactions energy: -101.443
where: short stacking energy: -83.859
Base-Backbone interact. energy: 1.144
local terms energy: -123.851054
where:
bonds (distance) C4'-P energy: -28.062
bonds (distance) P-C4' energy: -35.809
flat angles C4'-P-C4' energy: -34.154
flat angles P-C4'-P energy: -23.566
tors. eta vs tors. theta energy: -2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -856.089159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.089159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.089159 (E_RNA)
where:
Base-Base interactions energy: -590.635
where: short stacking energy: -270.069
Base-Backbone interact. energy: -0.980
local terms energy: -264.474349
where:
bonds (distance) C4'-P energy: -43.496
bonds (distance) P-C4' energy: -44.163
flat angles C4'-P-C4' energy: -53.282
flat angles P-C4'-P energy: -38.492
tors. eta vs tors. theta energy: -85.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -829.171350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.171350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.171350 (E_RNA)
where:
Base-Base interactions energy: -602.138
where: short stacking energy: -233.911
Base-Backbone interact. energy: -1.473
local terms energy: -225.560321
where:
bonds (distance) C4'-P energy: -38.050
bonds (distance) P-C4' energy: -43.299
flat angles C4'-P-C4' energy: -44.947
flat angles P-C4'-P energy: -34.246
tors. eta vs tors. theta energy: -65.018
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: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -773.040793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.040793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.040793 (E_RNA)
where:
Base-Base interactions energy: -540.957
where: short stacking energy: -225.722
Base-Backbone interact. energy: -1.985
local terms energy: -230.097843
where:
bonds (distance) C4'-P energy: -40.934
bonds (distance) P-C4' energy: -43.121
flat angles C4'-P-C4' energy: -49.832
flat angles P-C4'-P energy: -30.889
tors. eta vs tors. theta energy: -65.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -753.233976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.233976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.233976 (E_RNA)
where:
Base-Base interactions energy: -518.289
where: short stacking energy: -223.746
Base-Backbone interact. energy: 0.323
local terms energy: -235.268049
where:
bonds (distance) C4'-P energy: -41.263
bonds (distance) P-C4' energy: -38.537
flat angles C4'-P-C4' energy: -52.688
flat angles P-C4'-P energy: -36.993
tors. eta vs tors. theta energy: -65.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -709.006029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.006029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.006029 (E_RNA)
where:
Base-Base interactions energy: -493.695
where: short stacking energy: -205.020
Base-Backbone interact. energy: -0.422
local terms energy: -214.889143
where:
bonds (distance) C4'-P energy: -37.948
bonds (distance) P-C4' energy: -42.530
flat angles C4'-P-C4' energy: -50.057
flat angles P-C4'-P energy: -32.028
tors. eta vs tors. theta energy: -52.325
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: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -668.406192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.406192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.406192 (E_RNA)
where:
Base-Base interactions energy: -453.801
where: short stacking energy: -212.989
Base-Backbone interact. energy: -0.921
local terms energy: -213.684082
where:
bonds (distance) C4'-P energy: -36.235
bonds (distance) P-C4' energy: -38.049
flat angles C4'-P-C4' energy: -47.894
flat angles P-C4'-P energy: -33.791
tors. eta vs tors. theta energy: -57.716
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: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -675.165888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.165888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.165888 (E_RNA)
where:
Base-Base interactions energy: -464.472
where: short stacking energy: -198.139
Base-Backbone interact. energy: -2.260
local terms energy: -208.434458
where:
bonds (distance) C4'-P energy: -48.398
bonds (distance) P-C4' energy: -39.476
flat angles C4'-P-C4' energy: -43.813
flat angles P-C4'-P energy: -24.420
tors. eta vs tors. theta energy: -52.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -442.202703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.202703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.202703 (E_RNA)
where:
Base-Base interactions energy: -274.600
where: short stacking energy: -132.238
Base-Backbone interact. energy: -0.434
local terms energy: -167.168896
where:
bonds (distance) C4'-P energy: -38.035
bonds (distance) P-C4' energy: -44.570
flat angles C4'-P-C4' energy: -40.307
flat angles P-C4'-P energy: -24.430
tors. eta vs tors. theta energy: -19.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -389.025814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.025814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.025814 (E_RNA)
where:
Base-Base interactions energy: -211.026
where: short stacking energy: -118.678
Base-Backbone interact. energy: -0.411
local terms energy: -177.588557
where:
bonds (distance) C4'-P energy: -38.956
bonds (distance) P-C4' energy: -46.525
flat angles C4'-P-C4' energy: -37.031
flat angles P-C4'-P energy: -29.536
tors. eta vs tors. theta energy: -25.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -212.640702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.640702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.640702 (E_RNA)
where:
Base-Base interactions energy: -101.456
where: short stacking energy: -78.823
Base-Backbone interact. energy: -0.383
local terms energy: -110.801877
where:
bonds (distance) C4'-P energy: -38.140
bonds (distance) P-C4' energy: -26.264
flat angles C4'-P-C4' energy: -28.939
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -855.423167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.423167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.423167 (E_RNA)
where:
Base-Base interactions energy: -591.488
where: short stacking energy: -264.274
Base-Backbone interact. energy: -0.085
local terms energy: -263.849607
where:
bonds (distance) C4'-P energy: -45.579
bonds (distance) P-C4' energy: -46.336
flat angles C4'-P-C4' energy: -51.385
flat angles P-C4'-P energy: -42.020
tors. eta vs tors. theta energy: -78.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -828.696874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.696874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.696874 (E_RNA)
where:
Base-Base interactions energy: -585.953
where: short stacking energy: -234.958
Base-Backbone interact. energy: -0.369
local terms energy: -242.375570
where:
bonds (distance) C4'-P energy: -46.750
bonds (distance) P-C4' energy: -48.742
flat angles C4'-P-C4' energy: -41.771
flat angles P-C4'-P energy: -37.144
tors. eta vs tors. theta energy: -67.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -776.668961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.668961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.668961 (E_RNA)
where:
Base-Base interactions energy: -542.799
where: short stacking energy: -227.424
Base-Backbone interact. energy: -1.020
local terms energy: -232.850213
where:
bonds (distance) C4'-P energy: -43.418
bonds (distance) P-C4' energy: -39.531
flat angles C4'-P-C4' energy: -55.767
flat angles P-C4'-P energy: -30.782
tors. eta vs tors. theta energy: -63.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -764.364297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.364297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.364297 (E_RNA)
where:
Base-Base interactions energy: -516.574
where: short stacking energy: -222.663
Base-Backbone interact. energy: -0.265
local terms energy: -247.525621
where:
bonds (distance) C4'-P energy: -47.209
bonds (distance) P-C4' energy: -43.132
flat angles C4'-P-C4' energy: -56.233
flat angles P-C4'-P energy: -35.777
tors. eta vs tors. theta energy: -65.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -678.583046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.583046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.583046 (E_RNA)
where:
Base-Base interactions energy: -448.554
where: short stacking energy: -207.873
Base-Backbone interact. energy: -0.967
local terms energy: -229.061899
where:
bonds (distance) C4'-P energy: -39.556
bonds (distance) P-C4' energy: -44.600
flat angles C4'-P-C4' energy: -50.338
flat angles P-C4'-P energy: -32.532
tors. eta vs tors. theta energy: -62.036
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: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -686.945428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.945428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.945428 (E_RNA)
where:
Base-Base interactions energy: -478.721
where: short stacking energy: -203.955
Base-Backbone interact. energy: -0.863
local terms energy: -207.361353
where:
bonds (distance) C4'-P energy: -35.576
bonds (distance) P-C4' energy: -40.201
flat angles C4'-P-C4' energy: -42.775
flat angles P-C4'-P energy: -29.437
tors. eta vs tors. theta energy: -59.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -653.357824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.357824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.357824 (E_RNA)
where:
Base-Base interactions energy: -447.513
where: short stacking energy: -185.537
Base-Backbone interact. energy: -2.511
local terms energy: -203.333587
where:
bonds (distance) C4'-P energy: -41.985
bonds (distance) P-C4' energy: -37.374
flat angles C4'-P-C4' energy: -44.238
flat angles P-C4'-P energy: -29.744
tors. eta vs tors. theta energy: -49.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -462.814800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.814800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.814800 (E_RNA)
where:
Base-Base interactions energy: -300.077
where: short stacking energy: -145.439
Base-Backbone interact. energy: -0.454
local terms energy: -162.283769
where:
bonds (distance) C4'-P energy: -41.113
bonds (distance) P-C4' energy: -36.971
flat angles C4'-P-C4' energy: -34.410
flat angles P-C4'-P energy: -21.207
tors. eta vs tors. theta energy: -28.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -429.298211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.298211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.298211 (E_RNA)
where:
Base-Base interactions energy: -271.006
where: short stacking energy: -119.720
Base-Backbone interact. energy: -2.590
local terms energy: -155.702117
where:
bonds (distance) C4'-P energy: -30.898
bonds (distance) P-C4' energy: -43.367
flat angles C4'-P-C4' energy: -41.159
flat angles P-C4'-P energy: -23.992
tors. eta vs tors. theta energy: -16.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -233.931400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.931400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.931400 (E_RNA)
where:
Base-Base interactions energy: -100.677
where: short stacking energy: -72.793
Base-Backbone interact. energy: -0.471
local terms energy: -132.783309
where:
bonds (distance) C4'-P energy: -38.236
bonds (distance) P-C4' energy: -38.254
flat angles C4'-P-C4' energy: -35.545
flat angles P-C4'-P energy: -21.290
tors. eta vs tors. theta energy: 0.541
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: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -851.158909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.158909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.158909 (E_RNA)
where:
Base-Base interactions energy: -591.964
where: short stacking energy: -264.563
Base-Backbone interact. energy: -0.336
local terms energy: -258.858838
where:
bonds (distance) C4'-P energy: -37.674
bonds (distance) P-C4' energy: -47.804
flat angles C4'-P-C4' energy: -56.868
flat angles P-C4'-P energy: -39.047
tors. eta vs tors. theta energy: -77.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -842.924535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.924535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.924535 (E_RNA)
where:
Base-Base interactions energy: -593.149
where: short stacking energy: -237.418
Base-Backbone interact. energy: -2.039
local terms energy: -247.737135
where:
bonds (distance) C4'-P energy: -50.343
bonds (distance) P-C4' energy: -46.947
flat angles C4'-P-C4' energy: -49.876
flat angles P-C4'-P energy: -34.678
tors. eta vs tors. theta energy: -65.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -773.866349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.866349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.866349 (E_RNA)
where:
Base-Base interactions energy: -549.655
where: short stacking energy: -229.081
Base-Backbone interact. energy: -1.640
local terms energy: -222.571423
where:
bonds (distance) C4'-P energy: -45.174
bonds (distance) P-C4' energy: -34.419
flat angles C4'-P-C4' energy: -48.738
flat angles P-C4'-P energy: -31.156
tors. eta vs tors. theta energy: -63.083
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: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -755.140428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.140428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.140428 (E_RNA)
where:
Base-Base interactions energy: -519.938
where: short stacking energy: -222.066
Base-Backbone interact. energy: -1.334
local terms energy: -233.868085
where:
bonds (distance) C4'-P energy: -38.666
bonds (distance) P-C4' energy: -54.747
flat angles C4'-P-C4' energy: -51.481
flat angles P-C4'-P energy: -23.713
tors. eta vs tors. theta energy: -65.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -709.053272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.053272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.053272 (E_RNA)
where:
Base-Base interactions energy: -485.319
where: short stacking energy: -230.056
Base-Backbone interact. energy: -0.504
local terms energy: -223.230034
where:
bonds (distance) C4'-P energy: -37.988
bonds (distance) P-C4' energy: -45.332
flat angles C4'-P-C4' energy: -45.625
flat angles P-C4'-P energy: -38.001
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: 6, replica: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -687.254831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.254831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.254831 (E_RNA)
where:
Base-Base interactions energy: -480.695
where: short stacking energy: -197.083
Base-Backbone interact. energy: -1.267
local terms energy: -205.292314
where:
bonds (distance) C4'-P energy: -37.109
bonds (distance) P-C4' energy: -40.675
flat angles C4'-P-C4' energy: -47.482
flat angles P-C4'-P energy: -19.824
tors. eta vs tors. theta energy: -60.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -689.889578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.889578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.889578 (E_RNA)
where:
Base-Base interactions energy: -477.582
where: short stacking energy: -198.982
Base-Backbone interact. energy: 0.179
local terms energy: -212.487150
where:
bonds (distance) C4'-P energy: -42.360
bonds (distance) P-C4' energy: -32.004
flat angles C4'-P-C4' energy: -49.708
flat angles P-C4'-P energy: -34.614
tors. eta vs tors. theta energy: -53.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -428.781787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.781787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.781787 (E_RNA)
where:
Base-Base interactions energy: -272.618
where: short stacking energy: -120.597
Base-Backbone interact. energy: 0.023
local terms energy: -156.186462
where:
bonds (distance) C4'-P energy: -40.761
bonds (distance) P-C4' energy: -37.616
flat angles C4'-P-C4' energy: -30.377
flat angles P-C4'-P energy: -25.595
tors. eta vs tors. theta energy: -21.838
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: 301
Temperature: 1.300000
Total energy: -438.193727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.193727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.193727 (E_RNA)
where:
Base-Base interactions energy: -286.059
where: short stacking energy: -127.543
Base-Backbone interact. energy: 2.251
local terms energy: -154.385907
where:
bonds (distance) C4'-P energy: -33.738
bonds (distance) P-C4' energy: -36.071
flat angles C4'-P-C4' energy: -42.501
flat angles P-C4'-P energy: -24.218
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -202.738806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.738806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.738806 (E_RNA)
where:
Base-Base interactions energy: -82.299
where: short stacking energy: -62.395
Base-Backbone interact. energy: -1.309
local terms energy: -119.130194
where:
bonds (distance) C4'-P energy: -36.514
bonds (distance) P-C4' energy: -33.101
flat angles C4'-P-C4' energy: -33.077
flat angles P-C4'-P energy: -20.533
tors. eta vs tors. theta energy: 4.094
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: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -844.295073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.295073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.295073 (E_RNA)
where:
Base-Base interactions energy: -605.116
where: short stacking energy: -228.572
Base-Backbone interact. energy: -0.169
local terms energy: -239.009718
where:
bonds (distance) C4'-P energy: -40.602
bonds (distance) P-C4' energy: -49.290
flat angles C4'-P-C4' energy: -49.010
flat angles P-C4'-P energy: -40.150
tors. eta vs tors. theta energy: -59.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -827.606779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.606779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.606779 (E_RNA)
where:
Base-Base interactions energy: -567.578
where: short stacking energy: -250.548
Base-Backbone interact. energy: 0.343
local terms energy: -260.372350
where:
bonds (distance) C4'-P energy: -51.557
bonds (distance) P-C4' energy: -44.188
flat angles C4'-P-C4' energy: -49.940
flat angles P-C4'-P energy: -38.452
tors. eta vs tors. theta energy: -76.235
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: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -777.835446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.835446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.835446 (E_RNA)
where:
Base-Base interactions energy: -548.124
where: short stacking energy: -233.059
Base-Backbone interact. energy: -1.172
local terms energy: -228.539869
where:
bonds (distance) C4'-P energy: -45.575
bonds (distance) P-C4' energy: -44.885
flat angles C4'-P-C4' energy: -51.858
flat angles P-C4'-P energy: -25.535
tors. eta vs tors. theta energy: -60.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -761.070818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.070818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.070818 (E_RNA)
where:
Base-Base interactions energy: -515.651
where: short stacking energy: -231.007
Base-Backbone interact. energy: 0.828
local terms energy: -246.248229
where:
bonds (distance) C4'-P energy: -42.020
bonds (distance) P-C4' energy: -37.725
flat angles C4'-P-C4' energy: -55.611
flat angles P-C4'-P energy: -39.966
tors. eta vs tors. theta energy: -70.926
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: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -701.315179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.315179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.315179 (E_RNA)
where:
Base-Base interactions energy: -482.371
where: short stacking energy: -218.859
Base-Backbone interact. energy: 0.131
local terms energy: -219.074422
where:
bonds (distance) C4'-P energy: -41.855
bonds (distance) P-C4' energy: -32.386
flat angles C4'-P-C4' energy: -53.182
flat angles P-C4'-P energy: -34.073
tors. eta vs tors. theta energy: -57.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -681.740170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.740170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.740170 (E_RNA)
where:
Base-Base interactions energy: -479.558
where: short stacking energy: -186.716
Base-Backbone interact. energy: -0.780
local terms energy: -201.402376
where:
bonds (distance) C4'-P energy: -33.418
bonds (distance) P-C4' energy: -45.488
flat angles C4'-P-C4' energy: -47.969
flat angles P-C4'-P energy: -26.679
tors. eta vs tors. theta energy: -47.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -686.164260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.164260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.164260 (E_RNA)
where:
Base-Base interactions energy: -476.449
where: short stacking energy: -205.191
Base-Backbone interact. energy: 5.293
local terms energy: -215.009087
where:
bonds (distance) C4'-P energy: -34.227
bonds (distance) P-C4' energy: -45.858
flat angles C4'-P-C4' energy: -47.079
flat angles P-C4'-P energy: -36.388
tors. eta vs tors. theta energy: -51.457
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: 2
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -422.470365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.470365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.470365 (E_RNA)
where:
Base-Base interactions energy: -249.737
where: short stacking energy: -135.784
Base-Backbone interact. energy: -0.991
local terms energy: -171.742318
where:
bonds (distance) C4'-P energy: -39.421
bonds (distance) P-C4' energy: -42.412
flat angles C4'-P-C4' energy: -33.688
flat angles P-C4'-P energy: -32.697
tors. eta vs tors. theta energy: -23.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -437.817750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.817750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.817750 (E_RNA)
where:
Base-Base interactions energy: -269.810
where: short stacking energy: -129.053
Base-Backbone interact. energy: 0.328
local terms energy: -168.334918
where:
bonds (distance) C4'-P energy: -34.615
bonds (distance) P-C4' energy: -40.181
flat angles C4'-P-C4' energy: -40.925
flat angles P-C4'-P energy: -23.391
tors. eta vs tors. theta energy: -29.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -241.669138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.669138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.669138 (E_RNA)
where:
Base-Base interactions energy: -100.952
where: short stacking energy: -73.003
Base-Backbone interact. energy: 0.062
local terms energy: -140.778788
where:
bonds (distance) C4'-P energy: -37.291
bonds (distance) P-C4' energy: -41.065
flat angles C4'-P-C4' energy: -34.152
flat angles P-C4'-P energy: -24.622
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: 8
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -855.809558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.809558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.809558 (E_RNA)
where:
Base-Base interactions energy: -610.056
where: short stacking energy: -240.142
Base-Backbone interact. energy: -1.038
local terms energy: -244.715550
where:
bonds (distance) C4'-P energy: -44.085
bonds (distance) P-C4' energy: -42.316
flat angles C4'-P-C4' energy: -53.382
flat angles P-C4'-P energy: -38.063
tors. eta vs tors. theta energy: -66.869
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: 303
Temperature: 0.950000
Total energy: -834.279125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.279125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.279125 (E_RNA)
where:
Base-Base interactions energy: -572.044
where: short stacking energy: -243.725
Base-Backbone interact. energy: 3.004
local terms energy: -265.239185
where:
bonds (distance) C4'-P energy: -48.555
bonds (distance) P-C4' energy: -48.929
flat angles C4'-P-C4' energy: -51.455
flat angles P-C4'-P energy: -39.325
tors. eta vs tors. theta energy: -76.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -757.831001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.831001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.831001 (E_RNA)
where:
Base-Base interactions energy: -513.797
where: short stacking energy: -205.455
Base-Backbone interact. energy: -0.731
local terms energy: -243.303504
where:
bonds (distance) C4'-P energy: -50.104
bonds (distance) P-C4' energy: -48.976
flat angles C4'-P-C4' energy: -54.435
flat angles P-C4'-P energy: -30.865
tors. eta vs tors. theta energy: -58.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -735.148587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.148587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.148587 (E_RNA)
where:
Base-Base interactions energy: -503.248
where: short stacking energy: -228.018
Base-Backbone interact. energy: -0.607
local terms energy: -231.293179
where:
bonds (distance) C4'-P energy: -37.408
bonds (distance) P-C4' energy: -40.096
flat angles C4'-P-C4' energy: -46.474
flat angles P-C4'-P energy: -39.631
tors. eta vs tors. theta energy: -67.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -685.874760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.874760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.874760 (E_RNA)
where:
Base-Base interactions energy: -461.364
where: short stacking energy: -221.381
Base-Backbone interact. energy: -0.548
local terms energy: -223.963119
where:
bonds (distance) C4'-P energy: -43.191
bonds (distance) P-C4' energy: -44.180
flat angles C4'-P-C4' energy: -46.995
flat angles P-C4'-P energy: -33.015
tors. eta vs tors. theta energy: -56.583
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: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -688.225984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.225984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.225984 (E_RNA)
where:
Base-Base interactions energy: -467.432
where: short stacking energy: -199.699
Base-Backbone interact. energy: -0.618
local terms energy: -220.176184
where:
bonds (distance) C4'-P energy: -36.866
bonds (distance) P-C4' energy: -34.123
flat angles C4'-P-C4' energy: -49.197
flat angles P-C4'-P energy: -39.797
tors. eta vs tors. theta energy: -60.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -678.018521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.018521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.018521 (E_RNA)
where:
Base-Base interactions energy: -465.556
where: short stacking energy: -208.566
Base-Backbone interact. energy: 1.543
local terms energy: -214.005481
where:
bonds (distance) C4'-P energy: -39.698
bonds (distance) P-C4' energy: -49.406
flat angles C4'-P-C4' energy: -47.759
flat angles P-C4'-P energy: -24.050
tors. eta vs tors. theta energy: -53.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -464.127545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.127545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.127545 (E_RNA)
where:
Base-Base interactions energy: -317.928
where: short stacking energy: -150.931
Base-Backbone interact. energy: -2.919
local terms energy: -143.280206
where:
bonds (distance) C4'-P energy: -30.544
bonds (distance) P-C4' energy: -35.766
flat angles C4'-P-C4' energy: -33.648
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -27.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -317.695430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.695430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.695430 (E_RNA)
where:
Base-Base interactions energy: -173.391
where: short stacking energy: -101.663
Base-Backbone interact. energy: -1.866
local terms energy: -142.437998
where:
bonds (distance) C4'-P energy: -25.783
bonds (distance) P-C4' energy: -41.454
flat angles C4'-P-C4' energy: -41.923
flat angles P-C4'-P energy: -25.862
tors. eta vs tors. theta energy: -7.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -252.308721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.308721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.308721 (E_RNA)
where:
Base-Base interactions energy: -105.992
where: short stacking energy: -68.306
Base-Backbone interact. energy: 2.544
local terms energy: -148.861138
where:
bonds (distance) C4'-P energy: -47.355
bonds (distance) P-C4' energy: -44.604
flat angles C4'-P-C4' energy: -40.415
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: 1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -847.410962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.410962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.410962 (E_RNA)
where:
Base-Base interactions energy: -581.106
where: short stacking energy: -250.438
Base-Backbone interact. energy: -0.364
local terms energy: -265.941284
where:
bonds (distance) C4'-P energy: -42.784
bonds (distance) P-C4' energy: -52.654
flat angles C4'-P-C4' energy: -52.617
flat angles P-C4'-P energy: -37.678
tors. eta vs tors. theta energy: -80.208
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: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -841.172052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.172052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.172052 (E_RNA)
where:
Base-Base interactions energy: -603.346
where: short stacking energy: -244.109
Base-Backbone interact. energy: -0.924
local terms energy: -236.902104
where:
bonds (distance) C4'-P energy: -45.625
bonds (distance) P-C4' energy: -38.249
flat angles C4'-P-C4' energy: -49.702
flat angles P-C4'-P energy: -38.921
tors. eta vs tors. theta energy: -64.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -757.188959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.188959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.188959 (E_RNA)
where:
Base-Base interactions energy: -514.156
where: short stacking energy: -220.668
Base-Backbone interact. energy: -0.349
local terms energy: -242.684085
where:
bonds (distance) C4'-P energy: -44.583
bonds (distance) P-C4' energy: -41.519
flat angles C4'-P-C4' energy: -52.848
flat angles P-C4'-P energy: -38.192
tors. eta vs tors. theta energy: -65.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -743.172052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.172052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.172052 (E_RNA)
where:
Base-Base interactions energy: -505.850
where: short stacking energy: -209.013
Base-Backbone interact. energy: 1.084
local terms energy: -238.405744
where:
bonds (distance) C4'-P energy: -49.182
bonds (distance) P-C4' energy: -45.323
flat angles C4'-P-C4' energy: -54.408
flat angles P-C4'-P energy: -28.615
tors. eta vs tors. theta energy: -60.878
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: 304
Temperature: 1.100000
Total energy: -694.227924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.227924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.227924 (E_RNA)
where:
Base-Base interactions energy: -467.598
where: short stacking energy: -213.979
Base-Backbone interact. energy: 2.026
local terms energy: -228.656028
where:
bonds (distance) C4'-P energy: -42.328
bonds (distance) P-C4' energy: -44.521
flat angles C4'-P-C4' energy: -53.883
flat angles P-C4'-P energy: -33.319
tors. eta vs tors. theta energy: -54.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -709.331582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.331582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.331582 (E_RNA)
where:
Base-Base interactions energy: -493.306
where: short stacking energy: -208.553
Base-Backbone interact. energy: -2.106
local terms energy: -213.919349
where:
bonds (distance) C4'-P energy: -42.842
bonds (distance) P-C4' energy: -43.938
flat angles C4'-P-C4' energy: -43.891
flat angles P-C4'-P energy: -25.065
tors. eta vs tors. theta energy: -58.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -673.528984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.528984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.528984 (E_RNA)
where:
Base-Base interactions energy: -465.709
where: short stacking energy: -202.228
Base-Backbone interact. energy: 3.137
local terms energy: -210.957456
where:
bonds (distance) C4'-P energy: -37.975
bonds (distance) P-C4' energy: -40.116
flat angles C4'-P-C4' energy: -46.364
flat angles P-C4'-P energy: -29.337
tors. eta vs tors. theta energy: -57.165
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: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -413.817239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.817239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.817239 (E_RNA)
where:
Base-Base interactions energy: -242.272
where: short stacking energy: -123.893
Base-Backbone interact. energy: -0.740
local terms energy: -170.805347
where:
bonds (distance) C4'-P energy: -41.317
bonds (distance) P-C4' energy: -40.461
flat angles C4'-P-C4' energy: -49.203
flat angles P-C4'-P energy: -28.425
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -297.517564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.517564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.517564 (E_RNA)
where:
Base-Base interactions energy: -153.541
where: short stacking energy: -83.798
Base-Backbone interact. energy: 1.160
local terms energy: -145.136533
where:
bonds (distance) C4'-P energy: -43.304
bonds (distance) P-C4' energy: -38.316
flat angles C4'-P-C4' energy: -37.136
flat angles P-C4'-P energy: -19.520
tors. eta vs tors. theta energy: -6.860
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: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -221.477178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.477178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.477178 (E_RNA)
where:
Base-Base interactions energy: -78.555
where: short stacking energy: -75.140
Base-Backbone interact. energy: 1.448
local terms energy: -144.370137
where:
bonds (distance) C4'-P energy: -33.068
bonds (distance) P-C4' energy: -41.267
flat angles C4'-P-C4' energy: -26.624
flat angles P-C4'-P energy: -26.003
tors. eta vs tors. theta energy: -17.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -839.748033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.748033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.748033 (E_RNA)
where:
Base-Base interactions energy: -578.437
where: short stacking energy: -255.955
Base-Backbone interact. energy: -1.393
local terms energy: -259.918206
where:
bonds (distance) C4'-P energy: -45.496
bonds (distance) P-C4' energy: -48.920
flat angles C4'-P-C4' energy: -50.623
flat angles P-C4'-P energy: -38.534
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: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -844.114785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.114785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.114785 (E_RNA)
where:
Base-Base interactions energy: -593.719
where: short stacking energy: -238.721
Base-Backbone interact. energy: -0.849
local terms energy: -249.546484
where:
bonds (distance) C4'-P energy: -45.781
bonds (distance) P-C4' energy: -50.347
flat angles C4'-P-C4' energy: -52.390
flat angles P-C4'-P energy: -32.792
tors. eta vs tors. theta energy: -68.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -771.475379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.475379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.475379 (E_RNA)
where:
Base-Base interactions energy: -543.051
where: short stacking energy: -237.167
Base-Backbone interact. energy: -2.158
local terms energy: -226.266733
where:
bonds (distance) C4'-P energy: -36.580
bonds (distance) P-C4' energy: -38.239
flat angles C4'-P-C4' energy: -50.294
flat angles P-C4'-P energy: -31.283
tors. eta vs tors. theta energy: -69.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -752.698216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.698216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.698216 (E_RNA)
where:
Base-Base interactions energy: -519.964
where: short stacking energy: -227.796
Base-Backbone interact. energy: -0.540
local terms energy: -232.194075
where:
bonds (distance) C4'-P energy: -46.367
bonds (distance) P-C4' energy: -45.202
flat angles C4'-P-C4' energy: -52.004
flat angles P-C4'-P energy: -26.489
tors. eta vs tors. theta energy: -62.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -662.232254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.232254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.232254 (E_RNA)
where:
Base-Base interactions energy: -465.717
where: short stacking energy: -195.814
Base-Backbone interact. energy: -1.090
local terms energy: -195.425555
where:
bonds (distance) C4'-P energy: -31.967
bonds (distance) P-C4' energy: -43.866
flat angles C4'-P-C4' energy: -41.843
flat angles P-C4'-P energy: -27.859
tors. eta vs tors. theta energy: -49.891
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: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -691.546498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.546498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.546498 (E_RNA)
where:
Base-Base interactions energy: -472.417
where: short stacking energy: -214.476
Base-Backbone interact. energy: 0.519
local terms energy: -219.648502
where:
bonds (distance) C4'-P energy: -33.407
bonds (distance) P-C4' energy: -39.865
flat angles C4'-P-C4' energy: -50.053
flat angles P-C4'-P energy: -35.739
tors. eta vs tors. theta energy: -60.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -683.259725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.259725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.259725 (E_RNA)
where:
Base-Base interactions energy: -487.764
where: short stacking energy: -193.204
Base-Backbone interact. energy: -0.627
local terms energy: -194.868913
where:
bonds (distance) C4'-P energy: -38.221
bonds (distance) P-C4' energy: -31.781
flat angles C4'-P-C4' energy: -39.931
flat angles P-C4'-P energy: -27.325
tors. eta vs tors. theta energy: -57.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -340.484380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.484380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.484380 (E_RNA)
where:
Base-Base interactions energy: -194.786
where: short stacking energy: -102.154
Base-Backbone interact. energy: -0.017
local terms energy: -145.681378
where:
bonds (distance) C4'-P energy: -41.194
bonds (distance) P-C4' energy: -42.729
flat angles C4'-P-C4' energy: -34.758
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -8.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -304.088808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.088808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.088808 (E_RNA)
where:
Base-Base interactions energy: -152.343
where: short stacking energy: -92.259
Base-Backbone interact. energy: -1.653
local terms energy: -150.092771
where:
bonds (distance) C4'-P energy: -35.440
bonds (distance) P-C4' energy: -48.973
flat angles C4'-P-C4' energy: -32.097
flat angles P-C4'-P energy: -24.693
tors. eta vs tors. theta energy: -8.890
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: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -191.226259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.226259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.226259 (E_RNA)
where:
Base-Base interactions energy: -63.362
where: short stacking energy: -56.629
Base-Backbone interact. energy: -0.879
local terms energy: -126.985686
where:
bonds (distance) C4'-P energy: -41.797
bonds (distance) P-C4' energy: -39.567
flat angles C4'-P-C4' energy: -38.010
flat angles P-C4'-P energy: -18.186
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: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -861.917062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.917062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.917062 (E_RNA)
where:
Base-Base interactions energy: -609.466
where: short stacking energy: -245.373
Base-Backbone interact. energy: -0.467
local terms energy: -251.984881
where:
bonds (distance) C4'-P energy: -42.786
bonds (distance) P-C4' energy: -47.177
flat angles C4'-P-C4' energy: -51.991
flat angles P-C4'-P energy: -39.762
tors. eta vs tors. theta energy: -70.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -830.106286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.106286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.106286 (E_RNA)
where:
Base-Base interactions energy: -588.168
where: short stacking energy: -258.229
Base-Backbone interact. energy: -0.845
local terms energy: -241.093461
where:
bonds (distance) C4'-P energy: -42.556
bonds (distance) P-C4' energy: -39.346
flat angles C4'-P-C4' energy: -52.899
flat angles P-C4'-P energy: -30.781
tors. eta vs tors. theta energy: -75.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -770.059285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.059285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.059285 (E_RNA)
where:
Base-Base interactions energy: -539.688
where: short stacking energy: -234.194
Base-Backbone interact. energy: 0.891
local terms energy: -231.262135
where:
bonds (distance) C4'-P energy: -40.098
bonds (distance) P-C4' energy: -41.872
flat angles C4'-P-C4' energy: -49.486
flat angles P-C4'-P energy: -31.987
tors. eta vs tors. theta energy: -67.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -745.682693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.682693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.682693 (E_RNA)
where:
Base-Base interactions energy: -530.495
where: short stacking energy: -213.783
Base-Backbone interact. energy: -2.569
local terms energy: -212.619509
where:
bonds (distance) C4'-P energy: -42.022
bonds (distance) P-C4' energy: -29.801
flat angles C4'-P-C4' energy: -52.242
flat angles P-C4'-P energy: -24.763
tors. eta vs tors. theta energy: -63.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -708.166047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.166047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.166047 (E_RNA)
where:
Base-Base interactions energy: -466.989
where: short stacking energy: -208.957
Base-Backbone interact. energy: -0.618
local terms energy: -240.559028
where:
bonds (distance) C4'-P energy: -49.857
bonds (distance) P-C4' energy: -39.436
flat angles C4'-P-C4' energy: -54.470
flat angles P-C4'-P energy: -35.552
tors. eta vs tors. theta energy: -61.244
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: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -656.261128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.261128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.261128 (E_RNA)
where:
Base-Base interactions energy: -448.470
where: short stacking energy: -204.280
Base-Backbone interact. energy: 1.420
local terms energy: -209.210951
where:
bonds (distance) C4'-P energy: -41.712
bonds (distance) P-C4' energy: -37.395
flat angles C4'-P-C4' energy: -49.289
flat angles P-C4'-P energy: -29.530
tors. eta vs tors. theta energy: -51.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -688.432661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.432661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.432661 (E_RNA)
where:
Base-Base interactions energy: -472.113
where: short stacking energy: -204.694
Base-Backbone interact. energy: -2.087
local terms energy: -214.232692
where:
bonds (distance) C4'-P energy: -43.025
bonds (distance) P-C4' energy: -44.880
flat angles C4'-P-C4' energy: -37.576
flat angles P-C4'-P energy: -24.130
tors. eta vs tors. theta energy: -64.622
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: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -307.050086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.050086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.050086 (E_RNA)
where:
Base-Base interactions energy: -157.791
where: short stacking energy: -101.804
Base-Backbone interact. energy: 1.713
local terms energy: -150.972253
where:
bonds (distance) C4'-P energy: -45.642
bonds (distance) P-C4' energy: -42.268
flat angles C4'-P-C4' energy: -31.200
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -313.638363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.638363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.638363 (E_RNA)
where:
Base-Base interactions energy: -157.443
where: short stacking energy: -103.515
Base-Backbone interact. energy: 1.344
local terms energy: -157.540297
where:
bonds (distance) C4'-P energy: -38.133
bonds (distance) P-C4' energy: -42.278
flat angles C4'-P-C4' energy: -40.163
flat angles P-C4'-P energy: -27.268
tors. eta vs tors. theta energy: -9.699
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: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -211.850986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.850986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.850986 (E_RNA)
where:
Base-Base interactions energy: -71.969
where: short stacking energy: -66.832
Base-Backbone interact. energy: 0.304
local terms energy: -140.186102
where:
bonds (distance) C4'-P energy: -40.948
bonds (distance) P-C4' energy: -44.966
flat angles C4'-P-C4' energy: -36.140
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: -1.544
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: 1, replica: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -860.529508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.529508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.529508 (E_RNA)
where:
Base-Base interactions energy: -597.887
where: short stacking energy: -241.239
Base-Backbone interact. energy: -1.310
local terms energy: -261.332185
where:
bonds (distance) C4'-P energy: -49.744
bonds (distance) P-C4' energy: -49.180
flat angles C4'-P-C4' energy: -53.719
flat angles P-C4'-P energy: -38.815
tors. eta vs tors. theta energy: -69.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -831.197676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.197676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.197676 (E_RNA)
where:
Base-Base interactions energy: -572.044
where: short stacking energy: -249.279
Base-Backbone interact. energy: -1.059
local terms energy: -258.094534
where:
bonds (distance) C4'-P energy: -46.627
bonds (distance) P-C4' energy: -47.995
flat angles C4'-P-C4' energy: -47.980
flat angles P-C4'-P energy: -38.963
tors. eta vs tors. theta energy: -76.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -786.944266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.944266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.944266 (E_RNA)
where:
Base-Base interactions energy: -529.487
where: short stacking energy: -226.055
Base-Backbone interact. energy: -1.071
local terms energy: -256.386201
where:
bonds (distance) C4'-P energy: -33.497
bonds (distance) P-C4' energy: -49.475
flat angles C4'-P-C4' energy: -56.167
flat angles P-C4'-P energy: -44.218
tors. eta vs tors. theta energy: -73.029
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: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -730.730931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.730931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.730931 (E_RNA)
where:
Base-Base interactions energy: -502.404
where: short stacking energy: -209.201
Base-Backbone interact. energy: 1.219
local terms energy: -229.546211
where:
bonds (distance) C4'-P energy: -43.480
bonds (distance) P-C4' energy: -43.322
flat angles C4'-P-C4' energy: -51.331
flat angles P-C4'-P energy: -32.910
tors. eta vs tors. theta energy: -58.503
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: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -713.179215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.179215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.179215 (E_RNA)
where:
Base-Base interactions energy: -478.781
where: short stacking energy: -203.587
Base-Backbone interact. energy: -0.869
local terms energy: -233.529333
where:
bonds (distance) C4'-P energy: -48.582
bonds (distance) P-C4' energy: -44.911
flat angles C4'-P-C4' energy: -44.401
flat angles P-C4'-P energy: -38.437
tors. eta vs tors. theta energy: -57.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -680.394157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.394157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.394157 (E_RNA)
where:
Base-Base interactions energy: -473.930
where: short stacking energy: -207.582
Base-Backbone interact. energy: -1.315
local terms energy: -205.148890
where:
bonds (distance) C4'-P energy: -43.274
bonds (distance) P-C4' energy: -33.655
flat angles C4'-P-C4' energy: -51.665
flat angles P-C4'-P energy: -22.079
tors. eta vs tors. theta energy: -54.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -662.431065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.431065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.431065 (E_RNA)
where:
Base-Base interactions energy: -450.414
where: short stacking energy: -214.388
Base-Backbone interact. energy: -0.286
local terms energy: -211.731040
where:
bonds (distance) C4'-P energy: -44.354
bonds (distance) P-C4' energy: -38.130
flat angles C4'-P-C4' energy: -41.109
flat angles P-C4'-P energy: -30.658
tors. eta vs tors. theta energy: -57.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -329.289968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.289968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.289968 (E_RNA)
where:
Base-Base interactions energy: -182.314
where: short stacking energy: -108.641
Base-Backbone interact. energy: 0.698
local terms energy: -147.674317
where:
bonds (distance) C4'-P energy: -37.887
bonds (distance) P-C4' energy: -35.188
flat angles C4'-P-C4' energy: -39.342
flat angles P-C4'-P energy: -27.815
tors. eta vs tors. theta energy: -7.443
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: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -305.405135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.405135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.405135 (E_RNA)
where:
Base-Base interactions energy: -166.710
where: short stacking energy: -105.844
Base-Backbone interact. energy: 0.606
local terms energy: -139.300820
where:
bonds (distance) C4'-P energy: -33.629
bonds (distance) P-C4' energy: -46.705
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -23.131
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -213.748160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.748160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.748160 (E_RNA)
where:
Base-Base interactions energy: -83.378
where: short stacking energy: -79.586
Base-Backbone interact. energy: 3.148
local terms energy: -133.518052
where:
bonds (distance) C4'-P energy: -41.582
bonds (distance) P-C4' energy: -41.045
flat angles C4'-P-C4' energy: -32.321
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -848.604281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.604281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.604281 (E_RNA)
where:
Base-Base interactions energy: -596.385
where: short stacking energy: -225.042
Base-Backbone interact. energy: -1.259
local terms energy: -250.960312
where:
bonds (distance) C4'-P energy: -48.016
bonds (distance) P-C4' energy: -55.111
flat angles C4'-P-C4' energy: -51.585
flat angles P-C4'-P energy: -35.283
tors. eta vs tors. theta energy: -60.965
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: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -841.801271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.801271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.801271 (E_RNA)
where:
Base-Base interactions energy: -586.733
where: short stacking energy: -259.703
Base-Backbone interact. energy: -0.897
local terms energy: -254.170478
where:
bonds (distance) C4'-P energy: -43.772
bonds (distance) P-C4' energy: -45.955
flat angles C4'-P-C4' energy: -54.193
flat angles P-C4'-P energy: -33.696
tors. eta vs tors. theta energy: -76.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -787.559725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.559725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.559725 (E_RNA)
where:
Base-Base interactions energy: -536.018
where: short stacking energy: -232.794
Base-Backbone interact. energy: 2.177
local terms energy: -253.718214
where:
bonds (distance) C4'-P energy: -49.964
bonds (distance) P-C4' energy: -45.214
flat angles C4'-P-C4' energy: -57.139
flat angles P-C4'-P energy: -34.436
tors. eta vs tors. theta energy: -66.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -732.354898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.354898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.354898 (E_RNA)
where:
Base-Base interactions energy: -498.305
where: short stacking energy: -200.647
Base-Backbone interact. energy: -3.860
local terms energy: -230.189562
where:
bonds (distance) C4'-P energy: -52.858
bonds (distance) P-C4' energy: -44.250
flat angles C4'-P-C4' energy: -51.297
flat angles P-C4'-P energy: -29.609
tors. eta vs tors. theta energy: -52.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -701.364897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.364897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.364897 (E_RNA)
where:
Base-Base interactions energy: -486.694
where: short stacking energy: -195.071
Base-Backbone interact. energy: -1.395
local terms energy: -213.275837
where:
bonds (distance) C4'-P energy: -42.845
bonds (distance) P-C4' energy: -39.595
flat angles C4'-P-C4' energy: -46.209
flat angles P-C4'-P energy: -31.290
tors. eta vs tors. theta energy: -53.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -709.451094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.451094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.451094 (E_RNA)
where:
Base-Base interactions energy: -493.686
where: short stacking energy: -219.706
Base-Backbone interact. energy: -0.063
local terms energy: -215.702292
where:
bonds (distance) C4'-P energy: -35.239
bonds (distance) P-C4' energy: -44.410
flat angles C4'-P-C4' energy: -41.119
flat angles P-C4'-P energy: -29.162
tors. eta vs tors. theta energy: -65.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -648.721832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.721832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.721832 (E_RNA)
where:
Base-Base interactions energy: -455.158
where: short stacking energy: -194.848
Base-Backbone interact. energy: -0.018
local terms energy: -193.546308
where:
bonds (distance) C4'-P energy: -43.810
bonds (distance) P-C4' energy: -40.540
flat angles C4'-P-C4' energy: -42.846
flat angles P-C4'-P energy: -21.391
tors. eta vs tors. theta energy: -44.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -347.869829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.869829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.869829 (E_RNA)
where:
Base-Base interactions energy: -196.547
where: short stacking energy: -117.550
Base-Backbone interact. energy: 2.153
local terms energy: -153.474962
where:
bonds (distance) C4'-P energy: -38.156
bonds (distance) P-C4' energy: -42.108
flat angles C4'-P-C4' energy: -48.829
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -15.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -312.891233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.891233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.891233 (E_RNA)
where:
Base-Base interactions energy: -173.745
where: short stacking energy: -87.077
Base-Backbone interact. energy: 3.471
local terms energy: -142.617421
where:
bonds (distance) C4'-P energy: -33.678
bonds (distance) P-C4' energy: -35.602
flat angles C4'-P-C4' energy: -39.247
flat angles P-C4'-P energy: -24.915
tors. eta vs tors. theta energy: -9.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -207.522819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.522819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.522819 (E_RNA)
where:
Base-Base interactions energy: -73.733
where: short stacking energy: -54.377
Base-Backbone interact. energy: -0.882
local terms energy: -132.907766
where:
bonds (distance) C4'-P energy: -35.252
bonds (distance) P-C4' energy: -50.179
flat angles C4'-P-C4' energy: -31.578
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: 3.433
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: 8
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -842.656929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.656929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.656929 (E_RNA)
where:
Base-Base interactions energy: -591.598
where: short stacking energy: -242.269
Base-Backbone interact. energy: -1.640
local terms energy: -249.418321
where:
bonds (distance) C4'-P energy: -55.569
bonds (distance) P-C4' energy: -43.103
flat angles C4'-P-C4' energy: -48.034
flat angles P-C4'-P energy: -34.552
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: 2, replica: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -850.678743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.678743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.678743 (E_RNA)
where:
Base-Base interactions energy: -583.447
where: short stacking energy: -257.042
Base-Backbone interact. energy: -0.129
local terms energy: -267.102366
where:
bonds (distance) C4'-P energy: -45.821
bonds (distance) P-C4' energy: -49.791
flat angles C4'-P-C4' energy: -52.217
flat angles P-C4'-P energy: -39.124
tors. eta vs tors. theta energy: -80.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -763.402954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.402954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.402954 (E_RNA)
where:
Base-Base interactions energy: -523.849
where: short stacking energy: -231.090
Base-Backbone interact. energy: -0.075
local terms energy: -239.478313
where:
bonds (distance) C4'-P energy: -43.649
bonds (distance) P-C4' energy: -46.301
flat angles C4'-P-C4' energy: -52.056
flat angles P-C4'-P energy: -33.523
tors. eta vs tors. theta energy: -63.950
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: 309
Temperature: 1.050000
Total energy: -730.457582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.457582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.457582 (E_RNA)
where:
Base-Base interactions energy: -487.390
where: short stacking energy: -219.771
Base-Backbone interact. energy: 0.443
local terms energy: -243.510763
where:
bonds (distance) C4'-P energy: -53.098
bonds (distance) P-C4' energy: -44.361
flat angles C4'-P-C4' energy: -49.906
flat angles P-C4'-P energy: -33.528
tors. eta vs tors. theta energy: -62.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -723.399802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.399802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.399802 (E_RNA)
where:
Base-Base interactions energy: -498.863
where: short stacking energy: -208.743
Base-Backbone interact. energy: 1.014
local terms energy: -225.550769
where:
bonds (distance) C4'-P energy: -45.073
bonds (distance) P-C4' energy: -47.360
flat angles C4'-P-C4' energy: -47.948
flat angles P-C4'-P energy: -32.443
tors. eta vs tors. theta energy: -52.727
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: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -652.075169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.075169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.075169 (E_RNA)
where:
Base-Base interactions energy: -451.124
where: short stacking energy: -186.176
Base-Backbone interact. energy: 2.098
local terms energy: -203.049702
where:
bonds (distance) C4'-P energy: -41.430
bonds (distance) P-C4' energy: -40.652
flat angles C4'-P-C4' energy: -38.714
flat angles P-C4'-P energy: -34.828
tors. eta vs tors. theta energy: -47.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -678.764442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.764442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.764442 (E_RNA)
where:
Base-Base interactions energy: -486.928
where: short stacking energy: -210.269
Base-Backbone interact. energy: 0.313
local terms energy: -192.149138
where:
bonds (distance) C4'-P energy: -39.953
bonds (distance) P-C4' energy: -34.547
flat angles C4'-P-C4' energy: -45.567
flat angles P-C4'-P energy: -21.879
tors. eta vs tors. theta energy: -50.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -368.516627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.516627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.516627 (E_RNA)
where:
Base-Base interactions energy: -205.152
where: short stacking energy: -120.164
Base-Backbone interact. energy: -0.856
local terms energy: -162.508340
where:
bonds (distance) C4'-P energy: -36.236
bonds (distance) P-C4' energy: -49.457
flat angles C4'-P-C4' energy: -35.894
flat angles P-C4'-P energy: -27.344
tors. eta vs tors. theta energy: -13.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -319.060960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.060960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.060960 (E_RNA)
where:
Base-Base interactions energy: -166.041
where: short stacking energy: -88.239
Base-Backbone interact. energy: -0.924
local terms energy: -152.096182
where:
bonds (distance) C4'-P energy: -47.160
bonds (distance) P-C4' energy: -46.607
flat angles C4'-P-C4' energy: -27.285
flat angles P-C4'-P energy: -22.122
tors. eta vs tors. theta energy: -8.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -199.184585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.184585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.184585 (E_RNA)
where:
Base-Base interactions energy: -79.766
where: short stacking energy: -66.935
Base-Backbone interact. energy: 0.397
local terms energy: -119.815171
where:
bonds (distance) C4'-P energy: -37.081
bonds (distance) P-C4' energy: -41.254
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: 1.470
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: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -856.006227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.006227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.006227 (E_RNA)
where:
Base-Base interactions energy: -596.508
where: short stacking energy: -240.270
Base-Backbone interact. energy: -2.700
local terms energy: -256.798653
where:
bonds (distance) C4'-P energy: -45.884
bonds (distance) P-C4' energy: -48.150
flat angles C4'-P-C4' energy: -57.032
flat angles P-C4'-P energy: -39.603
tors. eta vs tors. theta energy: -66.130
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: 5
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -846.436971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.436971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.436971 (E_RNA)
where:
Base-Base interactions energy: -596.846
where: short stacking energy: -253.678
Base-Backbone interact. energy: -0.477
local terms energy: -249.113604
where:
bonds (distance) C4'-P energy: -46.339
bonds (distance) P-C4' energy: -50.278
flat angles C4'-P-C4' energy: -51.143
flat angles P-C4'-P energy: -30.163
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: 3, replica: 4
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -767.868820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.868820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.868820 (E_RNA)
where:
Base-Base interactions energy: -516.578
where: short stacking energy: -219.661
Base-Backbone interact. energy: -2.171
local terms energy: -249.119013
where:
bonds (distance) C4'-P energy: -41.384
bonds (distance) P-C4' energy: -50.067
flat angles C4'-P-C4' energy: -50.540
flat angles P-C4'-P energy: -39.127
tors. eta vs tors. theta energy: -68.001
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: 4, replica: 6
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -718.093134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.093134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.093134 (E_RNA)
where:
Base-Base interactions energy: -503.215
where: short stacking energy: -214.054
Base-Backbone interact. energy: -1.406
local terms energy: -213.472653
where:
bonds (distance) C4'-P energy: -42.488
bonds (distance) P-C4' energy: -39.894
flat angles C4'-P-C4' energy: -50.229
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: -56.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -742.324992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.324992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.324992 (E_RNA)
where:
Base-Base interactions energy: -522.624
where: short stacking energy: -225.406
Base-Backbone interact. energy: -1.692
local terms energy: -218.008823
where:
bonds (distance) C4'-P energy: -43.862
bonds (distance) P-C4' energy: -39.112
flat angles C4'-P-C4' energy: -44.035
flat angles P-C4'-P energy: -29.392
tors. eta vs tors. theta energy: -61.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -683.456530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.456530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.456530 (E_RNA)
where:
Base-Base interactions energy: -475.809
where: short stacking energy: -207.697
Base-Backbone interact. energy: 2.778
local terms energy: -210.425454
where:
bonds (distance) C4'-P energy: -40.837
bonds (distance) P-C4' energy: -36.975
flat angles C4'-P-C4' energy: -49.290
flat angles P-C4'-P energy: -27.855
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: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -695.901663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.901663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.901663 (E_RNA)
where:
Base-Base interactions energy: -483.710
where: short stacking energy: -197.214
Base-Backbone interact. energy: 2.135
local terms energy: -214.327031
where:
bonds (distance) C4'-P energy: -38.667
bonds (distance) P-C4' energy: -41.614
flat angles C4'-P-C4' energy: -45.151
flat angles P-C4'-P energy: -34.040
tors. eta vs tors. theta energy: -54.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -349.930184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.930184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.930184 (E_RNA)
where:
Base-Base interactions energy: -203.487
where: short stacking energy: -116.274
Base-Backbone interact. energy: -0.873
local terms energy: -145.570650
where:
bonds (distance) C4'-P energy: -30.790
bonds (distance) P-C4' energy: -37.773
flat angles C4'-P-C4' energy: -32.507
flat angles P-C4'-P energy: -25.481
tors. eta vs tors. theta energy: -19.019
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: 2
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -344.528157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.528157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.528157 (E_RNA)
where:
Base-Base interactions energy: -186.870
where: short stacking energy: -95.511
Base-Backbone interact. energy: -1.762
local terms energy: -155.895232
where:
bonds (distance) C4'-P energy: -46.523
bonds (distance) P-C4' energy: -39.743
flat angles C4'-P-C4' energy: -32.687
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -11.460
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: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -219.080261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.080261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.080261 (E_RNA)
where:
Base-Base interactions energy: -75.863
where: short stacking energy: -47.135
Base-Backbone interact. energy: -1.649
local terms energy: -141.568152
where:
bonds (distance) C4'-P energy: -45.008
bonds (distance) P-C4' energy: -39.313
flat angles C4'-P-C4' energy: -33.378
flat angles P-C4'-P energy: -28.243
tors. eta vs tors. theta energy: 4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -848.969193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.969193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.969193 (E_RNA)
where:
Base-Base interactions energy: -589.677
where: short stacking energy: -232.112
Base-Backbone interact. energy: -1.048
local terms energy: -258.243625
where:
bonds (distance) C4'-P energy: -45.919
bonds (distance) P-C4' energy: -51.556
flat angles C4'-P-C4' energy: -53.276
flat angles P-C4'-P energy: -40.637
tors. eta vs tors. theta energy: -66.855
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: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -781.711954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.711954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.711954 (E_RNA)
where:
Base-Base interactions energy: -533.297
where: short stacking energy: -239.331
Base-Backbone interact. energy: 1.766
local terms energy: -250.181237
where:
bonds (distance) C4'-P energy: -42.798
bonds (distance) P-C4' energy: -50.531
flat angles C4'-P-C4' energy: -55.235
flat angles P-C4'-P energy: -35.608
tors. eta vs tors. theta energy: -66.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -813.697350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.697350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.697350 (E_RNA)
where:
Base-Base interactions energy: -567.636
where: short stacking energy: -245.443
Base-Backbone interact. energy: -0.925
local terms energy: -245.135652
where:
bonds (distance) C4'-P energy: -41.820
bonds (distance) P-C4' energy: -46.373
flat angles C4'-P-C4' energy: -54.173
flat angles P-C4'-P energy: -34.618
tors. eta vs tors. theta energy: -68.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -774.722555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.722555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.722555 (E_RNA)
where:
Base-Base interactions energy: -529.946
where: short stacking energy: -205.702
Base-Backbone interact. energy: -0.146
local terms energy: -244.630462
where:
bonds (distance) C4'-P energy: -47.505
bonds (distance) P-C4' energy: -50.945
flat angles C4'-P-C4' energy: -53.655
flat angles P-C4'-P energy: -34.556
tors. eta vs tors. theta energy: -57.970
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: 311
Temperature: 1.100000
Total energy: -721.137318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.137318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.137318 (E_RNA)
where:
Base-Base interactions energy: -495.045
where: short stacking energy: -222.058
Base-Backbone interact. energy: -0.029
local terms energy: -226.063265
where:
bonds (distance) C4'-P energy: -41.911
bonds (distance) P-C4' energy: -44.288
flat angles C4'-P-C4' energy: -51.190
flat angles P-C4'-P energy: -28.244
tors. eta vs tors. theta energy: -60.431
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: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -701.582915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.582915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.582915 (E_RNA)
where:
Base-Base interactions energy: -494.512
where: short stacking energy: -207.254
Base-Backbone interact. energy: 1.371
local terms energy: -208.441439
where:
bonds (distance) C4'-P energy: -41.246
bonds (distance) P-C4' energy: -41.481
flat angles C4'-P-C4' energy: -40.829
flat angles P-C4'-P energy: -24.386
tors. eta vs tors. theta energy: -60.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -661.414256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.414256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.414256 (E_RNA)
where:
Base-Base interactions energy: -448.094
where: short stacking energy: -188.798
Base-Backbone interact. energy: -0.025
local terms energy: -213.295464
where:
bonds (distance) C4'-P energy: -34.931
bonds (distance) P-C4' energy: -38.699
flat angles C4'-P-C4' energy: -43.028
flat angles P-C4'-P energy: -39.180
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: 8, replica: 2
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -403.243024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.243024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.243024 (E_RNA)
where:
Base-Base interactions energy: -250.681
where: short stacking energy: -132.035
Base-Backbone interact. energy: -1.434
local terms energy: -151.128667
where:
bonds (distance) C4'-P energy: -28.765
bonds (distance) P-C4' energy: -38.235
flat angles C4'-P-C4' energy: -40.236
flat angles P-C4'-P energy: -25.729
tors. eta vs tors. theta energy: -18.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -360.071181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.071181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.071181 (E_RNA)
where:
Base-Base interactions energy: -212.836
where: short stacking energy: -116.786
Base-Backbone interact. energy: 1.261
local terms energy: -148.496718
where:
bonds (distance) C4'-P energy: -37.275
bonds (distance) P-C4' energy: -30.829
flat angles C4'-P-C4' energy: -41.969
flat angles P-C4'-P energy: -25.044
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -266.686432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.686432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.686432 (E_RNA)
where:
Base-Base interactions energy: -129.502
where: short stacking energy: -69.718
Base-Backbone interact. energy: 1.804
local terms energy: -138.988165
where:
bonds (distance) C4'-P energy: -26.002
bonds (distance) P-C4' energy: -48.814
flat angles C4'-P-C4' energy: -40.112
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -7.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -878.260220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.260220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.260220 (E_RNA)
where:
Base-Base interactions energy: -619.105
where: short stacking energy: -245.980
Base-Backbone interact. energy: -1.067
local terms energy: -258.087929
where:
bonds (distance) C4'-P energy: -50.172
bonds (distance) P-C4' energy: -50.921
flat angles C4'-P-C4' energy: -51.106
flat angles P-C4'-P energy: -35.420
tors. eta vs tors. theta energy: -70.469
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: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -775.966148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.966148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.966148 (E_RNA)
where:
Base-Base interactions energy: -526.828
where: short stacking energy: -231.839
Base-Backbone interact. energy: -1.064
local terms energy: -248.073660
where:
bonds (distance) C4'-P energy: -46.656
bonds (distance) P-C4' energy: -50.987
flat angles C4'-P-C4' energy: -51.397
flat angles P-C4'-P energy: -38.277
tors. eta vs tors. theta energy: -60.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -779.619226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.619226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.619226 (E_RNA)
where:
Base-Base interactions energy: -540.712
where: short stacking energy: -222.401
Base-Backbone interact. energy: -1.723
local terms energy: -237.185113
where:
bonds (distance) C4'-P energy: -42.958
bonds (distance) P-C4' energy: -44.465
flat angles C4'-P-C4' energy: -53.765
flat angles P-C4'-P energy: -35.974
tors. eta vs tors. theta energy: -60.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -810.967301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.967301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.967301 (E_RNA)
where:
Base-Base interactions energy: -563.693
where: short stacking energy: -235.754
Base-Backbone interact. energy: -1.041
local terms energy: -246.232948
where:
bonds (distance) C4'-P energy: -41.950
bonds (distance) P-C4' energy: -49.536
flat angles C4'-P-C4' energy: -50.743
flat angles P-C4'-P energy: -30.392
tors. eta vs tors. theta energy: -73.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -734.781397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.781397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.781397 (E_RNA)
where:
Base-Base interactions energy: -514.780
where: short stacking energy: -219.702
Base-Backbone interact. energy: -0.174
local terms energy: -219.826932
where:
bonds (distance) C4'-P energy: -37.818
bonds (distance) P-C4' energy: -45.116
flat angles C4'-P-C4' energy: -47.003
flat angles P-C4'-P energy: -24.930
tors. eta vs tors. theta energy: -64.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -659.194424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.194424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.194424 (E_RNA)
where:
Base-Base interactions energy: -452.825
where: short stacking energy: -201.073
Base-Backbone interact. energy: -1.708
local terms energy: -204.661334
where:
bonds (distance) C4'-P energy: -47.645
bonds (distance) P-C4' energy: -42.082
flat angles C4'-P-C4' energy: -45.222
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -46.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -664.561425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.561425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.561425 (E_RNA)
where:
Base-Base interactions energy: -444.851
where: short stacking energy: -205.601
Base-Backbone interact. energy: -2.326
local terms energy: -217.384124
where:
bonds (distance) C4'-P energy: -35.438
bonds (distance) P-C4' energy: -48.942
flat angles C4'-P-C4' energy: -47.262
flat angles P-C4'-P energy: -25.767
tors. eta vs tors. theta energy: -59.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -366.998010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.998010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.998010 (E_RNA)
where:
Base-Base interactions energy: -191.118
where: short stacking energy: -116.099
Base-Backbone interact. energy: 0.180
local terms energy: -176.060084
where:
bonds (distance) C4'-P energy: -40.786
bonds (distance) P-C4' energy: -46.995
flat angles C4'-P-C4' energy: -44.161
flat angles P-C4'-P energy: -25.794
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -318.433198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.433198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.433198 (E_RNA)
where:
Base-Base interactions energy: -167.672
where: short stacking energy: -100.463
Base-Backbone interact. energy: 1.866
local terms energy: -152.627175
where:
bonds (distance) C4'-P energy: -42.319
bonds (distance) P-C4' energy: -32.923
flat angles C4'-P-C4' energy: -41.458
flat angles P-C4'-P energy: -30.242
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -209.076280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.076280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.076280 (E_RNA)
where:
Base-Base interactions energy: -82.884
where: short stacking energy: -66.859
Base-Backbone interact. energy: -0.875
local terms energy: -125.317659
where:
bonds (distance) C4'-P energy: -34.500
bonds (distance) P-C4' energy: -42.517
flat angles C4'-P-C4' energy: -36.642
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: 9.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -854.377867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.377867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.377867 (E_RNA)
where:
Base-Base interactions energy: -597.950
where: short stacking energy: -249.803
Base-Backbone interact. energy: -1.396
local terms energy: -255.031760
where:
bonds (distance) C4'-P energy: -52.726
bonds (distance) P-C4' energy: -45.263
flat angles C4'-P-C4' energy: -49.911
flat angles P-C4'-P energy: -40.351
tors. eta vs tors. theta energy: -66.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -789.070914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.070914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.070914 (E_RNA)
where:
Base-Base interactions energy: -548.998
where: short stacking energy: -219.828
Base-Backbone interact. energy: -0.795
local terms energy: -239.277803
where:
bonds (distance) C4'-P energy: -44.239
bonds (distance) P-C4' energy: -44.390
flat angles C4'-P-C4' energy: -50.705
flat angles P-C4'-P energy: -37.511
tors. eta vs tors. theta energy: -62.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -773.231644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.231644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.231644 (E_RNA)
where:
Base-Base interactions energy: -536.264
where: short stacking energy: -232.888
Base-Backbone interact. energy: -1.132
local terms energy: -235.835545
where:
bonds (distance) C4'-P energy: -37.797
bonds (distance) P-C4' energy: -41.294
flat angles C4'-P-C4' energy: -53.625
flat angles P-C4'-P energy: -35.037
tors. eta vs tors. theta energy: -68.083
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: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -796.696866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.696866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.696866 (E_RNA)
where:
Base-Base interactions energy: -546.614
where: short stacking energy: -249.655
Base-Backbone interact. energy: -0.413
local terms energy: -249.669926
where:
bonds (distance) C4'-P energy: -46.485
bonds (distance) P-C4' energy: -44.157
flat angles C4'-P-C4' energy: -43.225
flat angles P-C4'-P energy: -37.617
tors. eta vs tors. theta energy: -78.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -728.478469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.478469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.478469 (E_RNA)
where:
Base-Base interactions energy: -510.368
where: short stacking energy: -220.129
Base-Backbone interact. energy: -0.033
local terms energy: -218.077005
where:
bonds (distance) C4'-P energy: -45.663
bonds (distance) P-C4' energy: -41.710
flat angles C4'-P-C4' energy: -44.925
flat angles P-C4'-P energy: -26.564
tors. eta vs tors. theta energy: -59.216
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: 313
Temperature: 1.150000
Total energy: -648.719793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.719793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.719793 (E_RNA)
where:
Base-Base interactions energy: -424.315
where: short stacking energy: -206.348
Base-Backbone interact. energy: -0.562
local terms energy: -223.842913
where:
bonds (distance) C4'-P energy: -37.563
bonds (distance) P-C4' energy: -43.753
flat angles C4'-P-C4' energy: -49.048
flat angles P-C4'-P energy: -37.357
tors. eta vs tors. theta energy: -56.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -653.706546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.706546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.706546 (E_RNA)
where:
Base-Base interactions energy: -433.901
where: short stacking energy: -197.223
Base-Backbone interact. energy: -0.625
local terms energy: -219.179814
where:
bonds (distance) C4'-P energy: -34.871
bonds (distance) P-C4' energy: -50.229
flat angles C4'-P-C4' energy: -49.413
flat angles P-C4'-P energy: -32.419
tors. eta vs tors. theta energy: -52.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -422.612966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.612966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.612966 (E_RNA)
where:
Base-Base interactions energy: -255.001
where: short stacking energy: -118.657
Base-Backbone interact. energy: 0.007
local terms energy: -167.619009
where:
bonds (distance) C4'-P energy: -35.251
bonds (distance) P-C4' energy: -44.560
flat angles C4'-P-C4' energy: -40.412
flat angles P-C4'-P energy: -31.065
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -335.870724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.870724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.870724 (E_RNA)
where:
Base-Base interactions energy: -193.223
where: short stacking energy: -102.024
Base-Backbone interact. energy: -1.328
local terms energy: -141.319250
where:
bonds (distance) C4'-P energy: -33.299
bonds (distance) P-C4' energy: -36.180
flat angles C4'-P-C4' energy: -44.741
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -9.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -222.703822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.703822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.703822 (E_RNA)
where:
Base-Base interactions energy: -95.019
where: short stacking energy: -50.014
Base-Backbone interact. energy: 3.350
local terms energy: -131.034901
where:
bonds (distance) C4'-P energy: -41.944
bonds (distance) P-C4' energy: -34.913
flat angles C4'-P-C4' energy: -38.537
flat angles P-C4'-P energy: -22.412
tors. eta vs tors. theta energy: 6.771
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: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -847.750973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.750973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.750973 (E_RNA)
where:
Base-Base interactions energy: -604.297
where: short stacking energy: -246.640
Base-Backbone interact. energy: 0.103
local terms energy: -243.556741
where:
bonds (distance) C4'-P energy: -45.839
bonds (distance) P-C4' energy: -45.429
flat angles C4'-P-C4' energy: -51.166
flat angles P-C4'-P energy: -33.038
tors. eta vs tors. theta energy: -68.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -778.470083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.470083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.470083 (E_RNA)
where:
Base-Base interactions energy: -543.873
where: short stacking energy: -211.420
Base-Backbone interact. energy: -1.071
local terms energy: -233.525858
where:
bonds (distance) C4'-P energy: -48.028
bonds (distance) P-C4' energy: -48.118
flat angles C4'-P-C4' energy: -47.449
flat angles P-C4'-P energy: -32.264
tors. eta vs tors. theta energy: -57.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -814.544804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.544804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.544804 (E_RNA)
where:
Base-Base interactions energy: -581.765
where: short stacking energy: -249.221
Base-Backbone interact. energy: -0.877
local terms energy: -231.902490
where:
bonds (distance) C4'-P energy: -40.036
bonds (distance) P-C4' energy: -30.227
flat angles C4'-P-C4' energy: -51.505
flat angles P-C4'-P energy: -38.452
tors. eta vs tors. theta energy: -71.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -762.559948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.559948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.559948 (E_RNA)
where:
Base-Base interactions energy: -516.877
where: short stacking energy: -222.468
Base-Backbone interact. energy: -1.255
local terms energy: -244.428496
where:
bonds (distance) C4'-P energy: -43.169
bonds (distance) P-C4' energy: -41.975
flat angles C4'-P-C4' energy: -56.404
flat angles P-C4'-P energy: -34.813
tors. eta vs tors. theta energy: -68.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -721.870580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.870580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.870580 (E_RNA)
where:
Base-Base interactions energy: -500.543
where: short stacking energy: -208.266
Base-Backbone interact. energy: -1.496
local terms energy: -219.831259
where:
bonds (distance) C4'-P energy: -47.526
bonds (distance) P-C4' energy: -36.021
flat angles C4'-P-C4' energy: -44.275
flat angles P-C4'-P energy: -32.204
tors. eta vs tors. theta energy: -59.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -660.663584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.663584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.663584 (E_RNA)
where:
Base-Base interactions energy: -431.008
where: short stacking energy: -209.085
Base-Backbone interact. energy: -0.642
local terms energy: -229.013333
where:
bonds (distance) C4'-P energy: -44.398
bonds (distance) P-C4' energy: -39.033
flat angles C4'-P-C4' energy: -46.367
flat angles P-C4'-P energy: -37.628
tors. eta vs tors. theta energy: -61.587
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: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -643.421058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.421058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.421058 (E_RNA)
where:
Base-Base interactions energy: -432.573
where: short stacking energy: -190.902
Base-Backbone interact. energy: 0.529
local terms energy: -211.376983
where:
bonds (distance) C4'-P energy: -42.402
bonds (distance) P-C4' energy: -30.497
flat angles C4'-P-C4' energy: -52.508
flat angles P-C4'-P energy: -32.834
tors. eta vs tors. theta energy: -53.136
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: 314
Temperature: 1.250000
Total energy: -426.286411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.286411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.286411 (E_RNA)
where:
Base-Base interactions energy: -265.904
where: short stacking energy: -136.063
Base-Backbone interact. energy: -0.750
local terms energy: -159.632132
where:
bonds (distance) C4'-P energy: -33.323
bonds (distance) P-C4' energy: -37.426
flat angles C4'-P-C4' energy: -40.443
flat angles P-C4'-P energy: -28.878
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -323.527680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.527680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.527680 (E_RNA)
where:
Base-Base interactions energy: -186.398
where: short stacking energy: -85.229
Base-Backbone interact. energy: 1.924
local terms energy: -139.053819
where:
bonds (distance) C4'-P energy: -33.573
bonds (distance) P-C4' energy: -35.664
flat angles C4'-P-C4' energy: -33.384
flat angles P-C4'-P energy: -27.992
tors. eta vs tors. theta energy: -8.442
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: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -251.824258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.824258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.824258 (E_RNA)
where:
Base-Base interactions energy: -122.972
where: short stacking energy: -78.981
Base-Backbone interact. energy: 3.356
local terms energy: -132.208214
where:
bonds (distance) C4'-P energy: -37.386
bonds (distance) P-C4' energy: -38.970
flat angles C4'-P-C4' energy: -32.931
flat angles P-C4'-P energy: -17.628
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -843.224337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.224337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.224337 (E_RNA)
where:
Base-Base interactions energy: -599.621
where: short stacking energy: -234.143
Base-Backbone interact. energy: -1.369
local terms energy: -242.234490
where:
bonds (distance) C4'-P energy: -42.649
bonds (distance) P-C4' energy: -46.129
flat angles C4'-P-C4' energy: -53.485
flat angles P-C4'-P energy: -35.232
tors. eta vs tors. theta energy: -64.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -828.384498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.384498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.384498 (E_RNA)
where:
Base-Base interactions energy: -577.590
where: short stacking energy: -242.841
Base-Backbone interact. energy: -0.511
local terms energy: -250.282677
where:
bonds (distance) C4'-P energy: -43.397
bonds (distance) P-C4' energy: -50.255
flat angles C4'-P-C4' energy: -56.117
flat angles P-C4'-P energy: -28.449
tors. eta vs tors. theta energy: -72.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -772.566079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.566079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.566079 (E_RNA)
where:
Base-Base interactions energy: -531.781
where: short stacking energy: -215.467
Base-Backbone interact. energy: -1.523
local terms energy: -239.262052
where:
bonds (distance) C4'-P energy: -48.391
bonds (distance) P-C4' energy: -50.561
flat angles C4'-P-C4' energy: -41.574
flat angles P-C4'-P energy: -32.416
tors. eta vs tors. theta energy: -66.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -762.599855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.599855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.599855 (E_RNA)
where:
Base-Base interactions energy: -523.376
where: short stacking energy: -227.469
Base-Backbone interact. energy: -1.401
local terms energy: -237.822689
where:
bonds (distance) C4'-P energy: -38.372
bonds (distance) P-C4' energy: -34.129
flat angles C4'-P-C4' energy: -57.302
flat angles P-C4'-P energy: -35.840
tors. eta vs tors. theta energy: -72.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -724.668917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.668917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.668917 (E_RNA)
where:
Base-Base interactions energy: -513.960
where: short stacking energy: -205.238
Base-Backbone interact. energy: -4.210
local terms energy: -206.498885
where:
bonds (distance) C4'-P energy: -28.805
bonds (distance) P-C4' energy: -35.770
flat angles C4'-P-C4' energy: -53.733
flat angles P-C4'-P energy: -28.921
tors. eta vs tors. theta energy: -59.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -672.005074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.005074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.005074 (E_RNA)
where:
Base-Base interactions energy: -447.295
where: short stacking energy: -219.435
Base-Backbone interact. energy: 0.276
local terms energy: -224.986041
where:
bonds (distance) C4'-P energy: -37.413
bonds (distance) P-C4' energy: -48.288
flat angles C4'-P-C4' energy: -47.707
flat angles P-C4'-P energy: -34.301
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: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -630.325393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.325393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.325393 (E_RNA)
where:
Base-Base interactions energy: -420.824
where: short stacking energy: -206.115
Base-Backbone interact. energy: -1.094
local terms energy: -208.408290
where:
bonds (distance) C4'-P energy: -40.405
bonds (distance) P-C4' energy: -36.491
flat angles C4'-P-C4' energy: -45.076
flat angles P-C4'-P energy: -24.978
tors. eta vs tors. theta energy: -61.458
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: 8, replica: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -436.507954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.507954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.507954 (E_RNA)
where:
Base-Base interactions energy: -276.674
where: short stacking energy: -124.768
Base-Backbone interact. energy: 0.266
local terms energy: -160.099763
where:
bonds (distance) C4'-P energy: -24.930
bonds (distance) P-C4' energy: -48.151
flat angles C4'-P-C4' energy: -44.979
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -344.972347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.972347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.972347 (E_RNA)
where:
Base-Base interactions energy: -200.277
where: short stacking energy: -107.546
Base-Backbone interact. energy: -1.887
local terms energy: -142.807553
where:
bonds (distance) C4'-P energy: -30.183
bonds (distance) P-C4' energy: -34.537
flat angles C4'-P-C4' energy: -39.040
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -17.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -206.722206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.722206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.722206 (E_RNA)
where:
Base-Base interactions energy: -70.359
where: short stacking energy: -67.406
Base-Backbone interact. energy: 1.592
local terms energy: -137.955213
where:
bonds (distance) C4'-P energy: -32.954
bonds (distance) P-C4' energy: -45.646
flat angles C4'-P-C4' energy: -29.422
flat angles P-C4'-P energy: -28.442
tors. eta vs tors. theta energy: -1.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -857.955362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.955362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.955362 (E_RNA)
where:
Base-Base interactions energy: -604.694
where: short stacking energy: -254.355
Base-Backbone interact. energy: -1.231
local terms energy: -252.030205
where:
bonds (distance) C4'-P energy: -51.540
bonds (distance) P-C4' energy: -52.153
flat angles C4'-P-C4' energy: -44.943
flat angles P-C4'-P energy: -38.758
tors. eta vs tors. theta energy: -64.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -836.632098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.632098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.632098 (E_RNA)
where:
Base-Base interactions energy: -590.291
where: short stacking energy: -227.620
Base-Backbone interact. energy: -0.934
local terms energy: -245.406400
where:
bonds (distance) C4'-P energy: -44.150
bonds (distance) P-C4' energy: -40.812
flat angles C4'-P-C4' energy: -53.724
flat angles P-C4'-P energy: -40.952
tors. eta vs tors. theta energy: -65.769
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: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -774.665123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.665123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.665123 (E_RNA)
where:
Base-Base interactions energy: -549.062
where: short stacking energy: -217.875
Base-Backbone interact. energy: -0.625
local terms energy: -224.978309
where:
bonds (distance) C4'-P energy: -33.760
bonds (distance) P-C4' energy: -47.046
flat angles C4'-P-C4' energy: -46.915
flat angles P-C4'-P energy: -32.605
tors. eta vs tors. theta energy: -64.652
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: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -755.583586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.583586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.583586 (E_RNA)
where:
Base-Base interactions energy: -526.110
where: short stacking energy: -220.168
Base-Backbone interact. energy: -0.519
local terms energy: -228.954374
where:
bonds (distance) C4'-P energy: -42.329
bonds (distance) P-C4' energy: -46.077
flat angles C4'-P-C4' energy: -46.072
flat angles P-C4'-P energy: -34.615
tors. eta vs tors. theta energy: -59.861
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: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -726.669887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.669887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.669887 (E_RNA)
where:
Base-Base interactions energy: -504.140
where: short stacking energy: -209.178
Base-Backbone interact. energy: -0.845
local terms energy: -221.685197
where:
bonds (distance) C4'-P energy: -40.202
bonds (distance) P-C4' energy: -34.330
flat angles C4'-P-C4' energy: -47.290
flat angles P-C4'-P energy: -37.185
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: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -651.352434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.352434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.352434 (E_RNA)
where:
Base-Base interactions energy: -465.600
where: short stacking energy: -201.637
Base-Backbone interact. energy: -0.538
local terms energy: -185.214624
where:
bonds (distance) C4'-P energy: -33.709
bonds (distance) P-C4' energy: -35.459
flat angles C4'-P-C4' energy: -45.430
flat angles P-C4'-P energy: -29.018
tors. eta vs tors. theta energy: -41.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -633.088687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.088687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.088687 (E_RNA)
where:
Base-Base interactions energy: -409.052
where: short stacking energy: -179.265
Base-Backbone interact. energy: 0.030
local terms energy: -224.067239
where:
bonds (distance) C4'-P energy: -43.991
bonds (distance) P-C4' energy: -41.460
flat angles C4'-P-C4' energy: -48.165
flat angles P-C4'-P energy: -35.723
tors. eta vs tors. theta energy: -54.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -439.550820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.550820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.550820 (E_RNA)
where:
Base-Base interactions energy: -252.377
where: short stacking energy: -114.418
Base-Backbone interact. energy: -0.884
local terms energy: -186.289556
where:
bonds (distance) C4'-P energy: -47.106
bonds (distance) P-C4' energy: -44.611
flat angles C4'-P-C4' energy: -50.181
flat angles P-C4'-P energy: -27.249
tors. eta vs tors. theta energy: -17.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -302.480520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.480520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.480520 (E_RNA)
where:
Base-Base interactions energy: -169.308
where: short stacking energy: -89.688
Base-Backbone interact. energy: -0.114
local terms energy: -133.058238
where:
bonds (distance) C4'-P energy: -32.222
bonds (distance) P-C4' energy: -36.881
flat angles C4'-P-C4' energy: -31.392
flat angles P-C4'-P energy: -26.447
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -208.065667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.065667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.065667 (E_RNA)
where:
Base-Base interactions energy: -86.005
where: short stacking energy: -65.402
Base-Backbone interact. energy: -0.751
local terms energy: -121.309551
where:
bonds (distance) C4'-P energy: -33.905
bonds (distance) P-C4' energy: -40.648
flat angles C4'-P-C4' energy: -28.115
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -1.606
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: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -848.689884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.689884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.689884 (E_RNA)
where:
Base-Base interactions energy: -594.999
where: short stacking energy: -247.641
Base-Backbone interact. energy: -1.361
local terms energy: -252.329826
where:
bonds (distance) C4'-P energy: -43.707
bonds (distance) P-C4' energy: -48.818
flat angles C4'-P-C4' energy: -49.116
flat angles P-C4'-P energy: -40.186
tors. eta vs tors. theta energy: -70.504
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: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -835.811188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.811188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.811188 (E_RNA)
where:
Base-Base interactions energy: -577.475
where: short stacking energy: -246.400
Base-Backbone interact. energy: -0.290
local terms energy: -258.046098
where:
bonds (distance) C4'-P energy: -44.707
bonds (distance) P-C4' energy: -50.926
flat angles C4'-P-C4' energy: -54.069
flat angles P-C4'-P energy: -33.924
tors. eta vs tors. theta energy: -74.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -746.445363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.445363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.445363 (E_RNA)
where:
Base-Base interactions energy: -542.366
where: short stacking energy: -215.073
Base-Backbone interact. energy: 0.392
local terms energy: -204.471418
where:
bonds (distance) C4'-P energy: -35.661
bonds (distance) P-C4' energy: -38.047
flat angles C4'-P-C4' energy: -52.445
flat angles P-C4'-P energy: -26.587
tors. eta vs tors. theta energy: -51.732
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: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -732.705529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.705529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.705529 (E_RNA)
where:
Base-Base interactions energy: -509.914
where: short stacking energy: -203.858
Base-Backbone interact. energy: -0.754
local terms energy: -222.038315
where:
bonds (distance) C4'-P energy: -45.930
bonds (distance) P-C4' energy: -39.044
flat angles C4'-P-C4' energy: -36.561
flat angles P-C4'-P energy: -40.830
tors. eta vs tors. theta energy: -59.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -719.161911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.161911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.161911 (E_RNA)
where:
Base-Base interactions energy: -492.639
where: short stacking energy: -210.661
Base-Backbone interact. energy: 0.021
local terms energy: -226.544154
where:
bonds (distance) C4'-P energy: -45.420
bonds (distance) P-C4' energy: -41.649
flat angles C4'-P-C4' energy: -44.221
flat angles P-C4'-P energy: -35.106
tors. eta vs tors. theta energy: -60.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -690.679795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.679795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.679795 (E_RNA)
where:
Base-Base interactions energy: -459.509
where: short stacking energy: -212.264
Base-Backbone interact. energy: -1.207
local terms energy: -229.964590
where:
bonds (distance) C4'-P energy: -39.770
bonds (distance) P-C4' energy: -44.863
flat angles C4'-P-C4' energy: -51.396
flat angles P-C4'-P energy: -28.782
tors. eta vs tors. theta energy: -65.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -637.618652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.618652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.618652 (E_RNA)
where:
Base-Base interactions energy: -443.093
where: short stacking energy: -193.658
Base-Backbone interact. energy: 0.351
local terms energy: -194.876425
where:
bonds (distance) C4'-P energy: -39.287
bonds (distance) P-C4' energy: -41.069
flat angles C4'-P-C4' energy: -42.418
flat angles P-C4'-P energy: -25.432
tors. eta vs tors. theta energy: -46.671
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: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -378.879164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.879164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.879164 (E_RNA)
where:
Base-Base interactions energy: -208.566
where: short stacking energy: -108.678
Base-Backbone interact. energy: 1.261
local terms energy: -171.574340
where:
bonds (distance) C4'-P energy: -46.021
bonds (distance) P-C4' energy: -40.156
flat angles C4'-P-C4' energy: -40.898
flat angles P-C4'-P energy: -30.282
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -396.029594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.029594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.029594 (E_RNA)
where:
Base-Base interactions energy: -238.624
where: short stacking energy: -119.876
Base-Backbone interact. energy: -0.550
local terms energy: -156.855524
where:
bonds (distance) C4'-P energy: -43.473
bonds (distance) P-C4' energy: -38.279
flat angles C4'-P-C4' energy: -29.074
flat angles P-C4'-P energy: -22.869
tors. eta vs tors. theta energy: -23.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -224.432253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.432253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.432253 (E_RNA)
where:
Base-Base interactions energy: -80.409
where: short stacking energy: -77.029
Base-Backbone interact. energy: -0.573
local terms energy: -143.449920
where:
bonds (distance) C4'-P energy: -39.852
bonds (distance) P-C4' energy: -40.418
flat angles C4'-P-C4' energy: -38.020
flat angles P-C4'-P energy: -20.443
tors. eta vs tors. theta energy: -4.716
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: 1, replica: 8
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -856.938257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.938257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.938257 (E_RNA)
where:
Base-Base interactions energy: -599.737
where: short stacking energy: -245.096
Base-Backbone interact. energy: -0.901
local terms energy: -256.300871
where:
bonds (distance) C4'-P energy: -49.871
bonds (distance) P-C4' energy: -47.045
flat angles C4'-P-C4' energy: -52.125
flat angles P-C4'-P energy: -37.978
tors. eta vs tors. theta energy: -69.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -828.731014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.731014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.731014 (E_RNA)
where:
Base-Base interactions energy: -573.634
where: short stacking energy: -243.489
Base-Backbone interact. energy: -1.581
local terms energy: -253.516388
where:
bonds (distance) C4'-P energy: -49.120
bonds (distance) P-C4' energy: -44.349
flat angles C4'-P-C4' energy: -47.316
flat angles P-C4'-P energy: -39.555
tors. eta vs tors. theta energy: -73.176
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: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -760.161843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.161843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.161843 (E_RNA)
where:
Base-Base interactions energy: -531.754
where: short stacking energy: -212.987
Base-Backbone interact. energy: -1.886
local terms energy: -226.521516
where:
bonds (distance) C4'-P energy: -42.820
bonds (distance) P-C4' energy: -46.740
flat angles C4'-P-C4' energy: -47.389
flat angles P-C4'-P energy: -32.655
tors. eta vs tors. theta energy: -56.917
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: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -743.085105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.085105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.085105 (E_RNA)
where:
Base-Base interactions energy: -491.777
where: short stacking energy: -222.617
Base-Backbone interact. energy: -0.689
local terms energy: -250.618253
where:
bonds (distance) C4'-P energy: -44.644
bonds (distance) P-C4' energy: -54.231
flat angles C4'-P-C4' energy: -47.894
flat angles P-C4'-P energy: -38.980
tors. eta vs tors. theta energy: -64.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -698.063949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.063949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.063949 (E_RNA)
where:
Base-Base interactions energy: -475.633
where: short stacking energy: -228.062
Base-Backbone interact. energy: 0.634
local terms energy: -223.064166
where:
bonds (distance) C4'-P energy: -41.331
bonds (distance) P-C4' energy: -42.807
flat angles C4'-P-C4' energy: -46.549
flat angles P-C4'-P energy: -29.835
tors. eta vs tors. theta energy: -62.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -728.628069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.628069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.628069 (E_RNA)
where:
Base-Base interactions energy: -516.287
where: short stacking energy: -217.434
Base-Backbone interact. energy: 1.165
local terms energy: -213.505881
where:
bonds (distance) C4'-P energy: -32.545
bonds (distance) P-C4' energy: -37.892
flat angles C4'-P-C4' energy: -47.311
flat angles P-C4'-P energy: -35.219
tors. eta vs tors. theta energy: -60.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -640.394521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.394521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.394521 (E_RNA)
where:
Base-Base interactions energy: -439.304
where: short stacking energy: -196.076
Base-Backbone interact. energy: 0.223
local terms energy: -201.313507
where:
bonds (distance) C4'-P energy: -35.336
bonds (distance) P-C4' energy: -38.883
flat angles C4'-P-C4' energy: -47.028
flat angles P-C4'-P energy: -28.557
tors. eta vs tors. theta energy: -51.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -342.579531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.579531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.579531 (E_RNA)
where:
Base-Base interactions energy: -185.363
where: short stacking energy: -109.985
Base-Backbone interact. energy: -1.228
local terms energy: -155.988722
where:
bonds (distance) C4'-P energy: -43.948
bonds (distance) P-C4' energy: -45.757
flat angles C4'-P-C4' energy: -30.992
flat angles P-C4'-P energy: -25.548
tors. eta vs tors. theta energy: -9.744
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: 9, replica: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -406.462546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.462546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.462546 (E_RNA)
where:
Base-Base interactions energy: -236.164
where: short stacking energy: -130.203
Base-Backbone interact. energy: -0.291
local terms energy: -170.007272
where:
bonds (distance) C4'-P energy: -34.004
bonds (distance) P-C4' energy: -47.113
flat angles C4'-P-C4' energy: -44.836
flat angles P-C4'-P energy: -21.227
tors. eta vs tors. theta energy: -22.827
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: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -262.557622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.557622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.557622 (E_RNA)
where:
Base-Base interactions energy: -126.280
where: short stacking energy: -67.786
Base-Backbone interact. energy: -0.321
local terms energy: -135.957175
where:
bonds (distance) C4'-P energy: -41.036
bonds (distance) P-C4' energy: -49.021
flat angles C4'-P-C4' energy: -39.467
flat angles P-C4'-P energy: -19.465
tors. eta vs tors. theta energy: 13.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -848.903695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.903695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.903695 (E_RNA)
where:
Base-Base interactions energy: -606.884
where: short stacking energy: -249.702
Base-Backbone interact. energy: 0.374
local terms energy: -242.393419
where:
bonds (distance) C4'-P energy: -42.822
bonds (distance) P-C4' energy: -37.197
flat angles C4'-P-C4' energy: -49.086
flat angles P-C4'-P energy: -42.836
tors. eta vs tors. theta energy: -70.453
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: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -831.191073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.191073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.191073 (E_RNA)
where:
Base-Base interactions energy: -570.718
where: short stacking energy: -237.459
Base-Backbone interact. energy: 0.456
local terms energy: -260.929109
where:
bonds (distance) C4'-P energy: -49.818
bonds (distance) P-C4' energy: -49.709
flat angles C4'-P-C4' energy: -50.538
flat angles P-C4'-P energy: -39.495
tors. eta vs tors. theta energy: -71.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -774.583202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.583202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.583202 (E_RNA)
where:
Base-Base interactions energy: -545.542
where: short stacking energy: -219.319
Base-Backbone interact. energy: -3.262
local terms energy: -225.778690
where:
bonds (distance) C4'-P energy: -47.606
bonds (distance) P-C4' energy: -39.115
flat angles C4'-P-C4' energy: -50.263
flat angles P-C4'-P energy: -28.403
tors. eta vs tors. theta energy: -60.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -740.079255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.079255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.079255 (E_RNA)
where:
Base-Base interactions energy: -497.255
where: short stacking energy: -218.467
Base-Backbone interact. energy: -0.539
local terms energy: -242.285260
where:
bonds (distance) C4'-P energy: -48.354
bonds (distance) P-C4' energy: -44.847
flat angles C4'-P-C4' energy: -52.345
flat angles P-C4'-P energy: -31.624
tors. eta vs tors. theta energy: -65.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -713.573491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.573491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.573491 (E_RNA)
where:
Base-Base interactions energy: -501.434
where: short stacking energy: -217.775
Base-Backbone interact. energy: -0.874
local terms energy: -211.264659
where:
bonds (distance) C4'-P energy: -39.136
bonds (distance) P-C4' energy: -36.702
flat angles C4'-P-C4' energy: -50.137
flat angles P-C4'-P energy: -25.230
tors. eta vs tors. theta energy: -60.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -644.584562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.584562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.584562 (E_RNA)
where:
Base-Base interactions energy: -437.600
where: short stacking energy: -192.418
Base-Backbone interact. energy: -0.755
local terms energy: -206.229373
where:
bonds (distance) C4'-P energy: -36.302
bonds (distance) P-C4' energy: -51.534
flat angles C4'-P-C4' energy: -41.373
flat angles P-C4'-P energy: -23.416
tors. eta vs tors. theta energy: -53.605
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: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -675.054900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.054900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.054900 (E_RNA)
where:
Base-Base interactions energy: -488.486
where: short stacking energy: -198.740
Base-Backbone interact. energy: 1.391
local terms energy: -187.959916
where:
bonds (distance) C4'-P energy: -36.004
bonds (distance) P-C4' energy: -32.646
flat angles C4'-P-C4' energy: -46.069
flat angles P-C4'-P energy: -20.209
tors. eta vs tors. theta energy: -53.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -429.269584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.269584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.269584 (E_RNA)
where:
Base-Base interactions energy: -280.768
where: short stacking energy: -144.933
Base-Backbone interact. energy: 1.463
local terms energy: -149.964565
where:
bonds (distance) C4'-P energy: -32.403
bonds (distance) P-C4' energy: -38.534
flat angles C4'-P-C4' energy: -35.258
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -31.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -335.176031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.176031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.176031 (E_RNA)
where:
Base-Base interactions energy: -177.238
where: short stacking energy: -90.383
Base-Backbone interact. energy: -0.519
local terms energy: -157.419215
where:
bonds (distance) C4'-P energy: -34.755
bonds (distance) P-C4' energy: -34.436
flat angles C4'-P-C4' energy: -44.047
flat angles P-C4'-P energy: -24.729
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: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -215.049302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.049302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.049302 (E_RNA)
where:
Base-Base interactions energy: -71.079
where: short stacking energy: -37.083
Base-Backbone interact. energy: -0.710
local terms energy: -143.260963
where:
bonds (distance) C4'-P energy: -47.217
bonds (distance) P-C4' energy: -36.818
flat angles C4'-P-C4' energy: -48.993
flat angles P-C4'-P energy: -19.200
tors. eta vs tors. theta energy: 8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -843.974859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.974859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.974859 (E_RNA)
where:
Base-Base interactions energy: -581.494
where: short stacking energy: -261.868
Base-Backbone interact. energy: 0.401
local terms energy: -262.882580
where:
bonds (distance) C4'-P energy: -48.245
bonds (distance) P-C4' energy: -48.024
flat angles C4'-P-C4' energy: -55.049
flat angles P-C4'-P energy: -31.090
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: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -828.925236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.925236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.925236 (E_RNA)
where:
Base-Base interactions energy: -590.533
where: short stacking energy: -241.195
Base-Backbone interact. energy: -1.490
local terms energy: -236.902133
where:
bonds (distance) C4'-P energy: -39.591
bonds (distance) P-C4' energy: -40.308
flat angles C4'-P-C4' energy: -48.962
flat angles P-C4'-P energy: -37.385
tors. eta vs tors. theta energy: -70.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -769.946924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.946924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.946924 (E_RNA)
where:
Base-Base interactions energy: -521.117
where: short stacking energy: -240.901
Base-Backbone interact. energy: -0.278
local terms energy: -248.551779
where:
bonds (distance) C4'-P energy: -47.194
bonds (distance) P-C4' energy: -39.369
flat angles C4'-P-C4' energy: -51.101
flat angles P-C4'-P energy: -33.815
tors. eta vs tors. theta energy: -77.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -751.577966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.577966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.577966 (E_RNA)
where:
Base-Base interactions energy: -523.923
where: short stacking energy: -210.699
Base-Backbone interact. energy: -2.092
local terms energy: -225.562693
where:
bonds (distance) C4'-P energy: -52.070
bonds (distance) P-C4' energy: -42.369
flat angles C4'-P-C4' energy: -50.465
flat angles P-C4'-P energy: -23.828
tors. eta vs tors. theta energy: -56.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -708.626238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.626238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.626238 (E_RNA)
where:
Base-Base interactions energy: -479.871
where: short stacking energy: -192.438
Base-Backbone interact. energy: -0.222
local terms energy: -228.532574
where:
bonds (distance) C4'-P energy: -45.316
bonds (distance) P-C4' energy: -44.708
flat angles C4'-P-C4' energy: -50.186
flat angles P-C4'-P energy: -31.324
tors. eta vs tors. theta energy: -56.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -640.768939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.768939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.768939 (E_RNA)
where:
Base-Base interactions energy: -428.670
where: short stacking energy: -198.767
Base-Backbone interact. energy: -1.282
local terms energy: -210.816840
where:
bonds (distance) C4'-P energy: -44.029
bonds (distance) P-C4' energy: -41.450
flat angles C4'-P-C4' energy: -50.864
flat angles P-C4'-P energy: -26.362
tors. eta vs tors. theta energy: -48.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -650.463632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.463632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.463632 (E_RNA)
where:
Base-Base interactions energy: -448.549
where: short stacking energy: -181.642
Base-Backbone interact. energy: -0.303
local terms energy: -201.611441
where:
bonds (distance) C4'-P energy: -37.202
bonds (distance) P-C4' energy: -47.183
flat angles C4'-P-C4' energy: -45.002
flat angles P-C4'-P energy: -25.198
tors. eta vs tors. theta energy: -47.027
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: 2
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -463.048939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.048939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.048939 (E_RNA)
where:
Base-Base interactions energy: -280.372
where: short stacking energy: -128.575
Base-Backbone interact. energy: -0.333
local terms energy: -182.343975
where:
bonds (distance) C4'-P energy: -44.761
bonds (distance) P-C4' energy: -41.897
flat angles C4'-P-C4' energy: -43.181
flat angles P-C4'-P energy: -26.709
tors. eta vs tors. theta energy: -25.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -320.126289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.126289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.126289 (E_RNA)
where:
Base-Base interactions energy: -171.653
where: short stacking energy: -106.145
Base-Backbone interact. energy: 0.104
local terms energy: -148.577594
where:
bonds (distance) C4'-P energy: -39.713
bonds (distance) P-C4' energy: -32.137
flat angles C4'-P-C4' energy: -39.429
flat angles P-C4'-P energy: -24.410
tors. eta vs tors. theta energy: -12.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -289.228642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.228642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.228642 (E_RNA)
where:
Base-Base interactions energy: -152.375
where: short stacking energy: -86.026
Base-Backbone interact. energy: -1.048
local terms energy: -135.806270
where:
bonds (distance) C4'-P energy: -46.326
bonds (distance) P-C4' energy: -33.403
flat angles C4'-P-C4' energy: -27.247
flat angles P-C4'-P energy: -25.697
tors. eta vs tors. theta energy: -3.134
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: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -853.020964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.020964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.020964 (E_RNA)
where:
Base-Base interactions energy: -594.508
where: short stacking energy: -267.921
Base-Backbone interact. energy: -0.675
local terms energy: -257.837871
where:
bonds (distance) C4'-P energy: -51.480
bonds (distance) P-C4' energy: -47.783
flat angles C4'-P-C4' energy: -51.707
flat angles P-C4'-P energy: -26.322
tors. eta vs tors. theta energy: -80.546
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: 2, replica: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -841.947055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.947055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.947055 (E_RNA)
where:
Base-Base interactions energy: -608.662
where: short stacking energy: -241.465
Base-Backbone interact. energy: -0.678
local terms energy: -232.606988
where:
bonds (distance) C4'-P energy: -44.825
bonds (distance) P-C4' energy: -42.384
flat angles C4'-P-C4' energy: -42.878
flat angles P-C4'-P energy: -37.143
tors. eta vs tors. theta energy: -65.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -783.074495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.074495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.074495 (E_RNA)
where:
Base-Base interactions energy: -530.925
where: short stacking energy: -228.830
Base-Backbone interact. energy: -0.329
local terms energy: -251.820193
where:
bonds (distance) C4'-P energy: -45.125
bonds (distance) P-C4' energy: -44.934
flat angles C4'-P-C4' energy: -48.224
flat angles P-C4'-P energy: -41.646
tors. eta vs tors. theta energy: -71.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -753.579465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.579465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.579465 (E_RNA)
where:
Base-Base interactions energy: -519.358
where: short stacking energy: -209.400
Base-Backbone interact. energy: 1.823
local terms energy: -236.044641
where:
bonds (distance) C4'-P energy: -39.144
bonds (distance) P-C4' energy: -52.268
flat angles C4'-P-C4' energy: -49.113
flat angles P-C4'-P energy: -39.335
tors. eta vs tors. theta energy: -56.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -708.858936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.858936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.858936 (E_RNA)
where:
Base-Base interactions energy: -482.308
where: short stacking energy: -194.204
Base-Backbone interact. energy: -0.635
local terms energy: -225.916850
where:
bonds (distance) C4'-P energy: -44.474
bonds (distance) P-C4' energy: -44.485
flat angles C4'-P-C4' energy: -44.173
flat angles P-C4'-P energy: -34.355
tors. eta vs tors. theta energy: -58.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -695.829026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.829026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.829026 (E_RNA)
where:
Base-Base interactions energy: -472.150
where: short stacking energy: -198.506
Base-Backbone interact. energy: -0.626
local terms energy: -223.053017
where:
bonds (distance) C4'-P energy: -41.488
bonds (distance) P-C4' energy: -43.433
flat angles C4'-P-C4' energy: -48.558
flat angles P-C4'-P energy: -32.296
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: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -648.139844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.139844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.139844 (E_RNA)
where:
Base-Base interactions energy: -444.827
where: short stacking energy: -207.942
Base-Backbone interact. energy: -0.397
local terms energy: -202.916028
where:
bonds (distance) C4'-P energy: -36.404
bonds (distance) P-C4' energy: -42.472
flat angles C4'-P-C4' energy: -38.780
flat angles P-C4'-P energy: -31.115
tors. eta vs tors. theta energy: -54.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -490.934303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.934303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.934303 (E_RNA)
where:
Base-Base interactions energy: -313.953
where: short stacking energy: -159.162
Base-Backbone interact. energy: -0.329
local terms energy: -176.652525
where:
bonds (distance) C4'-P energy: -43.102
bonds (distance) P-C4' energy: -36.028
flat angles C4'-P-C4' energy: -44.484
flat angles P-C4'-P energy: -27.539
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: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -348.072877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.072877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.072877 (E_RNA)
where:
Base-Base interactions energy: -197.935
where: short stacking energy: -114.027
Base-Backbone interact. energy: -0.251
local terms energy: -149.886952
where:
bonds (distance) C4'-P energy: -30.722
bonds (distance) P-C4' energy: -54.113
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -26.981
tors. eta vs tors. theta energy: -15.541
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: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -261.963430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.963430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.963430 (E_RNA)
where:
Base-Base interactions energy: -124.779
where: short stacking energy: -76.496
Base-Backbone interact. energy: 0.085
local terms energy: -137.269291
where:
bonds (distance) C4'-P energy: -34.521
bonds (distance) P-C4' energy: -39.496
flat angles C4'-P-C4' energy: -43.454
flat angles P-C4'-P energy: -19.329
tors. eta vs tors. theta energy: -0.469
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: 8
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -853.187055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.187055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.187055 (E_RNA)
where:
Base-Base interactions energy: -614.300
where: short stacking energy: -237.989
Base-Backbone interact. energy: -1.748
local terms energy: -237.139940
where:
bonds (distance) C4'-P energy: -42.023
bonds (distance) P-C4' energy: -49.212
flat angles C4'-P-C4' energy: -54.274
flat angles P-C4'-P energy: -28.802
tors. eta vs tors. theta energy: -62.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -843.877038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.877038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.877038 (E_RNA)
where:
Base-Base interactions energy: -576.369
where: short stacking energy: -254.426
Base-Backbone interact. energy: -0.638
local terms energy: -266.870617
where:
bonds (distance) C4'-P energy: -48.977
bonds (distance) P-C4' energy: -44.682
flat angles C4'-P-C4' energy: -55.901
flat angles P-C4'-P energy: -33.833
tors. eta vs tors. theta energy: -83.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -775.530852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.530852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.530852 (E_RNA)
where:
Base-Base interactions energy: -559.301
where: short stacking energy: -209.306
Base-Backbone interact. energy: -1.026
local terms energy: -215.204343
where:
bonds (distance) C4'-P energy: -37.063
bonds (distance) P-C4' energy: -44.290
flat angles C4'-P-C4' energy: -46.695
flat angles P-C4'-P energy: -28.049
tors. eta vs tors. theta energy: -59.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -776.583464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.583464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.583464 (E_RNA)
where:
Base-Base interactions energy: -535.020
where: short stacking energy: -234.706
Base-Backbone interact. energy: -0.330
local terms energy: -241.233311
where:
bonds (distance) C4'-P energy: -48.421
bonds (distance) P-C4' energy: -40.626
flat angles C4'-P-C4' energy: -48.674
flat angles P-C4'-P energy: -34.482
tors. eta vs tors. theta energy: -69.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -708.106733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.106733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.106733 (E_RNA)
where:
Base-Base interactions energy: -476.056
where: short stacking energy: -208.345
Base-Backbone interact. energy: -1.030
local terms energy: -231.020719
where:
bonds (distance) C4'-P energy: -42.472
bonds (distance) P-C4' energy: -42.341
flat angles C4'-P-C4' energy: -51.815
flat angles P-C4'-P energy: -35.283
tors. eta vs tors. theta energy: -59.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -694.818520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.818520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.818520 (E_RNA)
where:
Base-Base interactions energy: -475.069
where: short stacking energy: -182.512
Base-Backbone interact. energy: -0.623
local terms energy: -219.125866
where:
bonds (distance) C4'-P energy: -44.517
bonds (distance) P-C4' energy: -40.152
flat angles C4'-P-C4' energy: -45.687
flat angles P-C4'-P energy: -35.067
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: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -652.518104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.518104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.518104 (E_RNA)
where:
Base-Base interactions energy: -444.048
where: short stacking energy: -202.876
Base-Backbone interact. energy: -1.122
local terms energy: -207.348309
where:
bonds (distance) C4'-P energy: -37.775
bonds (distance) P-C4' energy: -34.981
flat angles C4'-P-C4' energy: -48.334
flat angles P-C4'-P energy: -33.487
tors. eta vs tors. theta energy: -52.772
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: 2
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -458.175507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.175507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.175507 (E_RNA)
where:
Base-Base interactions energy: -272.467
where: short stacking energy: -143.770
Base-Backbone interact. energy: -0.402
local terms energy: -185.306156
where:
bonds (distance) C4'-P energy: -45.259
bonds (distance) P-C4' energy: -44.662
flat angles C4'-P-C4' energy: -31.650
flat angles P-C4'-P energy: -25.575
tors. eta vs tors. theta energy: -38.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -325.490655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.490655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.490655 (E_RNA)
where:
Base-Base interactions energy: -192.505
where: short stacking energy: -84.152
Base-Backbone interact. energy: -0.766
local terms energy: -132.219471
where:
bonds (distance) C4'-P energy: -31.211
bonds (distance) P-C4' energy: -38.867
flat angles C4'-P-C4' energy: -25.534
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: -19.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -306.194744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.194744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.194744 (E_RNA)
where:
Base-Base interactions energy: -174.163
where: short stacking energy: -82.793
Base-Backbone interact. energy: -1.495
local terms energy: -130.536189
where:
bonds (distance) C4'-P energy: -35.309
bonds (distance) P-C4' energy: -40.238
flat angles C4'-P-C4' energy: -37.229
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -858.072440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.072440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.072440 (E_RNA)
where:
Base-Base interactions energy: -602.432
where: short stacking energy: -244.547
Base-Backbone interact. energy: -0.350
local terms energy: -255.290010
where:
bonds (distance) C4'-P energy: -44.701
bonds (distance) P-C4' energy: -45.784
flat angles C4'-P-C4' energy: -51.854
flat angles P-C4'-P energy: -40.049
tors. eta vs tors. theta energy: -72.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -823.979390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.979390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.979390 (E_RNA)
where:
Base-Base interactions energy: -581.418
where: short stacking energy: -246.299
Base-Backbone interact. energy: -0.213
local terms energy: -242.347869
where:
bonds (distance) C4'-P energy: -44.673
bonds (distance) P-C4' energy: -43.884
flat angles C4'-P-C4' energy: -46.408
flat angles P-C4'-P energy: -32.711
tors. eta vs tors. theta energy: -74.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -779.122083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.122083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.122083 (E_RNA)
where:
Base-Base interactions energy: -543.897
where: short stacking energy: -224.297
Base-Backbone interact. energy: -0.788
local terms energy: -234.437848
where:
bonds (distance) C4'-P energy: -39.344
bonds (distance) P-C4' energy: -39.273
flat angles C4'-P-C4' energy: -54.565
flat angles P-C4'-P energy: -31.043
tors. eta vs tors. theta energy: -70.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -780.895947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.895947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.895947 (E_RNA)
where:
Base-Base interactions energy: -537.068
where: short stacking energy: -226.966
Base-Backbone interact. energy: -0.368
local terms energy: -243.460684
where:
bonds (distance) C4'-P energy: -41.112
bonds (distance) P-C4' energy: -47.498
flat angles C4'-P-C4' energy: -51.431
flat angles P-C4'-P energy: -41.512
tors. eta vs tors. theta energy: -61.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -727.706184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.706184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.706184 (E_RNA)
where:
Base-Base interactions energy: -492.992
where: short stacking energy: -214.606
Base-Backbone interact. energy: -1.391
local terms energy: -233.323811
where:
bonds (distance) C4'-P energy: -41.141
bonds (distance) P-C4' energy: -43.465
flat angles C4'-P-C4' energy: -53.084
flat angles P-C4'-P energy: -33.818
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: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -648.503026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.503026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.503026 (E_RNA)
where:
Base-Base interactions energy: -450.901
where: short stacking energy: -208.763
Base-Backbone interact. energy: -0.200
local terms energy: -197.401803
where:
bonds (distance) C4'-P energy: -36.073
bonds (distance) P-C4' energy: -40.472
flat angles C4'-P-C4' energy: -45.386
flat angles P-C4'-P energy: -30.306
tors. eta vs tors. theta energy: -45.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -663.297046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.297046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.297046 (E_RNA)
where:
Base-Base interactions energy: -441.006
where: short stacking energy: -172.012
Base-Backbone interact. energy: -0.617
local terms energy: -221.673690
where:
bonds (distance) C4'-P energy: -48.169
bonds (distance) P-C4' energy: -45.824
flat angles C4'-P-C4' energy: -39.585
flat angles P-C4'-P energy: -33.715
tors. eta vs tors. theta energy: -54.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -455.643985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.643985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.643985 (E_RNA)
where:
Base-Base interactions energy: -285.409
where: short stacking energy: -148.617
Base-Backbone interact. energy: -0.251
local terms energy: -169.983825
where:
bonds (distance) C4'-P energy: -36.004
bonds (distance) P-C4' energy: -40.452
flat angles C4'-P-C4' energy: -38.159
flat angles P-C4'-P energy: -24.746
tors. eta vs tors. theta energy: -30.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -329.256729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.256729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.256729 (E_RNA)
where:
Base-Base interactions energy: -186.900
where: short stacking energy: -103.497
Base-Backbone interact. energy: -0.533
local terms energy: -141.823947
where:
bonds (distance) C4'-P energy: -40.011
bonds (distance) P-C4' energy: -37.853
flat angles C4'-P-C4' energy: -27.889
flat angles P-C4'-P energy: -23.185
tors. eta vs tors. theta energy: -12.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -308.117050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.117050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.117050 (E_RNA)
where:
Base-Base interactions energy: -166.375
where: short stacking energy: -94.475
Base-Backbone interact. energy: 0.057
local terms energy: -141.799082
where:
bonds (distance) C4'-P energy: -37.726
bonds (distance) P-C4' energy: -33.313
flat angles C4'-P-C4' energy: -35.374
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -848.188428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.188428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.188428 (E_RNA)
where:
Base-Base interactions energy: -593.320
where: short stacking energy: -247.561
Base-Backbone interact. energy: 0.137
local terms energy: -255.005006
where:
bonds (distance) C4'-P energy: -52.297
bonds (distance) P-C4' energy: -44.516
flat angles C4'-P-C4' energy: -48.774
flat angles P-C4'-P energy: -37.521
tors. eta vs tors. theta energy: -71.897
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: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -830.643444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.643444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.643444 (E_RNA)
where:
Base-Base interactions energy: -578.936
where: short stacking energy: -260.134
Base-Backbone interact. energy: 0.316
local terms energy: -252.023140
where:
bonds (distance) C4'-P energy: -40.057
bonds (distance) P-C4' energy: -53.178
flat angles C4'-P-C4' energy: -46.532
flat angles P-C4'-P energy: -32.324
tors. eta vs tors. theta energy: -79.932
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: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -777.400914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.400914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.400914 (E_RNA)
where:
Base-Base interactions energy: -545.856
where: short stacking energy: -229.800
Base-Backbone interact. energy: 0.407
local terms energy: -231.952706
where:
bonds (distance) C4'-P energy: -46.328
bonds (distance) P-C4' energy: -41.934
flat angles C4'-P-C4' energy: -47.940
flat angles P-C4'-P energy: -32.214
tors. eta vs tors. theta energy: -63.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -737.805640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.805640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.805640 (E_RNA)
where:
Base-Base interactions energy: -544.805
where: short stacking energy: -220.816
Base-Backbone interact. energy: -0.572
local terms energy: -192.428501
where:
bonds (distance) C4'-P energy: -33.059
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -46.033
flat angles P-C4'-P energy: -31.023
tors. eta vs tors. theta energy: -59.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -745.377110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.377110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.377110 (E_RNA)
where:
Base-Base interactions energy: -535.051
where: short stacking energy: -208.884
Base-Backbone interact. energy: -0.958
local terms energy: -209.367690
where:
bonds (distance) C4'-P energy: -34.940
bonds (distance) P-C4' energy: -39.245
flat angles C4'-P-C4' energy: -43.417
flat angles P-C4'-P energy: -31.097
tors. eta vs tors. theta energy: -60.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -675.072272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.072272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.072272 (E_RNA)
where:
Base-Base interactions energy: -455.694
where: short stacking energy: -215.135
Base-Backbone interact. energy: -1.119
local terms energy: -218.259196
where:
bonds (distance) C4'-P energy: -40.114
bonds (distance) P-C4' energy: -41.924
flat angles C4'-P-C4' energy: -47.350
flat angles P-C4'-P energy: -35.144
tors. eta vs tors. theta energy: -53.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -620.111584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.111584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.111584 (E_RNA)
where:
Base-Base interactions energy: -426.584
where: short stacking energy: -172.318
Base-Backbone interact. energy: -2.171
local terms energy: -191.355619
where:
bonds (distance) C4'-P energy: -33.738
bonds (distance) P-C4' energy: -39.175
flat angles C4'-P-C4' energy: -44.005
flat angles P-C4'-P energy: -30.300
tors. eta vs tors. theta energy: -44.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -430.365675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.365675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.365675 (E_RNA)
where:
Base-Base interactions energy: -278.303
where: short stacking energy: -139.856
Base-Backbone interact. energy: -0.568
local terms energy: -151.494856
where:
bonds (distance) C4'-P energy: -45.751
bonds (distance) P-C4' energy: -42.892
flat angles C4'-P-C4' energy: -30.470
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -312.281757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.281757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.281757 (E_RNA)
where:
Base-Base interactions energy: -157.333
where: short stacking energy: -84.202
Base-Backbone interact. energy: -1.235
local terms energy: -153.713808
where:
bonds (distance) C4'-P energy: -34.729
bonds (distance) P-C4' energy: -48.619
flat angles C4'-P-C4' energy: -44.042
flat angles P-C4'-P energy: -23.810
tors. eta vs tors. theta energy: -2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -300.063363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.063363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.063363 (E_RNA)
where:
Base-Base interactions energy: -166.572
where: short stacking energy: -77.749
Base-Backbone interact. energy: -1.104
local terms energy: -132.386724
where:
bonds (distance) C4'-P energy: -35.656
bonds (distance) P-C4' energy: -40.189
flat angles C4'-P-C4' energy: -33.492
flat angles P-C4'-P energy: -22.741
tors. eta vs tors. theta energy: -0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -845.004147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.004147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.004147 (E_RNA)
where:
Base-Base interactions energy: -605.217
where: short stacking energy: -233.356
Base-Backbone interact. energy: -1.508
local terms energy: -238.278497
where:
bonds (distance) C4'-P energy: -44.662
bonds (distance) P-C4' energy: -37.872
flat angles C4'-P-C4' energy: -51.372
flat angles P-C4'-P energy: -34.779
tors. eta vs tors. theta energy: -69.594
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: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -836.292934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.292934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.292934 (E_RNA)
where:
Base-Base interactions energy: -575.203
where: short stacking energy: -259.025
Base-Backbone interact. energy: -0.021
local terms energy: -261.069459
where:
bonds (distance) C4'-P energy: -45.088
bonds (distance) P-C4' energy: -48.569
flat angles C4'-P-C4' energy: -51.527
flat angles P-C4'-P energy: -37.712
tors. eta vs tors. theta energy: -78.174
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: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -782.241286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.241286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.241286 (E_RNA)
where:
Base-Base interactions energy: -542.965
where: short stacking energy: -223.972
Base-Backbone interact. energy: -0.625
local terms energy: -238.651535
where:
bonds (distance) C4'-P energy: -45.867
bonds (distance) P-C4' energy: -40.374
flat angles C4'-P-C4' energy: -54.067
flat angles P-C4'-P energy: -36.059
tors. eta vs tors. theta energy: -62.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -776.191843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.191843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.191843 (E_RNA)
where:
Base-Base interactions energy: -541.641
where: short stacking energy: -234.491
Base-Backbone interact. energy: 0.264
local terms energy: -234.814332
where:
bonds (distance) C4'-P energy: -38.915
bonds (distance) P-C4' energy: -43.243
flat angles C4'-P-C4' energy: -51.363
flat angles P-C4'-P energy: -32.618
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: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -692.004917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.004917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.004917 (E_RNA)
where:
Base-Base interactions energy: -475.895
where: short stacking energy: -227.575
Base-Backbone interact. energy: -0.520
local terms energy: -215.589859
where:
bonds (distance) C4'-P energy: -28.552
bonds (distance) P-C4' energy: -40.809
flat angles C4'-P-C4' energy: -51.040
flat angles P-C4'-P energy: -33.881
tors. eta vs tors. theta energy: -61.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -677.815346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.815346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.815346 (E_RNA)
where:
Base-Base interactions energy: -475.331
where: short stacking energy: -187.600
Base-Backbone interact. energy: -0.336
local terms energy: -202.148957
where:
bonds (distance) C4'-P energy: -41.646
bonds (distance) P-C4' energy: -38.668
flat angles C4'-P-C4' energy: -39.351
flat angles P-C4'-P energy: -28.877
tors. eta vs tors. theta energy: -53.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -652.941102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.941102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.941102 (E_RNA)
where:
Base-Base interactions energy: -460.847
where: short stacking energy: -204.218
Base-Backbone interact. energy: -1.289
local terms energy: -190.804505
where:
bonds (distance) C4'-P energy: -36.724
bonds (distance) P-C4' energy: -38.805
flat angles C4'-P-C4' energy: -45.258
flat angles P-C4'-P energy: -25.231
tors. eta vs tors. theta energy: -44.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -432.538556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.538556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.538556 (E_RNA)
where:
Base-Base interactions energy: -269.465
where: short stacking energy: -125.519
Base-Backbone interact. energy: -0.688
local terms energy: -162.386171
where:
bonds (distance) C4'-P energy: -34.093
bonds (distance) P-C4' energy: -47.503
flat angles C4'-P-C4' energy: -32.567
flat angles P-C4'-P energy: -27.565
tors. eta vs tors. theta energy: -20.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -323.856615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.856615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.856615 (E_RNA)
where:
Base-Base interactions energy: -164.814
where: short stacking energy: -98.656
Base-Backbone interact. energy: -0.916
local terms energy: -158.126555
where:
bonds (distance) C4'-P energy: -30.133
bonds (distance) P-C4' energy: -40.842
flat angles C4'-P-C4' energy: -44.280
flat angles P-C4'-P energy: -26.970
tors. eta vs tors. theta energy: -15.902
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: 10, replica: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -332.627931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.627931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.627931 (E_RNA)
where:
Base-Base interactions energy: -180.631
where: short stacking energy: -99.973
Base-Backbone interact. energy: -0.731
local terms energy: -151.265755
where:
bonds (distance) C4'-P energy: -42.436
bonds (distance) P-C4' energy: -35.482
flat angles C4'-P-C4' energy: -41.850
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -860.075115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.075115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.075115 (E_RNA)
where:
Base-Base interactions energy: -595.838
where: short stacking energy: -240.766
Base-Backbone interact. energy: -1.451
local terms energy: -262.786103
where:
bonds (distance) C4'-P energy: -51.152
bonds (distance) P-C4' energy: -52.143
flat angles C4'-P-C4' energy: -53.571
flat angles P-C4'-P energy: -36.533
tors. eta vs tors. theta energy: -69.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -838.823612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.823612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.823612 (E_RNA)
where:
Base-Base interactions energy: -584.053
where: short stacking energy: -235.789
Base-Backbone interact. energy: -1.857
local terms energy: -252.913282
where:
bonds (distance) C4'-P energy: -42.677
bonds (distance) P-C4' energy: -46.462
flat angles C4'-P-C4' energy: -51.292
flat angles P-C4'-P energy: -35.271
tors. eta vs tors. theta energy: -77.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -777.496398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.496398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.496398 (E_RNA)
where:
Base-Base interactions energy: -546.527
where: short stacking energy: -227.421
Base-Backbone interact. energy: -1.369
local terms energy: -229.599938
where:
bonds (distance) C4'-P energy: -44.825
bonds (distance) P-C4' energy: -45.812
flat angles C4'-P-C4' energy: -53.212
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: -59.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -760.454340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.454340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.454340 (E_RNA)
where:
Base-Base interactions energy: -507.675
where: short stacking energy: -225.278
Base-Backbone interact. energy: -2.413
local terms energy: -250.366244
where:
bonds (distance) C4'-P energy: -42.981
bonds (distance) P-C4' energy: -46.000
flat angles C4'-P-C4' energy: -57.621
flat angles P-C4'-P energy: -41.000
tors. eta vs tors. theta energy: -62.766
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: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -707.085088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.085088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.085088 (E_RNA)
where:
Base-Base interactions energy: -491.549
where: short stacking energy: -210.216
Base-Backbone interact. energy: -0.167
local terms energy: -215.369093
where:
bonds (distance) C4'-P energy: -46.692
bonds (distance) P-C4' energy: -35.066
flat angles C4'-P-C4' energy: -43.682
flat angles P-C4'-P energy: -33.212
tors. eta vs tors. theta energy: -56.716
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: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -714.047094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.047094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.047094 (E_RNA)
where:
Base-Base interactions energy: -505.892
where: short stacking energy: -225.284
Base-Backbone interact. energy: -0.218
local terms energy: -207.937020
where:
bonds (distance) C4'-P energy: -42.647
bonds (distance) P-C4' energy: -36.481
flat angles C4'-P-C4' energy: -38.358
flat angles P-C4'-P energy: -29.444
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: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -649.727783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.727783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.727783 (E_RNA)
where:
Base-Base interactions energy: -428.915
where: short stacking energy: -196.249
Base-Backbone interact. energy: 0.235
local terms energy: -221.047835
where:
bonds (distance) C4'-P energy: -46.444
bonds (distance) P-C4' energy: -39.938
flat angles C4'-P-C4' energy: -43.685
flat angles P-C4'-P energy: -28.774
tors. eta vs tors. theta energy: -62.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -459.094495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.094495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.094495 (E_RNA)
where:
Base-Base interactions energy: -282.567
where: short stacking energy: -130.967
Base-Backbone interact. energy: -1.429
local terms energy: -175.098482
where:
bonds (distance) C4'-P energy: -39.779
bonds (distance) P-C4' energy: -41.429
flat angles C4'-P-C4' energy: -41.821
flat angles P-C4'-P energy: -27.548
tors. eta vs tors. theta energy: -24.521
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: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -332.116624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.116624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.116624 (E_RNA)
where:
Base-Base interactions energy: -185.592
where: short stacking energy: -98.739
Base-Backbone interact. energy: -0.311
local terms energy: -146.213213
where:
bonds (distance) C4'-P energy: -36.427
bonds (distance) P-C4' energy: -46.257
flat angles C4'-P-C4' energy: -29.248
flat angles P-C4'-P energy: -24.408
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -364.947003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.947003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.947003 (E_RNA)
where:
Base-Base interactions energy: -209.655
where: short stacking energy: -104.125
Base-Backbone interact. energy: 0.136
local terms energy: -155.428309
where:
bonds (distance) C4'-P energy: -38.933
bonds (distance) P-C4' energy: -46.049
flat angles C4'-P-C4' energy: -34.445
flat angles P-C4'-P energy: -19.002
tors. eta vs tors. theta energy: -17.000
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: 1, replica: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -865.049561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.049561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.049561 (E_RNA)
where:
Base-Base interactions energy: -615.280
where: short stacking energy: -252.938
Base-Backbone interact. energy: 0.745
local terms energy: -250.514456
where:
bonds (distance) C4'-P energy: -43.994
bonds (distance) P-C4' energy: -50.414
flat angles C4'-P-C4' energy: -47.577
flat angles P-C4'-P energy: -38.895
tors. eta vs tors. theta energy: -69.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -836.054355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.054355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.054355 (E_RNA)
where:
Base-Base interactions energy: -569.332
where: short stacking energy: -237.349
Base-Backbone interact. energy: 0.520
local terms energy: -267.242878
where:
bonds (distance) C4'-P energy: -53.389
bonds (distance) P-C4' energy: -50.643
flat angles C4'-P-C4' energy: -53.060
flat angles P-C4'-P energy: -38.915
tors. eta vs tors. theta energy: -71.235
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: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -768.739703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.739703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.739703 (E_RNA)
where:
Base-Base interactions energy: -535.027
where: short stacking energy: -217.819
Base-Backbone interact. energy: 1.897
local terms energy: -235.609564
where:
bonds (distance) C4'-P energy: -41.142
bonds (distance) P-C4' energy: -45.234
flat angles C4'-P-C4' energy: -49.452
flat angles P-C4'-P energy: -35.580
tors. eta vs tors. theta energy: -64.202
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: 4
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -745.216204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.216204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.216204 (E_RNA)
where:
Base-Base interactions energy: -508.373
where: short stacking energy: -224.534
Base-Backbone interact. energy: -0.848
local terms energy: -235.995292
where:
bonds (distance) C4'-P energy: -49.033
bonds (distance) P-C4' energy: -46.766
flat angles C4'-P-C4' energy: -44.857
flat angles P-C4'-P energy: -32.623
tors. eta vs tors. theta energy: -62.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -701.518197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.518197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.518197 (E_RNA)
where:
Base-Base interactions energy: -475.298
where: short stacking energy: -204.664
Base-Backbone interact. energy: 2.103
local terms energy: -228.323550
where:
bonds (distance) C4'-P energy: -50.309
bonds (distance) P-C4' energy: -42.403
flat angles C4'-P-C4' energy: -42.765
flat angles P-C4'-P energy: -32.360
tors. eta vs tors. theta energy: -60.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -689.737031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.737031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.737031 (E_RNA)
where:
Base-Base interactions energy: -460.649
where: short stacking energy: -190.737
Base-Backbone interact. energy: -1.117
local terms energy: -227.970614
where:
bonds (distance) C4'-P energy: -43.519
bonds (distance) P-C4' energy: -41.859
flat angles C4'-P-C4' energy: -52.135
flat angles P-C4'-P energy: -30.950
tors. eta vs tors. theta energy: -59.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -635.877464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.877464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.877464 (E_RNA)
where:
Base-Base interactions energy: -429.065
where: short stacking energy: -194.875
Base-Backbone interact. energy: -0.415
local terms energy: -206.397370
where:
bonds (distance) C4'-P energy: -34.463
bonds (distance) P-C4' energy: -49.715
flat angles C4'-P-C4' energy: -44.530
flat angles P-C4'-P energy: -31.592
tors. eta vs tors. theta energy: -46.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -460.812322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.812322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.812322 (E_RNA)
where:
Base-Base interactions energy: -279.442
where: short stacking energy: -131.289
Base-Backbone interact. energy: -0.730
local terms energy: -180.640444
where:
bonds (distance) C4'-P energy: -38.260
bonds (distance) P-C4' energy: -42.989
flat angles C4'-P-C4' energy: -38.025
flat angles P-C4'-P energy: -28.769
tors. eta vs tors. theta energy: -32.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -338.772206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.772206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.772206 (E_RNA)
where:
Base-Base interactions energy: -192.684
where: short stacking energy: -93.597
Base-Backbone interact. energy: 0.988
local terms energy: -147.075776
where:
bonds (distance) C4'-P energy: -26.327
bonds (distance) P-C4' energy: -42.342
flat angles C4'-P-C4' energy: -39.199
flat angles P-C4'-P energy: -30.471
tors. eta vs tors. theta energy: -8.737
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: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -324.259426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.259426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.259426 (E_RNA)
where:
Base-Base interactions energy: -176.472
where: short stacking energy: -106.899
Base-Backbone interact. energy: -0.291
local terms energy: -147.495809
where:
bonds (distance) C4'-P energy: -36.930
bonds (distance) P-C4' energy: -32.685
flat angles C4'-P-C4' energy: -38.188
flat angles P-C4'-P energy: -21.119
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -844.150296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.150296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.150296 (E_RNA)
where:
Base-Base interactions energy: -596.416
where: short stacking energy: -252.358
Base-Backbone interact. energy: -0.230
local terms energy: -247.505005
where:
bonds (distance) C4'-P energy: -42.565
bonds (distance) P-C4' energy: -45.599
flat angles C4'-P-C4' energy: -53.157
flat angles P-C4'-P energy: -30.354
tors. eta vs tors. theta energy: -75.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -832.238380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.238380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.238380 (E_RNA)
where:
Base-Base interactions energy: -579.313
where: short stacking energy: -240.215
Base-Backbone interact. energy: 0.087
local terms energy: -253.012280
where:
bonds (distance) C4'-P energy: -50.783
bonds (distance) P-C4' energy: -45.808
flat angles C4'-P-C4' energy: -52.278
flat angles P-C4'-P energy: -37.770
tors. eta vs tors. theta energy: -66.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -769.460390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.460390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.460390 (E_RNA)
where:
Base-Base interactions energy: -531.932
where: short stacking energy: -222.387
Base-Backbone interact. energy: -3.689
local terms energy: -233.839538
where:
bonds (distance) C4'-P energy: -40.350
bonds (distance) P-C4' energy: -44.612
flat angles C4'-P-C4' energy: -49.056
flat angles P-C4'-P energy: -35.148
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: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -716.160520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.160520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.160520 (E_RNA)
where:
Base-Base interactions energy: -501.857
where: short stacking energy: -210.048
Base-Backbone interact. energy: 2.202
local terms energy: -216.504923
where:
bonds (distance) C4'-P energy: -31.289
bonds (distance) P-C4' energy: -44.249
flat angles C4'-P-C4' energy: -54.395
flat angles P-C4'-P energy: -28.196
tors. eta vs tors. theta energy: -58.377
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: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -714.245789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.245789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.245789 (E_RNA)
where:
Base-Base interactions energy: -491.738
where: short stacking energy: -211.304
Base-Backbone interact. energy: -0.910
local terms energy: -221.597670
where:
bonds (distance) C4'-P energy: -44.658
bonds (distance) P-C4' energy: -44.616
flat angles C4'-P-C4' energy: -48.384
flat angles P-C4'-P energy: -29.255
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: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -658.413857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.413857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.413857 (E_RNA)
where:
Base-Base interactions energy: -444.165
where: short stacking energy: -193.005
Base-Backbone interact. energy: -1.273
local terms energy: -212.976746
where:
bonds (distance) C4'-P energy: -37.609
bonds (distance) P-C4' energy: -51.765
flat angles C4'-P-C4' energy: -41.623
flat angles P-C4'-P energy: -37.347
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: 7, replica: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -622.952913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.952913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.952913 (E_RNA)
where:
Base-Base interactions energy: -432.262
where: short stacking energy: -198.558
Base-Backbone interact. energy: -1.328
local terms energy: -189.363375
where:
bonds (distance) C4'-P energy: -29.575
bonds (distance) P-C4' energy: -35.758
flat angles C4'-P-C4' energy: -42.995
flat angles P-C4'-P energy: -29.177
tors. eta vs tors. theta energy: -51.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -496.686033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.686033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.686033 (E_RNA)
where:
Base-Base interactions energy: -323.315
where: short stacking energy: -152.671
Base-Backbone interact. energy: 0.299
local terms energy: -173.669923
where:
bonds (distance) C4'-P energy: -39.229
bonds (distance) P-C4' energy: -34.847
flat angles C4'-P-C4' energy: -32.997
flat angles P-C4'-P energy: -34.183
tors. eta vs tors. theta energy: -32.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -383.716624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.716624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.716624 (E_RNA)
where:
Base-Base interactions energy: -223.570
where: short stacking energy: -117.030
Base-Backbone interact. energy: -1.014
local terms energy: -159.132916
where:
bonds (distance) C4'-P energy: -34.802
bonds (distance) P-C4' energy: -45.341
flat angles C4'-P-C4' energy: -35.413
flat angles P-C4'-P energy: -21.453
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: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -316.569600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.569600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.569600 (E_RNA)
where:
Base-Base interactions energy: -181.943
where: short stacking energy: -105.741
Base-Backbone interact. energy: 1.812
local terms energy: -136.437876
where:
bonds (distance) C4'-P energy: -29.480
bonds (distance) P-C4' energy: -41.028
flat angles C4'-P-C4' energy: -32.852
flat angles P-C4'-P energy: -26.524
tors. eta vs tors. theta energy: -6.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -855.953536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.953536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.953536 (E_RNA)
where:
Base-Base interactions energy: -584.893
where: short stacking energy: -261.800
Base-Backbone interact. energy: -0.406
local terms energy: -270.654449
where:
bonds (distance) C4'-P energy: -48.053
bonds (distance) P-C4' energy: -49.249
flat angles C4'-P-C4' energy: -59.014
flat angles P-C4'-P energy: -36.087
tors. eta vs tors. theta energy: -78.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -788.115122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.115122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.115122 (E_RNA)
where:
Base-Base interactions energy: -545.667
where: short stacking energy: -222.170
Base-Backbone interact. energy: -3.425
local terms energy: -239.023806
where:
bonds (distance) C4'-P energy: -50.302
bonds (distance) P-C4' energy: -42.071
flat angles C4'-P-C4' energy: -51.665
flat angles P-C4'-P energy: -36.475
tors. eta vs tors. theta energy: -58.510
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: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -819.265584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.265584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.265584 (E_RNA)
where:
Base-Base interactions energy: -568.323
where: short stacking energy: -230.313
Base-Backbone interact. energy: -2.592
local terms energy: -248.350290
where:
bonds (distance) C4'-P energy: -39.835
bonds (distance) P-C4' energy: -44.633
flat angles C4'-P-C4' energy: -56.527
flat angles P-C4'-P energy: -38.080
tors. eta vs tors. theta energy: -69.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -739.199372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.199372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.199372 (E_RNA)
where:
Base-Base interactions energy: -510.399
where: short stacking energy: -232.515
Base-Backbone interact. energy: -1.301
local terms energy: -227.499389
where:
bonds (distance) C4'-P energy: -38.276
bonds (distance) P-C4' energy: -44.646
flat angles C4'-P-C4' energy: -47.189
flat angles P-C4'-P energy: -28.771
tors. eta vs tors. theta energy: -68.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -723.598725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.598725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.598725 (E_RNA)
where:
Base-Base interactions energy: -494.301
where: short stacking energy: -209.782
Base-Backbone interact. energy: 1.268
local terms energy: -230.566185
where:
bonds (distance) C4'-P energy: -46.610
bonds (distance) P-C4' energy: -53.025
flat angles C4'-P-C4' energy: -47.115
flat angles P-C4'-P energy: -26.406
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: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -652.224668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.224668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.224668 (E_RNA)
where:
Base-Base interactions energy: -448.081
where: short stacking energy: -197.147
Base-Backbone interact. energy: 0.178
local terms energy: -204.321970
where:
bonds (distance) C4'-P energy: -43.836
bonds (distance) P-C4' energy: -38.768
flat angles C4'-P-C4' energy: -42.609
flat angles P-C4'-P energy: -27.089
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: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -652.383295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.383295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.383295 (E_RNA)
where:
Base-Base interactions energy: -450.952
where: short stacking energy: -192.063
Base-Backbone interact. energy: -2.232
local terms energy: -199.199140
where:
bonds (distance) C4'-P energy: -37.109
bonds (distance) P-C4' energy: -29.782
flat angles C4'-P-C4' energy: -46.513
flat angles P-C4'-P energy: -30.790
tors. eta vs tors. theta energy: -55.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -472.537614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.537614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.537614 (E_RNA)
where:
Base-Base interactions energy: -305.268
where: short stacking energy: -131.344
Base-Backbone interact. energy: -1.630
local terms energy: -165.639468
where:
bonds (distance) C4'-P energy: -47.332
bonds (distance) P-C4' energy: -39.263
flat angles C4'-P-C4' energy: -38.740
flat angles P-C4'-P energy: -23.283
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -359.411602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.411602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.411602 (E_RNA)
where:
Base-Base interactions energy: -208.917
where: short stacking energy: -99.637
Base-Backbone interact. energy: 1.146
local terms energy: -151.640067
where:
bonds (distance) C4'-P energy: -40.575
bonds (distance) P-C4' energy: -43.190
flat angles C4'-P-C4' energy: -31.361
flat angles P-C4'-P energy: -23.543
tors. eta vs tors. theta energy: -12.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -287.443547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.443547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.443547 (E_RNA)
where:
Base-Base interactions energy: -158.812
where: short stacking energy: -89.580
Base-Backbone interact. energy: -1.425
local terms energy: -127.206567
where:
bonds (distance) C4'-P energy: -33.978
bonds (distance) P-C4' energy: -40.913
flat angles C4'-P-C4' energy: -25.719
flat angles P-C4'-P energy: -23.749
tors. eta vs tors. theta energy: -2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -850.304076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.304076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.304076 (E_RNA)
where:
Base-Base interactions energy: -593.917
where: short stacking energy: -254.029
Base-Backbone interact. energy: 0.065
local terms energy: -256.451328
where:
bonds (distance) C4'-P energy: -40.091
bonds (distance) P-C4' energy: -52.448
flat angles C4'-P-C4' energy: -53.376
flat angles P-C4'-P energy: -37.765
tors. eta vs tors. theta energy: -72.771
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: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -788.819478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.819478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.819478 (E_RNA)
where:
Base-Base interactions energy: -538.076
where: short stacking energy: -223.537
Base-Backbone interact. energy: -3.212
local terms energy: -247.530944
where:
bonds (distance) C4'-P energy: -41.477
bonds (distance) P-C4' energy: -46.834
flat angles C4'-P-C4' energy: -54.476
flat angles P-C4'-P energy: -41.603
tors. eta vs tors. theta energy: -63.140
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: 8
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -819.427022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.427022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.427022 (E_RNA)
where:
Base-Base interactions energy: -588.059
where: short stacking energy: -238.868
Base-Backbone interact. energy: 0.670
local terms energy: -232.038108
where:
bonds (distance) C4'-P energy: -42.949
bonds (distance) P-C4' energy: -49.193
flat angles C4'-P-C4' energy: -42.963
flat angles P-C4'-P energy: -32.359
tors. eta vs tors. theta energy: -64.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -758.025965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.025965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.025965 (E_RNA)
where:
Base-Base interactions energy: -520.380
where: short stacking energy: -217.887
Base-Backbone interact. energy: -1.430
local terms energy: -236.215079
where:
bonds (distance) C4'-P energy: -46.055
bonds (distance) P-C4' energy: -42.589
flat angles C4'-P-C4' energy: -51.062
flat angles P-C4'-P energy: -33.996
tors. eta vs tors. theta energy: -62.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -699.643213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.643213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.643213 (E_RNA)
where:
Base-Base interactions energy: -471.392
where: short stacking energy: -211.658
Base-Backbone interact. energy: -1.526
local terms energy: -226.725129
where:
bonds (distance) C4'-P energy: -36.657
bonds (distance) P-C4' energy: -47.457
flat angles C4'-P-C4' energy: -48.695
flat angles P-C4'-P energy: -36.250
tors. eta vs tors. theta energy: -57.666
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: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -669.072077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.072077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.072077 (E_RNA)
where:
Base-Base interactions energy: -453.294
where: short stacking energy: -198.485
Base-Backbone interact. energy: -2.014
local terms energy: -213.764088
where:
bonds (distance) C4'-P energy: -43.976
bonds (distance) P-C4' energy: -37.850
flat angles C4'-P-C4' energy: -44.443
flat angles P-C4'-P energy: -37.700
tors. eta vs tors. theta energy: -49.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -663.189355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.189355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.189355 (E_RNA)
where:
Base-Base interactions energy: -459.969
where: short stacking energy: -189.360
Base-Backbone interact. energy: -1.219
local terms energy: -202.002003
where:
bonds (distance) C4'-P energy: -44.478
bonds (distance) P-C4' energy: -44.899
flat angles C4'-P-C4' energy: -40.906
flat angles P-C4'-P energy: -25.440
tors. eta vs tors. theta energy: -46.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -496.330655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.330655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.330655 (E_RNA)
where:
Base-Base interactions energy: -324.134
where: short stacking energy: -136.891
Base-Backbone interact. energy: 3.685
local terms energy: -175.881495
where:
bonds (distance) C4'-P energy: -47.074
bonds (distance) P-C4' energy: -44.416
flat angles C4'-P-C4' energy: -33.761
flat angles P-C4'-P energy: -28.150
tors. eta vs tors. theta energy: -22.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -339.098589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.098589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.098589 (E_RNA)
where:
Base-Base interactions energy: -183.366
where: short stacking energy: -90.750
Base-Backbone interact. energy: 0.052
local terms energy: -155.784679
where:
bonds (distance) C4'-P energy: -35.328
bonds (distance) P-C4' energy: -50.304
flat angles C4'-P-C4' energy: -40.265
flat angles P-C4'-P energy: -22.458
tors. eta vs tors. theta energy: -7.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -337.554930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.554930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.554930 (E_RNA)
where:
Base-Base interactions energy: -191.304
where: short stacking energy: -89.161
Base-Backbone interact. energy: 1.511
local terms energy: -147.761596
where:
bonds (distance) C4'-P energy: -30.086
bonds (distance) P-C4' energy: -45.607
flat angles C4'-P-C4' energy: -46.634
flat angles P-C4'-P energy: -17.575
tors. eta vs tors. theta energy: -7.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -846.350968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.350968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.350968 (E_RNA)
where:
Base-Base interactions energy: -588.961
where: short stacking energy: -245.277
Base-Backbone interact. energy: -0.103
local terms energy: -257.287002
where:
bonds (distance) C4'-P energy: -47.567
bonds (distance) P-C4' energy: -47.723
flat angles C4'-P-C4' energy: -49.207
flat angles P-C4'-P energy: -35.278
tors. eta vs tors. theta energy: -77.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -822.582843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.582843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.582843 (E_RNA)
where:
Base-Base interactions energy: -582.022
where: short stacking energy: -233.533
Base-Backbone interact. energy: -0.806
local terms energy: -239.754803
where:
bonds (distance) C4'-P energy: -43.523
bonds (distance) P-C4' energy: -45.956
flat angles C4'-P-C4' energy: -45.665
flat angles P-C4'-P energy: -35.726
tors. eta vs tors. theta energy: -68.884
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: 3, replica: 7
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -761.605538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.605538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.605538 (E_RNA)
where:
Base-Base interactions energy: -537.683
where: short stacking energy: -226.458
Base-Backbone interact. energy: -0.329
local terms energy: -223.593650
where:
bonds (distance) C4'-P energy: -41.203
bonds (distance) P-C4' energy: -37.205
flat angles C4'-P-C4' energy: -47.174
flat angles P-C4'-P energy: -36.700
tors. eta vs tors. theta energy: -61.313
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: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -738.004560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.004560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.004560 (E_RNA)
where:
Base-Base interactions energy: -499.446
where: short stacking energy: -213.470
Base-Backbone interact. energy: -0.041
local terms energy: -238.517523
where:
bonds (distance) C4'-P energy: -44.515
bonds (distance) P-C4' energy: -51.409
flat angles C4'-P-C4' energy: -42.538
flat angles P-C4'-P energy: -33.945
tors. eta vs tors. theta energy: -66.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -696.388779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.388779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.388779 (E_RNA)
where:
Base-Base interactions energy: -473.545
where: short stacking energy: -220.921
Base-Backbone interact. energy: -0.525
local terms energy: -222.318741
where:
bonds (distance) C4'-P energy: -41.898
bonds (distance) P-C4' energy: -41.653
flat angles C4'-P-C4' energy: -43.890
flat angles P-C4'-P energy: -32.163
tors. eta vs tors. theta energy: -62.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -693.846545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.846545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.846545 (E_RNA)
where:
Base-Base interactions energy: -493.561
where: short stacking energy: -213.106
Base-Backbone interact. energy: -0.562
local terms energy: -199.724311
where:
bonds (distance) C4'-P energy: -38.797
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -44.930
flat angles P-C4'-P energy: -22.437
tors. eta vs tors. theta energy: -62.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -623.296603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.296603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.296603 (E_RNA)
where:
Base-Base interactions energy: -425.382
where: short stacking energy: -203.156
Base-Backbone interact. energy: -1.421
local terms energy: -196.492782
where:
bonds (distance) C4'-P energy: -43.614
bonds (distance) P-C4' energy: -35.248
flat angles C4'-P-C4' energy: -38.736
flat angles P-C4'-P energy: -23.277
tors. eta vs tors. theta energy: -55.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -522.486010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.486010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.486010 (E_RNA)
where:
Base-Base interactions energy: -342.292
where: short stacking energy: -155.195
Base-Backbone interact. energy: -0.845
local terms energy: -179.349069
where:
bonds (distance) C4'-P energy: -32.406
bonds (distance) P-C4' energy: -44.951
flat angles C4'-P-C4' energy: -38.455
flat angles P-C4'-P energy: -31.227
tors. eta vs tors. theta energy: -32.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -355.146539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.146539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.146539 (E_RNA)
where:
Base-Base interactions energy: -204.142
where: short stacking energy: -107.790
Base-Backbone interact. energy: -0.814
local terms energy: -150.191001
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -45.184
flat angles C4'-P-C4' energy: -39.112
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -14.902
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: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -353.993474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.993474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.993474 (E_RNA)
where:
Base-Base interactions energy: -209.830
where: short stacking energy: -125.969
Base-Backbone interact. energy: -0.988
local terms energy: -143.175002
where:
bonds (distance) C4'-P energy: -37.294
bonds (distance) P-C4' energy: -32.721
flat angles C4'-P-C4' energy: -41.020
flat angles P-C4'-P energy: -23.151
tors. eta vs tors. theta energy: -8.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -859.416309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.416309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.416309 (E_RNA)
where:
Base-Base interactions energy: -590.655
where: short stacking energy: -265.141
Base-Backbone interact. energy: 0.087
local terms energy: -268.848770
where:
bonds (distance) C4'-P energy: -46.725
bonds (distance) P-C4' energy: -53.152
flat angles C4'-P-C4' energy: -51.646
flat angles P-C4'-P energy: -35.636
tors. eta vs tors. theta energy: -81.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -828.996999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.996999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.996999 (E_RNA)
where:
Base-Base interactions energy: -585.743
where: short stacking energy: -233.093
Base-Backbone interact. energy: -0.729
local terms energy: -242.524635
where:
bonds (distance) C4'-P energy: -46.832
bonds (distance) P-C4' energy: -48.832
flat angles C4'-P-C4' energy: -46.176
flat angles P-C4'-P energy: -30.289
tors. eta vs tors. theta energy: -70.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -743.815821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.815821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.815821 (E_RNA)
where:
Base-Base interactions energy: -517.312
where: short stacking energy: -204.285
Base-Backbone interact. energy: -0.565
local terms energy: -225.939115
where:
bonds (distance) C4'-P energy: -45.017
bonds (distance) P-C4' energy: -37.481
flat angles C4'-P-C4' energy: -51.250
flat angles P-C4'-P energy: -31.972
tors. eta vs tors. theta energy: -60.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -749.733834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.733834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.733834 (E_RNA)
where:
Base-Base interactions energy: -527.504
where: short stacking energy: -221.223
Base-Backbone interact. energy: 4.274
local terms energy: -226.504021
where:
bonds (distance) C4'-P energy: -36.150
bonds (distance) P-C4' energy: -47.804
flat angles C4'-P-C4' energy: -45.456
flat angles P-C4'-P energy: -31.228
tors. eta vs tors. theta energy: -65.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -713.730255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.730255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.730255 (E_RNA)
where:
Base-Base interactions energy: -489.880
where: short stacking energy: -208.815
Base-Backbone interact. energy: -2.461
local terms energy: -221.388921
where:
bonds (distance) C4'-P energy: -35.222
bonds (distance) P-C4' energy: -47.726
flat angles C4'-P-C4' energy: -48.346
flat angles P-C4'-P energy: -26.822
tors. eta vs tors. theta energy: -63.273
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: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -715.545141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.545141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.545141 (E_RNA)
where:
Base-Base interactions energy: -478.914
where: short stacking energy: -223.738
Base-Backbone interact. energy: -0.434
local terms energy: -236.197152
where:
bonds (distance) C4'-P energy: -34.899
bonds (distance) P-C4' energy: -51.061
flat angles C4'-P-C4' energy: -52.144
flat angles P-C4'-P energy: -35.441
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: 7, replica: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -619.166494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.166494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.166494 (E_RNA)
where:
Base-Base interactions energy: -421.860
where: short stacking energy: -184.391
Base-Backbone interact. energy: -1.658
local terms energy: -195.648615
where:
bonds (distance) C4'-P energy: -38.214
bonds (distance) P-C4' energy: -41.739
flat angles C4'-P-C4' energy: -48.201
flat angles P-C4'-P energy: -23.552
tors. eta vs tors. theta energy: -43.942
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: 332
Temperature: 1.250000
Total energy: -451.051479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.051479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.051479 (E_RNA)
where:
Base-Base interactions energy: -272.058
where: short stacking energy: -115.004
Base-Backbone interact. energy: -1.555
local terms energy: -177.438038
where:
bonds (distance) C4'-P energy: -50.588
bonds (distance) P-C4' energy: -32.916
flat angles C4'-P-C4' energy: -47.349
flat angles P-C4'-P energy: -25.017
tors. eta vs tors. theta energy: -21.568
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: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -290.049269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.049269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.049269 (E_RNA)
where:
Base-Base interactions energy: -161.173
where: short stacking energy: -94.149
Base-Backbone interact. energy: 0.509
local terms energy: -129.385754
where:
bonds (distance) C4'-P energy: -43.054
bonds (distance) P-C4' energy: -34.983
flat angles C4'-P-C4' energy: -25.555
flat angles P-C4'-P energy: -18.519
tors. eta vs tors. theta energy: -7.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -313.577047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.577047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.577047 (E_RNA)
where:
Base-Base interactions energy: -179.879
where: short stacking energy: -109.119
Base-Backbone interact. energy: -1.257
local terms energy: -132.441168
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -42.101
flat angles C4'-P-C4' energy: -34.596
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -13.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -856.671494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.671494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.671494 (E_RNA)
where:
Base-Base interactions energy: -599.565
where: short stacking energy: -262.755
Base-Backbone interact. energy: -0.099
local terms energy: -257.007608
where:
bonds (distance) C4'-P energy: -43.542
bonds (distance) P-C4' energy: -45.821
flat angles C4'-P-C4' energy: -53.663
flat angles P-C4'-P energy: -33.847
tors. eta vs tors. theta energy: -80.134
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: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -843.321106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.321106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.321106 (E_RNA)
where:
Base-Base interactions energy: -581.230
where: short stacking energy: -237.999
Base-Backbone interact. energy: -0.545
local terms energy: -261.545853
where:
bonds (distance) C4'-P energy: -54.053
bonds (distance) P-C4' energy: -47.063
flat angles C4'-P-C4' energy: -53.719
flat angles P-C4'-P energy: -34.378
tors. eta vs tors. theta energy: -72.332
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: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -749.087195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.087195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.087195 (E_RNA)
where:
Base-Base interactions energy: -524.641
where: short stacking energy: -229.474
Base-Backbone interact. energy: -1.426
local terms energy: -223.019410
where:
bonds (distance) C4'-P energy: -38.570
bonds (distance) P-C4' energy: -40.292
flat angles C4'-P-C4' energy: -49.225
flat angles P-C4'-P energy: -33.074
tors. eta vs tors. theta energy: -61.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -771.116190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.116190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.116190 (E_RNA)
where:
Base-Base interactions energy: -536.652
where: short stacking energy: -232.998
Base-Backbone interact. energy: -0.709
local terms energy: -233.754564
where:
bonds (distance) C4'-P energy: -35.204
bonds (distance) P-C4' energy: -44.466
flat angles C4'-P-C4' energy: -49.792
flat angles P-C4'-P energy: -34.081
tors. eta vs tors. theta energy: -70.211
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: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -724.282862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.282862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.282862 (E_RNA)
where:
Base-Base interactions energy: -489.912
where: short stacking energy: -205.517
Base-Backbone interact. energy: -0.105
local terms energy: -234.265708
where:
bonds (distance) C4'-P energy: -50.737
bonds (distance) P-C4' energy: -43.691
flat angles C4'-P-C4' energy: -50.710
flat angles P-C4'-P energy: -29.918
tors. eta vs tors. theta energy: -59.209
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: 333
Temperature: 1.150000
Total energy: -706.071867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.071867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.071867 (E_RNA)
where:
Base-Base interactions energy: -488.571
where: short stacking energy: -219.378
Base-Backbone interact. energy: -0.363
local terms energy: -217.137341
where:
bonds (distance) C4'-P energy: -32.694
bonds (distance) P-C4' energy: -42.210
flat angles C4'-P-C4' energy: -48.585
flat angles P-C4'-P energy: -31.870
tors. eta vs tors. theta energy: -61.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -620.851596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.851596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.851596 (E_RNA)
where:
Base-Base interactions energy: -425.354
where: short stacking energy: -189.443
Base-Backbone interact. energy: -0.501
local terms energy: -194.996937
where:
bonds (distance) C4'-P energy: -41.025
bonds (distance) P-C4' energy: -43.110
flat angles C4'-P-C4' energy: -42.703
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: -43.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -466.548570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.548570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.548570 (E_RNA)
where:
Base-Base interactions energy: -274.739
where: short stacking energy: -139.439
Base-Backbone interact. energy: 0.645
local terms energy: -192.453892
where:
bonds (distance) C4'-P energy: -38.868
bonds (distance) P-C4' energy: -46.633
flat angles C4'-P-C4' energy: -43.398
flat angles P-C4'-P energy: -30.776
tors. eta vs tors. theta energy: -32.779
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: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -316.096165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.096165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.096165 (E_RNA)
where:
Base-Base interactions energy: -162.329
where: short stacking energy: -107.533
Base-Backbone interact. energy: -1.097
local terms energy: -152.669971
where:
bonds (distance) C4'-P energy: -45.652
bonds (distance) P-C4' energy: -29.389
flat angles C4'-P-C4' energy: -38.014
flat angles P-C4'-P energy: -19.909
tors. eta vs tors. theta energy: -19.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -300.429515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.429515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.429515 (E_RNA)
where:
Base-Base interactions energy: -165.376
where: short stacking energy: -91.981
Base-Backbone interact. energy: -0.715
local terms energy: -134.338024
where:
bonds (distance) C4'-P energy: -28.545
bonds (distance) P-C4' energy: -44.237
flat angles C4'-P-C4' energy: -32.266
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -852.234903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.234903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.234903 (E_RNA)
where:
Base-Base interactions energy: -594.327
where: short stacking energy: -241.897
Base-Backbone interact. energy: -1.546
local terms energy: -256.361311
where:
bonds (distance) C4'-P energy: -50.942
bonds (distance) P-C4' energy: -43.021
flat angles C4'-P-C4' energy: -45.960
flat angles P-C4'-P energy: -44.492
tors. eta vs tors. theta energy: -71.946
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: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -837.992638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.992638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.992638 (E_RNA)
where:
Base-Base interactions energy: -577.428
where: short stacking energy: -244.340
Base-Backbone interact. energy: -0.294
local terms energy: -260.271126
where:
bonds (distance) C4'-P energy: -47.201
bonds (distance) P-C4' energy: -48.466
flat angles C4'-P-C4' energy: -52.951
flat angles P-C4'-P energy: -36.210
tors. eta vs tors. theta energy: -75.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -785.852692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.852692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.852692 (E_RNA)
where:
Base-Base interactions energy: -537.337
where: short stacking energy: -232.303
Base-Backbone interact. energy: -0.708
local terms energy: -247.806816
where:
bonds (distance) C4'-P energy: -40.309
bonds (distance) P-C4' energy: -46.741
flat angles C4'-P-C4' energy: -54.065
flat angles P-C4'-P energy: -34.239
tors. eta vs tors. theta energy: -72.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -747.359723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.359723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.359723 (E_RNA)
where:
Base-Base interactions energy: -519.587
where: short stacking energy: -211.689
Base-Backbone interact. energy: -0.497
local terms energy: -227.276002
where:
bonds (distance) C4'-P energy: -42.735
bonds (distance) P-C4' energy: -46.792
flat angles C4'-P-C4' energy: -42.849
flat angles P-C4'-P energy: -34.254
tors. eta vs tors. theta energy: -60.646
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: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -698.984688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.984688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.984688 (E_RNA)
where:
Base-Base interactions energy: -473.747
where: short stacking energy: -208.299
Base-Backbone interact. energy: -0.167
local terms energy: -225.070134
where:
bonds (distance) C4'-P energy: -43.191
bonds (distance) P-C4' energy: -41.604
flat angles C4'-P-C4' energy: -46.439
flat angles P-C4'-P energy: -32.292
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: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -726.092206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.092206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.092206 (E_RNA)
where:
Base-Base interactions energy: -516.585
where: short stacking energy: -214.079
Base-Backbone interact. energy: -0.913
local terms energy: -208.594607
where:
bonds (distance) C4'-P energy: -32.926
bonds (distance) P-C4' energy: -39.673
flat angles C4'-P-C4' energy: -43.281
flat angles P-C4'-P energy: -32.115
tors. eta vs tors. theta energy: -60.599
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: 7, replica: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -624.961974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.961974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.961974 (E_RNA)
where:
Base-Base interactions energy: -419.311
where: short stacking energy: -182.763
Base-Backbone interact. energy: 0.195
local terms energy: -205.845532
where:
bonds (distance) C4'-P energy: -41.187
bonds (distance) P-C4' energy: -49.120
flat angles C4'-P-C4' energy: -38.821
flat angles P-C4'-P energy: -27.730
tors. eta vs tors. theta energy: -48.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -460.839480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.839480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.839480 (E_RNA)
where:
Base-Base interactions energy: -283.920
where: short stacking energy: -119.618
Base-Backbone interact. energy: 0.747
local terms energy: -177.666776
where:
bonds (distance) C4'-P energy: -41.277
bonds (distance) P-C4' energy: -29.870
flat angles C4'-P-C4' energy: -49.246
flat angles P-C4'-P energy: -30.861
tors. eta vs tors. theta energy: -26.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -329.703359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.703359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.703359 (E_RNA)
where:
Base-Base interactions energy: -173.008
where: short stacking energy: -102.692
Base-Backbone interact. energy: -0.643
local terms energy: -156.052025
where:
bonds (distance) C4'-P energy: -40.428
bonds (distance) P-C4' energy: -39.197
flat angles C4'-P-C4' energy: -39.179
flat angles P-C4'-P energy: -29.581
tors. eta vs tors. theta energy: -7.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -315.390543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.390543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.390543 (E_RNA)
where:
Base-Base interactions energy: -174.691
where: short stacking energy: -78.548
Base-Backbone interact. energy: 1.973
local terms energy: -142.672318
where:
bonds (distance) C4'-P energy: -32.839
bonds (distance) P-C4' energy: -45.385
flat angles C4'-P-C4' energy: -35.614
flat angles P-C4'-P energy: -27.643
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -846.267406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.267406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.267406 (E_RNA)
where:
Base-Base interactions energy: -602.009
where: short stacking energy: -242.315
Base-Backbone interact. energy: -2.311
local terms energy: -241.947260
where:
bonds (distance) C4'-P energy: -53.789
bonds (distance) P-C4' energy: -37.637
flat angles C4'-P-C4' energy: -47.648
flat angles P-C4'-P energy: -34.288
tors. eta vs tors. theta energy: -68.585
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: 335
Temperature: 0.950000
Total energy: -841.996429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.996429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.996429 (E_RNA)
where:
Base-Base interactions energy: -597.217
where: short stacking energy: -257.723
Base-Backbone interact. energy: -0.626
local terms energy: -244.152888
where:
bonds (distance) C4'-P energy: -39.996
bonds (distance) P-C4' energy: -39.592
flat angles C4'-P-C4' energy: -54.058
flat angles P-C4'-P energy: -34.038
tors. eta vs tors. theta energy: -76.469
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: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -773.928633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.928633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.928633 (E_RNA)
where:
Base-Base interactions energy: -526.619
where: short stacking energy: -227.337
Base-Backbone interact. energy: 0.351
local terms energy: -247.660525
where:
bonds (distance) C4'-P energy: -50.398
bonds (distance) P-C4' energy: -46.001
flat angles C4'-P-C4' energy: -47.981
flat angles P-C4'-P energy: -37.177
tors. eta vs tors. theta energy: -66.104
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: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -737.198947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.198947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.198947 (E_RNA)
where:
Base-Base interactions energy: -509.339
where: short stacking energy: -209.813
Base-Backbone interact. energy: -1.283
local terms energy: -226.577112
where:
bonds (distance) C4'-P energy: -47.216
bonds (distance) P-C4' energy: -41.992
flat angles C4'-P-C4' energy: -49.020
flat angles P-C4'-P energy: -27.945
tors. eta vs tors. theta energy: -60.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -729.399358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.399358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.399358 (E_RNA)
where:
Base-Base interactions energy: -499.069
where: short stacking energy: -207.022
Base-Backbone interact. energy: -1.467
local terms energy: -228.863429
where:
bonds (distance) C4'-P energy: -39.856
bonds (distance) P-C4' energy: -46.264
flat angles C4'-P-C4' energy: -52.026
flat angles P-C4'-P energy: -32.091
tors. eta vs tors. theta energy: -58.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -706.110136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.110136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.110136 (E_RNA)
where:
Base-Base interactions energy: -475.721
where: short stacking energy: -182.630
Base-Backbone interact. energy: -1.623
local terms energy: -228.766633
where:
bonds (distance) C4'-P energy: -38.689
bonds (distance) P-C4' energy: -48.406
flat angles C4'-P-C4' energy: -43.924
flat angles P-C4'-P energy: -33.192
tors. eta vs tors. theta energy: -64.556
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: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -620.763298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.763298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.763298 (E_RNA)
where:
Base-Base interactions energy: -423.213
where: short stacking energy: -194.924
Base-Backbone interact. energy: -0.418
local terms energy: -197.132651
where:
bonds (distance) C4'-P energy: -38.201
bonds (distance) P-C4' energy: -39.711
flat angles C4'-P-C4' energy: -50.245
flat angles P-C4'-P energy: -25.447
tors. eta vs tors. theta energy: -43.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -538.629788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.629788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.629788 (E_RNA)
where:
Base-Base interactions energy: -367.259
where: short stacking energy: -146.337
Base-Backbone interact. energy: 0.312
local terms energy: -171.683102
where:
bonds (distance) C4'-P energy: -40.421
bonds (distance) P-C4' energy: -28.698
flat angles C4'-P-C4' energy: -37.674
flat angles P-C4'-P energy: -30.112
tors. eta vs tors. theta energy: -34.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -326.316020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.316020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.316020 (E_RNA)
where:
Base-Base interactions energy: -169.230
where: short stacking energy: -93.022
Base-Backbone interact. energy: -1.520
local terms energy: -155.566199
where:
bonds (distance) C4'-P energy: -35.246
bonds (distance) P-C4' energy: -38.618
flat angles C4'-P-C4' energy: -37.308
flat angles P-C4'-P energy: -30.720
tors. eta vs tors. theta energy: -13.675
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: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -270.385179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.385179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.385179 (E_RNA)
where:
Base-Base interactions energy: -136.104
where: short stacking energy: -88.086
Base-Backbone interact. energy: -0.560
local terms energy: -133.720812
where:
bonds (distance) C4'-P energy: -42.751
bonds (distance) P-C4' energy: -45.044
flat angles C4'-P-C4' energy: -26.212
flat angles P-C4'-P energy: -15.533
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: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -845.209638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.209638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.209638 (E_RNA)
where:
Base-Base interactions energy: -594.949
where: short stacking energy: -240.476
Base-Backbone interact. energy: 0.023
local terms energy: -250.283979
where:
bonds (distance) C4'-P energy: -44.857
bonds (distance) P-C4' energy: -48.275
flat angles C4'-P-C4' energy: -51.905
flat angles P-C4'-P energy: -34.268
tors. eta vs tors. theta energy: -70.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -834.324892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.324892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.324892 (E_RNA)
where:
Base-Base interactions energy: -578.940
where: short stacking energy: -242.999
Base-Backbone interact. energy: -1.921
local terms energy: -253.464277
where:
bonds (distance) C4'-P energy: -50.335
bonds (distance) P-C4' energy: -43.906
flat angles C4'-P-C4' energy: -54.235
flat angles P-C4'-P energy: -33.064
tors. eta vs tors. theta energy: -71.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -775.420086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.420086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.420086 (E_RNA)
where:
Base-Base interactions energy: -520.430
where: short stacking energy: -228.792
Base-Backbone interact. energy: -2.739
local terms energy: -252.251013
where:
bonds (distance) C4'-P energy: -47.186
bonds (distance) P-C4' energy: -46.056
flat angles C4'-P-C4' energy: -53.416
flat angles P-C4'-P energy: -38.179
tors. eta vs tors. theta energy: -67.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -721.664544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.664544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.664544 (E_RNA)
where:
Base-Base interactions energy: -504.134
where: short stacking energy: -202.629
Base-Backbone interact. energy: 0.840
local terms energy: -218.370664
where:
bonds (distance) C4'-P energy: -44.156
bonds (distance) P-C4' energy: -42.706
flat angles C4'-P-C4' energy: -50.555
flat angles P-C4'-P energy: -29.459
tors. eta vs tors. theta energy: -51.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -733.582486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.582486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.582486 (E_RNA)
where:
Base-Base interactions energy: -501.365
where: short stacking energy: -213.158
Base-Backbone interact. energy: -0.226
local terms energy: -231.991522
where:
bonds (distance) C4'-P energy: -42.441
bonds (distance) P-C4' energy: -48.651
flat angles C4'-P-C4' energy: -45.659
flat angles P-C4'-P energy: -32.331
tors. eta vs tors. theta energy: -62.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -661.631396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.631396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.631396 (E_RNA)
where:
Base-Base interactions energy: -452.376
where: short stacking energy: -206.366
Base-Backbone interact. energy: 0.839
local terms energy: -210.095026
where:
bonds (distance) C4'-P energy: -37.057
bonds (distance) P-C4' energy: -52.789
flat angles C4'-P-C4' energy: -40.594
flat angles P-C4'-P energy: -22.203
tors. eta vs tors. theta energy: -57.453
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: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -610.213581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.213581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.213581 (E_RNA)
where:
Base-Base interactions energy: -401.568
where: short stacking energy: -183.031
Base-Backbone interact. energy: -0.508
local terms energy: -208.137387
where:
bonds (distance) C4'-P energy: -46.603
bonds (distance) P-C4' energy: -44.868
flat angles C4'-P-C4' energy: -47.857
flat angles P-C4'-P energy: -25.858
tors. eta vs tors. theta energy: -42.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -502.385947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.385947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.385947 (E_RNA)
where:
Base-Base interactions energy: -329.163
where: short stacking energy: -134.885
Base-Backbone interact. energy: 1.589
local terms energy: -174.811710
where:
bonds (distance) C4'-P energy: -40.683
bonds (distance) P-C4' energy: -40.774
flat angles C4'-P-C4' energy: -43.676
flat angles P-C4'-P energy: -24.547
tors. eta vs tors. theta energy: -25.132
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: 9, replica: 10
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -324.194830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.194830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.194830 (E_RNA)
where:
Base-Base interactions energy: -179.609
where: short stacking energy: -89.024
Base-Backbone interact. energy: 2.856
local terms energy: -147.441399
where:
bonds (distance) C4'-P energy: -35.005
bonds (distance) P-C4' energy: -50.342
flat angles C4'-P-C4' energy: -35.049
flat angles P-C4'-P energy: -25.115
tors. eta vs tors. theta energy: -1.930
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: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -281.065375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.065375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.065375 (E_RNA)
where:
Base-Base interactions energy: -159.598
where: short stacking energy: -81.787
Base-Backbone interact. energy: 1.047
local terms energy: -122.514123
where:
bonds (distance) C4'-P energy: -39.388
bonds (distance) P-C4' energy: -39.006
flat angles C4'-P-C4' energy: -25.795
flat angles P-C4'-P energy: -20.229
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: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -872.645089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.645089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.645089 (E_RNA)
where:
Base-Base interactions energy: -611.493
where: short stacking energy: -242.311
Base-Backbone interact. energy: -2.016
local terms energy: -259.136398
where:
bonds (distance) C4'-P energy: -51.846
bonds (distance) P-C4' energy: -49.672
flat angles C4'-P-C4' energy: -50.966
flat angles P-C4'-P energy: -34.521
tors. eta vs tors. theta energy: -72.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -792.496770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.496770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.496770 (E_RNA)
where:
Base-Base interactions energy: -550.295
where: short stacking energy: -230.936
Base-Backbone interact. energy: -0.850
local terms energy: -241.351139
where:
bonds (distance) C4'-P energy: -42.725
bonds (distance) P-C4' energy: -51.559
flat angles C4'-P-C4' energy: -53.549
flat angles P-C4'-P energy: -34.195
tors. eta vs tors. theta energy: -59.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -816.160169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.160169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.160169 (E_RNA)
where:
Base-Base interactions energy: -565.232
where: short stacking energy: -240.898
Base-Backbone interact. energy: -0.440
local terms energy: -250.487843
where:
bonds (distance) C4'-P energy: -40.225
bonds (distance) P-C4' energy: -52.121
flat angles C4'-P-C4' energy: -52.592
flat angles P-C4'-P energy: -36.150
tors. eta vs tors. theta energy: -69.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -758.814477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.814477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.814477 (E_RNA)
where:
Base-Base interactions energy: -536.667
where: short stacking energy: -227.016
Base-Backbone interact. energy: 0.283
local terms energy: -222.430574
where:
bonds (distance) C4'-P energy: -39.705
bonds (distance) P-C4' energy: -33.999
flat angles C4'-P-C4' energy: -47.867
flat angles P-C4'-P energy: -32.714
tors. eta vs tors. theta energy: -68.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -710.615466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.615466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.615466 (E_RNA)
where:
Base-Base interactions energy: -505.619
where: short stacking energy: -212.044
Base-Backbone interact. energy: -0.901
local terms energy: -204.094934
where:
bonds (distance) C4'-P energy: -35.270
bonds (distance) P-C4' energy: -34.054
flat angles C4'-P-C4' energy: -45.578
flat angles P-C4'-P energy: -33.825
tors. eta vs tors. theta energy: -55.369
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: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -660.558754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.558754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.558754 (E_RNA)
where:
Base-Base interactions energy: -448.429
where: short stacking energy: -194.578
Base-Backbone interact. energy: -0.805
local terms energy: -211.324201
where:
bonds (distance) C4'-P energy: -46.234
bonds (distance) P-C4' energy: -37.992
flat angles C4'-P-C4' energy: -42.754
flat angles P-C4'-P energy: -37.252
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: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -568.445397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.445397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.445397 (E_RNA)
where:
Base-Base interactions energy: -369.471
where: short stacking energy: -174.603
Base-Backbone interact. energy: -1.707
local terms energy: -197.266910
where:
bonds (distance) C4'-P energy: -43.067
bonds (distance) P-C4' energy: -30.102
flat angles C4'-P-C4' energy: -44.383
flat angles P-C4'-P energy: -34.778
tors. eta vs tors. theta energy: -44.938
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: 8, replica: 2
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -520.924175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.924175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.924175 (E_RNA)
where:
Base-Base interactions energy: -345.509
where: short stacking energy: -163.919
Base-Backbone interact. energy: -0.352
local terms energy: -175.062787
where:
bonds (distance) C4'-P energy: -35.786
bonds (distance) P-C4' energy: -43.939
flat angles C4'-P-C4' energy: -42.418
flat angles P-C4'-P energy: -21.563
tors. eta vs tors. theta energy: -31.357
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: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -329.043427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.043427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.043427 (E_RNA)
where:
Base-Base interactions energy: -173.669
where: short stacking energy: -100.025
Base-Backbone interact. energy: -0.505
local terms energy: -154.868654
where:
bonds (distance) C4'-P energy: -42.918
bonds (distance) P-C4' energy: -44.089
flat angles C4'-P-C4' energy: -39.357
flat angles P-C4'-P energy: -21.714
tors. eta vs tors. theta energy: -6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -259.761143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.761143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.761143 (E_RNA)
where:
Base-Base interactions energy: -108.658
where: short stacking energy: -71.532
Base-Backbone interact. energy: 1.534
local terms energy: -152.636766
where:
bonds (distance) C4'-P energy: -44.262
bonds (distance) P-C4' energy: -44.828
flat angles C4'-P-C4' energy: -34.683
flat angles P-C4'-P energy: -23.427
tors. eta vs tors. theta energy: -5.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -848.252677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.252677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.252677 (E_RNA)
where:
Base-Base interactions energy: -600.043
where: short stacking energy: -248.827
Base-Backbone interact. energy: -1.399
local terms energy: -246.810441
where:
bonds (distance) C4'-P energy: -42.837
bonds (distance) P-C4' energy: -46.909
flat angles C4'-P-C4' energy: -55.391
flat angles P-C4'-P energy: -30.849
tors. eta vs tors. theta energy: -70.825
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: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -786.519409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.519409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.519409 (E_RNA)
where:
Base-Base interactions energy: -535.084
where: short stacking energy: -230.754
Base-Backbone interact. energy: -2.915
local terms energy: -248.520032
where:
bonds (distance) C4'-P energy: -42.722
bonds (distance) P-C4' energy: -45.664
flat angles C4'-P-C4' energy: -52.346
flat angles P-C4'-P energy: -37.941
tors. eta vs tors. theta energy: -69.847
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: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -820.315248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.315248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.315248 (E_RNA)
where:
Base-Base interactions energy: -585.323
where: short stacking energy: -249.180
Base-Backbone interact. energy: 0.823
local terms energy: -235.815714
where:
bonds (distance) C4'-P energy: -40.829
bonds (distance) P-C4' energy: -38.968
flat angles C4'-P-C4' energy: -47.011
flat angles P-C4'-P energy: -34.934
tors. eta vs tors. theta energy: -74.074
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: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -755.380675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.380675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.380675 (E_RNA)
where:
Base-Base interactions energy: -525.188
where: short stacking energy: -210.205
Base-Backbone interact. energy: -1.617
local terms energy: -228.576385
where:
bonds (distance) C4'-P energy: -44.406
bonds (distance) P-C4' energy: -38.861
flat angles C4'-P-C4' energy: -50.923
flat angles P-C4'-P energy: -35.250
tors. eta vs tors. theta energy: -59.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -664.737118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.737118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.737118 (E_RNA)
where:
Base-Base interactions energy: -462.280
where: short stacking energy: -186.852
Base-Backbone interact. energy: -1.172
local terms energy: -201.285018
where:
bonds (distance) C4'-P energy: -40.693
bonds (distance) P-C4' energy: -43.388
flat angles C4'-P-C4' energy: -47.066
flat angles P-C4'-P energy: -28.340
tors. eta vs tors. theta energy: -41.798
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: 338
Temperature: 1.150000
Total energy: -655.164845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.164845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.164845 (E_RNA)
where:
Base-Base interactions energy: -445.047
where: short stacking energy: -196.286
Base-Backbone interact. energy: -1.157
local terms energy: -208.960765
where:
bonds (distance) C4'-P energy: -38.220
bonds (distance) P-C4' energy: -50.893
flat angles C4'-P-C4' energy: -46.151
flat angles P-C4'-P energy: -23.262
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: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -607.560659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.560659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.560659 (E_RNA)
where:
Base-Base interactions energy: -407.926
where: short stacking energy: -177.852
Base-Backbone interact. energy: -0.816
local terms energy: -198.818954
where:
bonds (distance) C4'-P energy: -43.179
bonds (distance) P-C4' energy: -38.570
flat angles C4'-P-C4' energy: -47.539
flat angles P-C4'-P energy: -24.437
tors. eta vs tors. theta energy: -45.095
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: 8, replica: 2
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -502.679859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.679859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.679859 (E_RNA)
where:
Base-Base interactions energy: -339.406
where: short stacking energy: -158.636
Base-Backbone interact. energy: 0.620
local terms energy: -163.893482
where:
bonds (distance) C4'-P energy: -34.733
bonds (distance) P-C4' energy: -31.421
flat angles C4'-P-C4' energy: -42.806
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -34.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -323.638662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.638662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.638662 (E_RNA)
where:
Base-Base interactions energy: -171.378
where: short stacking energy: -95.335
Base-Backbone interact. energy: -1.958
local terms energy: -150.303102
where:
bonds (distance) C4'-P energy: -43.621
bonds (distance) P-C4' energy: -45.144
flat angles C4'-P-C4' energy: -33.449
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -14.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -311.038499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.038499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.038499 (E_RNA)
where:
Base-Base interactions energy: -166.659
where: short stacking energy: -103.536
Base-Backbone interact. energy: -1.307
local terms energy: -143.071898
where:
bonds (distance) C4'-P energy: -38.683
bonds (distance) P-C4' energy: -33.626
flat angles C4'-P-C4' energy: -30.339
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -859.102594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.102594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.102594 (E_RNA)
where:
Base-Base interactions energy: -605.324
where: short stacking energy: -244.167
Base-Backbone interact. energy: -0.917
local terms energy: -252.861524
where:
bonds (distance) C4'-P energy: -48.502
bonds (distance) P-C4' energy: -47.817
flat angles C4'-P-C4' energy: -49.250
flat angles P-C4'-P energy: -39.092
tors. eta vs tors. theta energy: -68.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -835.238031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.238031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.238031 (E_RNA)
where:
Base-Base interactions energy: -570.771
where: short stacking energy: -248.026
Base-Backbone interact. energy: -0.111
local terms energy: -264.355339
where:
bonds (distance) C4'-P energy: -47.040
bonds (distance) P-C4' energy: -42.745
flat angles C4'-P-C4' energy: -51.554
flat angles P-C4'-P energy: -43.913
tors. eta vs tors. theta energy: -79.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -778.020152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.020152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.020152 (E_RNA)
where:
Base-Base interactions energy: -544.799
where: short stacking energy: -236.480
Base-Backbone interact. energy: -0.283
local terms energy: -232.938046
where:
bonds (distance) C4'-P energy: -47.260
bonds (distance) P-C4' energy: -42.341
flat angles C4'-P-C4' energy: -41.556
flat angles P-C4'-P energy: -34.629
tors. eta vs tors. theta energy: -67.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -732.293533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.293533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.293533 (E_RNA)
where:
Base-Base interactions energy: -505.745
where: short stacking energy: -201.552
Base-Backbone interact. energy: -0.898
local terms energy: -225.649839
where:
bonds (distance) C4'-P energy: -43.256
bonds (distance) P-C4' energy: -42.570
flat angles C4'-P-C4' energy: -51.518
flat angles P-C4'-P energy: -34.606
tors. eta vs tors. theta energy: -53.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -700.751856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.751856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.751856 (E_RNA)
where:
Base-Base interactions energy: -484.906
where: short stacking energy: -190.415
Base-Backbone interact. energy: -0.720
local terms energy: -215.125669
where:
bonds (distance) C4'-P energy: -36.251
bonds (distance) P-C4' energy: -51.653
flat angles C4'-P-C4' energy: -43.815
flat angles P-C4'-P energy: -33.507
tors. eta vs tors. theta energy: -49.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -666.920922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.920922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.920922 (E_RNA)
where:
Base-Base interactions energy: -456.368
where: short stacking energy: -191.178
Base-Backbone interact. energy: -0.310
local terms energy: -210.242586
where:
bonds (distance) C4'-P energy: -38.735
bonds (distance) P-C4' energy: -37.054
flat angles C4'-P-C4' energy: -46.352
flat angles P-C4'-P energy: -30.776
tors. eta vs tors. theta energy: -57.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -648.200516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.200516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.200516 (E_RNA)
where:
Base-Base interactions energy: -440.816
where: short stacking energy: -201.246
Base-Backbone interact. energy: -1.733
local terms energy: -205.651201
where:
bonds (distance) C4'-P energy: -37.805
bonds (distance) P-C4' energy: -42.974
flat angles C4'-P-C4' energy: -50.371
flat angles P-C4'-P energy: -27.521
tors. eta vs tors. theta energy: -46.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -486.304353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.304353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.304353 (E_RNA)
where:
Base-Base interactions energy: -311.574
where: short stacking energy: -147.410
Base-Backbone interact. energy: -1.399
local terms energy: -173.331226
where:
bonds (distance) C4'-P energy: -33.200
bonds (distance) P-C4' energy: -49.542
flat angles C4'-P-C4' energy: -41.513
flat angles P-C4'-P energy: -19.810
tors. eta vs tors. theta energy: -29.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -302.681620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.681620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.681620 (E_RNA)
where:
Base-Base interactions energy: -164.717
where: short stacking energy: -84.712
Base-Backbone interact. energy: -1.757
local terms energy: -136.207235
where:
bonds (distance) C4'-P energy: -45.430
bonds (distance) P-C4' energy: -36.554
flat angles C4'-P-C4' energy: -36.962
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: 4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -310.665474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.665474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.665474 (E_RNA)
where:
Base-Base interactions energy: -160.765
where: short stacking energy: -95.149
Base-Backbone interact. energy: -0.554
local terms energy: -149.346386
where:
bonds (distance) C4'-P energy: -37.231
bonds (distance) P-C4' energy: -37.959
flat angles C4'-P-C4' energy: -40.613
flat angles P-C4'-P energy: -23.401
tors. eta vs tors. theta energy: -10.143
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: 340
Temperature: 0.900000
Total energy: -839.222963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.222963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.222963 (E_RNA)
where:
Base-Base interactions energy: -599.841
where: short stacking energy: -234.370
Base-Backbone interact. energy: 0.271
local terms energy: -239.653784
where:
bonds (distance) C4'-P energy: -41.589
bonds (distance) P-C4' energy: -44.646
flat angles C4'-P-C4' energy: -48.179
flat angles P-C4'-P energy: -35.719
tors. eta vs tors. theta energy: -69.521
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: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -843.603182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.603182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.603182 (E_RNA)
where:
Base-Base interactions energy: -593.546
where: short stacking energy: -242.072
Base-Backbone interact. energy: 0.177
local terms energy: -250.234426
where:
bonds (distance) C4'-P energy: -47.785
bonds (distance) P-C4' energy: -41.239
flat angles C4'-P-C4' energy: -49.959
flat angles P-C4'-P energy: -36.424
tors. eta vs tors. theta energy: -74.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -775.449486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.449486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.449486 (E_RNA)
where:
Base-Base interactions energy: -533.914
where: short stacking energy: -230.343
Base-Backbone interact. energy: -1.823
local terms energy: -239.712672
where:
bonds (distance) C4'-P energy: -47.597
bonds (distance) P-C4' energy: -42.353
flat angles C4'-P-C4' energy: -55.853
flat angles P-C4'-P energy: -27.487
tors. eta vs tors. theta energy: -66.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -772.819646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.819646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.819646 (E_RNA)
where:
Base-Base interactions energy: -529.636
where: short stacking energy: -231.728
Base-Backbone interact. energy: -1.538
local terms energy: -241.645573
where:
bonds (distance) C4'-P energy: -43.443
bonds (distance) P-C4' energy: -49.064
flat angles C4'-P-C4' energy: -49.906
flat angles P-C4'-P energy: -32.735
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: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -675.196915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.196915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.196915 (E_RNA)
where:
Base-Base interactions energy: -452.657
where: short stacking energy: -199.380
Base-Backbone interact. energy: -2.732
local terms energy: -219.807825
where:
bonds (distance) C4'-P energy: -47.106
bonds (distance) P-C4' energy: -36.958
flat angles C4'-P-C4' energy: -47.248
flat angles P-C4'-P energy: -30.259
tors. eta vs tors. theta energy: -58.236
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: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -672.812746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.812746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.812746 (E_RNA)
where:
Base-Base interactions energy: -468.585
where: short stacking energy: -184.518
Base-Backbone interact. energy: -1.074
local terms energy: -203.153094
where:
bonds (distance) C4'-P energy: -38.981
bonds (distance) P-C4' energy: -48.192
flat angles C4'-P-C4' energy: -47.082
flat angles P-C4'-P energy: -30.545
tors. eta vs tors. theta energy: -38.354
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: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -654.453592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.453592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.453592 (E_RNA)
where:
Base-Base interactions energy: -454.898
where: short stacking energy: -194.795
Base-Backbone interact. energy: 1.169
local terms energy: -200.724634
where:
bonds (distance) C4'-P energy: -43.562
bonds (distance) P-C4' energy: -39.508
flat angles C4'-P-C4' energy: -41.363
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -52.455
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: 8, replica: 2
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -479.877722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.877722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.877722 (E_RNA)
where:
Base-Base interactions energy: -315.847
where: short stacking energy: -144.872
Base-Backbone interact. energy: -1.036
local terms energy: -162.995652
where:
bonds (distance) C4'-P energy: -41.201
bonds (distance) P-C4' energy: -38.646
flat angles C4'-P-C4' energy: -41.025
flat angles P-C4'-P energy: -20.368
tors. eta vs tors. theta energy: -21.755
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: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -366.782701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.782701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.782701 (E_RNA)
where:
Base-Base interactions energy: -209.011
where: short stacking energy: -139.709
Base-Backbone interact. energy: -0.864
local terms energy: -156.908102
where:
bonds (distance) C4'-P energy: -36.327
bonds (distance) P-C4' energy: -33.456
flat angles C4'-P-C4' energy: -38.405
flat angles P-C4'-P energy: -25.592
tors. eta vs tors. theta energy: -23.128
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: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -283.099111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.099111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.099111 (E_RNA)
where:
Base-Base interactions energy: -140.855
where: short stacking energy: -80.668
Base-Backbone interact. energy: -0.104
local terms energy: -142.139833
where:
bonds (distance) C4'-P energy: -35.365
bonds (distance) P-C4' energy: -43.411
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -27.922
tors. eta vs tors. theta energy: -6.074
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: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -865.597462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.597462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.597462 (E_RNA)
where:
Base-Base interactions energy: -601.171
where: short stacking energy: -241.110
Base-Backbone interact. energy: -1.694
local terms energy: -262.732947
where:
bonds (distance) C4'-P energy: -47.781
bonds (distance) P-C4' energy: -44.518
flat angles C4'-P-C4' energy: -59.096
flat angles P-C4'-P energy: -39.039
tors. eta vs tors. theta energy: -72.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -843.271876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.271876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.271876 (E_RNA)
where:
Base-Base interactions energy: -589.516
where: short stacking energy: -252.506
Base-Backbone interact. energy: -0.648
local terms energy: -253.107104
where:
bonds (distance) C4'-P energy: -46.267
bonds (distance) P-C4' energy: -42.604
flat angles C4'-P-C4' energy: -52.122
flat angles P-C4'-P energy: -34.571
tors. eta vs tors. theta energy: -77.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -752.103361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.103361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.103361 (E_RNA)
where:
Base-Base interactions energy: -532.207
where: short stacking energy: -224.212
Base-Backbone interact. energy: 0.076
local terms energy: -219.972082
where:
bonds (distance) C4'-P energy: -37.425
bonds (distance) P-C4' energy: -39.147
flat angles C4'-P-C4' energy: -42.134
flat angles P-C4'-P energy: -38.668
tors. eta vs tors. theta energy: -62.598
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: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -762.941768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.941768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.941768 (E_RNA)
where:
Base-Base interactions energy: -520.917
where: short stacking energy: -225.265
Base-Backbone interact. energy: 0.576
local terms energy: -242.601407
where:
bonds (distance) C4'-P energy: -45.342
bonds (distance) P-C4' energy: -41.096
flat angles C4'-P-C4' energy: -53.140
flat angles P-C4'-P energy: -37.775
tors. eta vs tors. theta energy: -65.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -673.821780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.821780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.821780 (E_RNA)
where:
Base-Base interactions energy: -468.443
where: short stacking energy: -211.760
Base-Backbone interact. energy: 1.285
local terms energy: -206.663259
where:
bonds (distance) C4'-P energy: -44.821
bonds (distance) P-C4' energy: -37.040
flat angles C4'-P-C4' energy: -41.570
flat angles P-C4'-P energy: -26.842
tors. eta vs tors. theta energy: -56.390
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: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -652.421797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.421797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.421797 (E_RNA)
where:
Base-Base interactions energy: -458.399
where: short stacking energy: -197.231
Base-Backbone interact. energy: -0.666
local terms energy: -193.356752
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -40.410
flat angles C4'-P-C4' energy: -50.447
flat angles P-C4'-P energy: -31.575
tors. eta vs tors. theta energy: -47.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -634.224182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.224182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.224182 (E_RNA)
where:
Base-Base interactions energy: -447.044
where: short stacking energy: -178.887
Base-Backbone interact. energy: -0.025
local terms energy: -187.155311
where:
bonds (distance) C4'-P energy: -38.315
bonds (distance) P-C4' energy: -40.158
flat angles C4'-P-C4' energy: -42.854
flat angles P-C4'-P energy: -21.277
tors. eta vs tors. theta energy: -44.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -495.995615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.995615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.995615 (E_RNA)
where:
Base-Base interactions energy: -292.271
where: short stacking energy: -143.148
Base-Backbone interact. energy: -0.452
local terms energy: -203.272351
where:
bonds (distance) C4'-P energy: -42.713
bonds (distance) P-C4' energy: -50.156
flat angles C4'-P-C4' energy: -43.941
flat angles P-C4'-P energy: -22.423
tors. eta vs tors. theta energy: -44.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -342.040553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.040553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.040553 (E_RNA)
where:
Base-Base interactions energy: -200.204
where: short stacking energy: -118.509
Base-Backbone interact. energy: -0.034
local terms energy: -141.802596
where:
bonds (distance) C4'-P energy: -38.007
bonds (distance) P-C4' energy: -41.265
flat angles C4'-P-C4' energy: -36.776
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -12.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -270.548287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.548287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.548287 (E_RNA)
where:
Base-Base interactions energy: -132.751
where: short stacking energy: -82.848
Base-Backbone interact. energy: 1.095
local terms energy: -138.892896
where:
bonds (distance) C4'-P energy: -33.826
bonds (distance) P-C4' energy: -37.324
flat angles C4'-P-C4' energy: -44.859
flat angles P-C4'-P energy: -23.749
tors. eta vs tors. theta energy: 0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -853.846623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.846623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.846623 (E_RNA)
where:
Base-Base interactions energy: -611.027
where: short stacking energy: -253.467
Base-Backbone interact. energy: -0.420
local terms energy: -242.400156
where:
bonds (distance) C4'-P energy: -52.437
bonds (distance) P-C4' energy: -36.102
flat angles C4'-P-C4' energy: -46.406
flat angles P-C4'-P energy: -32.548
tors. eta vs tors. theta energy: -74.907
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: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -836.343552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.343552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.343552 (E_RNA)
where:
Base-Base interactions energy: -589.097
where: short stacking energy: -237.273
Base-Backbone interact. energy: -1.040
local terms energy: -246.206951
where:
bonds (distance) C4'-P energy: -38.119
bonds (distance) P-C4' energy: -48.830
flat angles C4'-P-C4' energy: -53.766
flat angles P-C4'-P energy: -38.965
tors. eta vs tors. theta energy: -66.528
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: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -759.917728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.917728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.917728 (E_RNA)
where:
Base-Base interactions energy: -523.330
where: short stacking energy: -239.551
Base-Backbone interact. energy: -1.493
local terms energy: -235.094734
where:
bonds (distance) C4'-P energy: -43.743
bonds (distance) P-C4' energy: -46.418
flat angles C4'-P-C4' energy: -50.872
flat angles P-C4'-P energy: -30.813
tors. eta vs tors. theta energy: -63.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -764.173176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.173176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.173176 (E_RNA)
where:
Base-Base interactions energy: -515.445
where: short stacking energy: -221.820
Base-Backbone interact. energy: -1.487
local terms energy: -247.241593
where:
bonds (distance) C4'-P energy: -45.401
bonds (distance) P-C4' energy: -50.814
flat angles C4'-P-C4' energy: -57.435
flat angles P-C4'-P energy: -30.815
tors. eta vs tors. theta energy: -62.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -689.749304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.749304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.749304 (E_RNA)
where:
Base-Base interactions energy: -475.282
where: short stacking energy: -212.699
Base-Backbone interact. energy: -0.484
local terms energy: -213.982488
where:
bonds (distance) C4'-P energy: -43.377
bonds (distance) P-C4' energy: -42.202
flat angles C4'-P-C4' energy: -41.003
flat angles P-C4'-P energy: -31.447
tors. eta vs tors. theta energy: -55.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -684.167497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.167497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.167497 (E_RNA)
where:
Base-Base interactions energy: -472.648
where: short stacking energy: -206.603
Base-Backbone interact. energy: -0.690
local terms energy: -210.829910
where:
bonds (distance) C4'-P energy: -40.490
bonds (distance) P-C4' energy: -45.337
flat angles C4'-P-C4' energy: -41.827
flat angles P-C4'-P energy: -31.470
tors. eta vs tors. theta energy: -51.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -595.384549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.384549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.384549 (E_RNA)
where:
Base-Base interactions energy: -400.365
where: short stacking energy: -178.166
Base-Backbone interact. energy: 1.520
local terms energy: -196.539136
where:
bonds (distance) C4'-P energy: -34.930
bonds (distance) P-C4' energy: -50.802
flat angles C4'-P-C4' energy: -40.336
flat angles P-C4'-P energy: -25.019
tors. eta vs tors. theta energy: -45.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -474.508795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.508795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.508795 (E_RNA)
where:
Base-Base interactions energy: -302.753
where: short stacking energy: -127.507
Base-Backbone interact. energy: -0.991
local terms energy: -170.765535
where:
bonds (distance) C4'-P energy: -30.495
bonds (distance) P-C4' energy: -46.203
flat angles C4'-P-C4' energy: -44.376
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -34.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -405.376109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.376109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.376109 (E_RNA)
where:
Base-Base interactions energy: -224.038
where: short stacking energy: -135.191
Base-Backbone interact. energy: -0.867
local terms energy: -180.471197
where:
bonds (distance) C4'-P energy: -34.362
bonds (distance) P-C4' energy: -42.889
flat angles C4'-P-C4' energy: -43.932
flat angles P-C4'-P energy: -29.724
tors. eta vs tors. theta energy: -29.564
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: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -273.985836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.985836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.985836 (E_RNA)
where:
Base-Base interactions energy: -135.558
where: short stacking energy: -79.548
Base-Backbone interact. energy: -0.537
local terms energy: -137.890901
where:
bonds (distance) C4'-P energy: -39.828
bonds (distance) P-C4' energy: -47.701
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -21.882
tors. eta vs tors. theta energy: -6.509
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: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -855.596543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.596543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.596543 (E_RNA)
where:
Base-Base interactions energy: -591.240
where: short stacking energy: -252.780
Base-Backbone interact. energy: -1.079
local terms energy: -263.277809
where:
bonds (distance) C4'-P energy: -49.667
bonds (distance) P-C4' energy: -46.304
flat angles C4'-P-C4' energy: -54.705
flat angles P-C4'-P energy: -38.793
tors. eta vs tors. theta energy: -73.809
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: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -835.613014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.613014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.613014 (E_RNA)
where:
Base-Base interactions energy: -592.120
where: short stacking energy: -234.113
Base-Backbone interact. energy: -1.005
local terms energy: -242.488140
where:
bonds (distance) C4'-P energy: -51.872
bonds (distance) P-C4' energy: -48.837
flat angles C4'-P-C4' energy: -47.547
flat angles P-C4'-P energy: -30.261
tors. eta vs tors. theta energy: -63.971
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: 343
Temperature: 1.000000
Total energy: -771.548354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.548354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.548354 (E_RNA)
where:
Base-Base interactions energy: -529.837
where: short stacking energy: -219.452
Base-Backbone interact. energy: -0.558
local terms energy: -241.153406
where:
bonds (distance) C4'-P energy: -47.227
bonds (distance) P-C4' energy: -45.432
flat angles C4'-P-C4' energy: -46.356
flat angles P-C4'-P energy: -34.094
tors. eta vs tors. theta energy: -68.043
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: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -741.496565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.496565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.496565 (E_RNA)
where:
Base-Base interactions energy: -505.506
where: short stacking energy: -218.588
Base-Backbone interact. energy: -2.293
local terms energy: -233.697211
where:
bonds (distance) C4'-P energy: -47.875
bonds (distance) P-C4' energy: -40.315
flat angles C4'-P-C4' energy: -49.873
flat angles P-C4'-P energy: -32.833
tors. eta vs tors. theta energy: -62.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -715.327917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.327917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.327917 (E_RNA)
where:
Base-Base interactions energy: -467.495
where: short stacking energy: -204.280
Base-Backbone interact. energy: -1.343
local terms energy: -246.489922
where:
bonds (distance) C4'-P energy: -50.016
bonds (distance) P-C4' energy: -41.125
flat angles C4'-P-C4' energy: -51.865
flat angles P-C4'-P energy: -40.020
tors. eta vs tors. theta energy: -63.464
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: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -671.275476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.275476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.275476 (E_RNA)
where:
Base-Base interactions energy: -465.145
where: short stacking energy: -205.056
Base-Backbone interact. energy: 0.201
local terms energy: -206.331145
where:
bonds (distance) C4'-P energy: -34.745
bonds (distance) P-C4' energy: -31.872
flat angles C4'-P-C4' energy: -43.596
flat angles P-C4'-P energy: -38.809
tors. eta vs tors. theta energy: -57.310
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: 7
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -580.878063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.878063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.878063 (E_RNA)
where:
Base-Base interactions energy: -406.581
where: short stacking energy: -175.145
Base-Backbone interact. energy: -0.137
local terms energy: -174.159669
where:
bonds (distance) C4'-P energy: -29.890
bonds (distance) P-C4' energy: -36.337
flat angles C4'-P-C4' energy: -40.769
flat angles P-C4'-P energy: -31.829
tors. eta vs tors. theta energy: -35.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -488.093111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.093111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.093111 (E_RNA)
where:
Base-Base interactions energy: -295.865
where: short stacking energy: -138.074
Base-Backbone interact. energy: -0.943
local terms energy: -191.285312
where:
bonds (distance) C4'-P energy: -43.693
bonds (distance) P-C4' energy: -49.154
flat angles C4'-P-C4' energy: -40.121
flat angles P-C4'-P energy: -26.813
tors. eta vs tors. theta energy: -31.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -362.317479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.317479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.317479 (E_RNA)
where:
Base-Base interactions energy: -208.171
where: short stacking energy: -105.086
Base-Backbone interact. energy: 0.000
local terms energy: -154.146678
where:
bonds (distance) C4'-P energy: -37.441
bonds (distance) P-C4' energy: -40.653
flat angles C4'-P-C4' energy: -45.673
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -10.268
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: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -268.934275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.934275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.934275 (E_RNA)
where:
Base-Base interactions energy: -127.771
where: short stacking energy: -71.791
Base-Backbone interact. energy: -1.629
local terms energy: -139.534292
where:
bonds (distance) C4'-P energy: -37.201
bonds (distance) P-C4' energy: -25.573
flat angles C4'-P-C4' energy: -41.958
flat angles P-C4'-P energy: -31.606
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -842.746414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.746414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.746414 (E_RNA)
where:
Base-Base interactions energy: -601.045
where: short stacking energy: -238.415
Base-Backbone interact. energy: 0.358
local terms energy: -242.059950
where:
bonds (distance) C4'-P energy: -43.837
bonds (distance) P-C4' energy: -41.765
flat angles C4'-P-C4' energy: -49.193
flat angles P-C4'-P energy: -37.170
tors. eta vs tors. theta energy: -70.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -838.004174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.004174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.004174 (E_RNA)
where:
Base-Base interactions energy: -583.116
where: short stacking energy: -253.710
Base-Backbone interact. energy: -0.481
local terms energy: -254.407644
where:
bonds (distance) C4'-P energy: -47.471
bonds (distance) P-C4' energy: -51.277
flat angles C4'-P-C4' energy: -44.495
flat angles P-C4'-P energy: -33.101
tors. eta vs tors. theta energy: -78.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -776.346412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.346412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.346412 (E_RNA)
where:
Base-Base interactions energy: -522.738
where: short stacking energy: -236.425
Base-Backbone interact. energy: -1.541
local terms energy: -252.067933
where:
bonds (distance) C4'-P energy: -44.294
bonds (distance) P-C4' energy: -48.423
flat angles C4'-P-C4' energy: -55.070
flat angles P-C4'-P energy: -36.746
tors. eta vs tors. theta energy: -67.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -735.853528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.853528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.853528 (E_RNA)
where:
Base-Base interactions energy: -500.392
where: short stacking energy: -200.461
Base-Backbone interact. energy: -1.328
local terms energy: -234.132912
where:
bonds (distance) C4'-P energy: -45.601
bonds (distance) P-C4' energy: -42.063
flat angles C4'-P-C4' energy: -54.295
flat angles P-C4'-P energy: -27.616
tors. eta vs tors. theta energy: -64.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -681.606966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.606966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.606966 (E_RNA)
where:
Base-Base interactions energy: -460.582
where: short stacking energy: -212.375
Base-Backbone interact. energy: -1.524
local terms energy: -219.500588
where:
bonds (distance) C4'-P energy: -40.325
bonds (distance) P-C4' energy: -42.879
flat angles C4'-P-C4' energy: -48.489
flat angles P-C4'-P energy: -32.225
tors. eta vs tors. theta energy: -55.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -655.962132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.962132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.962132 (E_RNA)
where:
Base-Base interactions energy: -455.120
where: short stacking energy: -194.363
Base-Backbone interact. energy: 0.576
local terms energy: -201.417776
where:
bonds (distance) C4'-P energy: -39.803
bonds (distance) P-C4' energy: -42.746
flat angles C4'-P-C4' energy: -44.658
flat angles P-C4'-P energy: -23.208
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: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -591.049712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.049712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.049712 (E_RNA)
where:
Base-Base interactions energy: -392.441
where: short stacking energy: -173.921
Base-Backbone interact. energy: -2.572
local terms energy: -196.036653
where:
bonds (distance) C4'-P energy: -30.677
bonds (distance) P-C4' energy: -40.187
flat angles C4'-P-C4' energy: -46.864
flat angles P-C4'-P energy: -37.904
tors. eta vs tors. theta energy: -40.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -467.801832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.801832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.801832 (E_RNA)
where:
Base-Base interactions energy: -289.462
where: short stacking energy: -131.335
Base-Backbone interact. energy: -0.729
local terms energy: -177.610900
where:
bonds (distance) C4'-P energy: -46.073
bonds (distance) P-C4' energy: -44.211
flat angles C4'-P-C4' energy: -40.422
flat angles P-C4'-P energy: -25.278
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -330.078258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.078258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.078258 (E_RNA)
where:
Base-Base interactions energy: -183.335
where: short stacking energy: -110.061
Base-Backbone interact. energy: 1.159
local terms energy: -147.902118
where:
bonds (distance) C4'-P energy: -36.291
bonds (distance) P-C4' energy: -37.328
flat angles C4'-P-C4' energy: -37.021
flat angles P-C4'-P energy: -24.389
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -320.283787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.283787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.283787 (E_RNA)
where:
Base-Base interactions energy: -174.259
where: short stacking energy: -109.972
Base-Backbone interact. energy: 2.678
local terms energy: -148.703140
where:
bonds (distance) C4'-P energy: -41.283
bonds (distance) P-C4' energy: -50.502
flat angles C4'-P-C4' energy: -37.419
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -12.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -846.592797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.592797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.592797 (E_RNA)
where:
Base-Base interactions energy: -598.056
where: short stacking energy: -238.381
Base-Backbone interact. energy: -1.551
local terms energy: -246.985467
where:
bonds (distance) C4'-P energy: -46.145
bonds (distance) P-C4' energy: -48.703
flat angles C4'-P-C4' energy: -50.825
flat angles P-C4'-P energy: -30.585
tors. eta vs tors. theta energy: -70.727
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: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -832.652428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.652428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.652428 (E_RNA)
where:
Base-Base interactions energy: -572.535
where: short stacking energy: -257.305
Base-Backbone interact. energy: -0.014
local terms energy: -260.103974
where:
bonds (distance) C4'-P energy: -47.750
bonds (distance) P-C4' energy: -53.172
flat angles C4'-P-C4' energy: -53.630
flat angles P-C4'-P energy: -33.821
tors. eta vs tors. theta energy: -71.731
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: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -767.883422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.883422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.883422 (E_RNA)
where:
Base-Base interactions energy: -525.087
where: short stacking energy: -215.409
Base-Backbone interact. energy: -0.952
local terms energy: -241.845037
where:
bonds (distance) C4'-P energy: -45.420
bonds (distance) P-C4' energy: -44.734
flat angles C4'-P-C4' energy: -54.983
flat angles P-C4'-P energy: -29.090
tors. eta vs tors. theta energy: -67.617
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: 4, replica: 6
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -715.454990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.454990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.454990 (E_RNA)
where:
Base-Base interactions energy: -493.352
where: short stacking energy: -218.636
Base-Backbone interact. energy: -1.189
local terms energy: -220.914090
where:
bonds (distance) C4'-P energy: -41.397
bonds (distance) P-C4' energy: -38.505
flat angles C4'-P-C4' energy: -52.733
flat angles P-C4'-P energy: -30.963
tors. eta vs tors. theta energy: -57.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -741.885406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.885406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.885406 (E_RNA)
where:
Base-Base interactions energy: -515.326
where: short stacking energy: -216.572
Base-Backbone interact. energy: -0.428
local terms energy: -226.131376
where:
bonds (distance) C4'-P energy: -42.419
bonds (distance) P-C4' energy: -38.330
flat angles C4'-P-C4' energy: -51.993
flat angles P-C4'-P energy: -32.030
tors. eta vs tors. theta energy: -61.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -676.971543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.971543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.971543 (E_RNA)
where:
Base-Base interactions energy: -459.851
where: short stacking energy: -195.696
Base-Backbone interact. energy: 1.676
local terms energy: -218.795987
where:
bonds (distance) C4'-P energy: -37.636
bonds (distance) P-C4' energy: -48.135
flat angles C4'-P-C4' energy: -50.934
flat angles P-C4'-P energy: -30.934
tors. eta vs tors. theta energy: -51.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -610.064284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.064284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.064284 (E_RNA)
where:
Base-Base interactions energy: -430.339
where: short stacking energy: -189.582
Base-Backbone interact. energy: -1.621
local terms energy: -178.104020
where:
bonds (distance) C4'-P energy: -43.304
bonds (distance) P-C4' energy: -37.236
flat angles C4'-P-C4' energy: -43.544
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -41.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -469.735229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.735229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.735229 (E_RNA)
where:
Base-Base interactions energy: -300.888
where: short stacking energy: -134.639
Base-Backbone interact. energy: -0.429
local terms energy: -168.418555
where:
bonds (distance) C4'-P energy: -34.068
bonds (distance) P-C4' energy: -40.884
flat angles C4'-P-C4' energy: -42.164
flat angles P-C4'-P energy: -31.235
tors. eta vs tors. theta energy: -20.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -342.610606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.610606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.610606 (E_RNA)
where:
Base-Base interactions energy: -171.056
where: short stacking energy: -102.770
Base-Backbone interact. energy: -0.523
local terms energy: -171.031343
where:
bonds (distance) C4'-P energy: -44.022
bonds (distance) P-C4' energy: -46.127
flat angles C4'-P-C4' energy: -34.944
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: -22.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -304.114419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.114419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.114419 (E_RNA)
where:
Base-Base interactions energy: -157.313
where: short stacking energy: -89.309
Base-Backbone interact. energy: -0.994
local terms energy: -145.807194
where:
bonds (distance) C4'-P energy: -35.694
bonds (distance) P-C4' energy: -39.301
flat angles C4'-P-C4' energy: -36.499
flat angles P-C4'-P energy: -29.560
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -838.528358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.528358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.528358 (E_RNA)
where:
Base-Base interactions energy: -577.095
where: short stacking energy: -259.301
Base-Backbone interact. energy: 1.121
local terms energy: -262.554821
where:
bonds (distance) C4'-P energy: -46.963
bonds (distance) P-C4' energy: -48.605
flat angles C4'-P-C4' energy: -54.204
flat angles P-C4'-P energy: -37.617
tors. eta vs tors. theta energy: -75.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -836.556310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.556310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.556310 (E_RNA)
where:
Base-Base interactions energy: -591.133
where: short stacking energy: -239.310
Base-Backbone interact. energy: -1.568
local terms energy: -243.855026
where:
bonds (distance) C4'-P energy: -45.789
bonds (distance) P-C4' energy: -44.425
flat angles C4'-P-C4' energy: -43.428
flat angles P-C4'-P energy: -40.241
tors. eta vs tors. theta energy: -69.972
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: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -760.293265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.293265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.293265 (E_RNA)
where:
Base-Base interactions energy: -524.578
where: short stacking energy: -230.104
Base-Backbone interact. energy: -0.537
local terms energy: -235.178289
where:
bonds (distance) C4'-P energy: -44.368
bonds (distance) P-C4' energy: -46.158
flat angles C4'-P-C4' energy: -48.888
flat angles P-C4'-P energy: -27.143
tors. eta vs tors. theta energy: -68.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -727.044633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.044633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.044633 (E_RNA)
where:
Base-Base interactions energy: -499.064
where: short stacking energy: -205.925
Base-Backbone interact. energy: -1.034
local terms energy: -226.946808
where:
bonds (distance) C4'-P energy: -41.151
bonds (distance) P-C4' energy: -43.330
flat angles C4'-P-C4' energy: -51.829
flat angles P-C4'-P energy: -32.148
tors. eta vs tors. theta energy: -58.488
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: 5, replica: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -740.373053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.373053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.373053 (E_RNA)
where:
Base-Base interactions energy: -521.519
where: short stacking energy: -205.542
Base-Backbone interact. energy: 0.741
local terms energy: -219.595122
where:
bonds (distance) C4'-P energy: -41.164
bonds (distance) P-C4' energy: -42.027
flat angles C4'-P-C4' energy: -46.117
flat angles P-C4'-P energy: -31.657
tors. eta vs tors. theta energy: -58.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -677.910057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.910057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.910057 (E_RNA)
where:
Base-Base interactions energy: -478.688
where: short stacking energy: -202.976
Base-Backbone interact. energy: -1.042
local terms energy: -198.179827
where:
bonds (distance) C4'-P energy: -38.495
bonds (distance) P-C4' energy: -34.788
flat angles C4'-P-C4' energy: -44.638
flat angles P-C4'-P energy: -28.128
tors. eta vs tors. theta energy: -52.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -568.231972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.231972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.231972 (E_RNA)
where:
Base-Base interactions energy: -373.872
where: short stacking energy: -156.007
Base-Backbone interact. energy: 0.210
local terms energy: -194.570037
where:
bonds (distance) C4'-P energy: -40.083
bonds (distance) P-C4' energy: -50.200
flat angles C4'-P-C4' energy: -44.038
flat angles P-C4'-P energy: -33.010
tors. eta vs tors. theta energy: -27.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -462.065009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.065009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.065009 (E_RNA)
where:
Base-Base interactions energy: -294.067
where: short stacking energy: -124.233
Base-Backbone interact. energy: 0.332
local terms energy: -168.330075
where:
bonds (distance) C4'-P energy: -41.743
bonds (distance) P-C4' energy: -44.544
flat angles C4'-P-C4' energy: -38.320
flat angles P-C4'-P energy: -29.050
tors. eta vs tors. theta energy: -14.673
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: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -308.860665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.860665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.860665 (E_RNA)
where:
Base-Base interactions energy: -166.004
where: short stacking energy: -106.799
Base-Backbone interact. energy: 1.102
local terms energy: -143.959438
where:
bonds (distance) C4'-P energy: -32.453
bonds (distance) P-C4' energy: -39.269
flat angles C4'-P-C4' energy: -37.913
flat angles P-C4'-P energy: -21.648
tors. eta vs tors. theta energy: -12.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -310.991811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.991811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.991811 (E_RNA)
where:
Base-Base interactions energy: -179.448
where: short stacking energy: -108.599
Base-Backbone interact. energy: -0.054
local terms energy: -131.489484
where:
bonds (distance) C4'-P energy: -33.261
bonds (distance) P-C4' energy: -32.177
flat angles C4'-P-C4' energy: -23.779
flat angles P-C4'-P energy: -25.667
tors. eta vs tors. theta energy: -16.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -831.382360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.382360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.382360 (E_RNA)
where:
Base-Base interactions energy: -583.975
where: short stacking energy: -250.179
Base-Backbone interact. energy: -0.388
local terms energy: -247.019291
where:
bonds (distance) C4'-P energy: -45.768
bonds (distance) P-C4' energy: -47.694
flat angles C4'-P-C4' energy: -53.280
flat angles P-C4'-P energy: -34.573
tors. eta vs tors. theta energy: -65.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -837.916997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.916997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.916997 (E_RNA)
where:
Base-Base interactions energy: -595.101
where: short stacking energy: -240.915
Base-Backbone interact. energy: 2.449
local terms energy: -245.265325
where:
bonds (distance) C4'-P energy: -45.391
bonds (distance) P-C4' energy: -44.684
flat angles C4'-P-C4' energy: -54.766
flat angles P-C4'-P energy: -36.631
tors. eta vs tors. theta energy: -63.794
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: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -776.501858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.501858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.501858 (E_RNA)
where:
Base-Base interactions energy: -532.184
where: short stacking energy: -233.009
Base-Backbone interact. energy: -0.032
local terms energy: -244.285660
where:
bonds (distance) C4'-P energy: -51.048
bonds (distance) P-C4' energy: -46.992
flat angles C4'-P-C4' energy: -46.841
flat angles P-C4'-P energy: -32.109
tors. eta vs tors. theta energy: -67.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -762.780509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.780509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.780509 (E_RNA)
where:
Base-Base interactions energy: -516.839
where: short stacking energy: -210.212
Base-Backbone interact. energy: -1.465
local terms energy: -244.476124
where:
bonds (distance) C4'-P energy: -49.645
bonds (distance) P-C4' energy: -36.060
flat angles C4'-P-C4' energy: -54.954
flat angles P-C4'-P energy: -34.852
tors. eta vs tors. theta energy: -68.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -707.374852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.374852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.374852 (E_RNA)
where:
Base-Base interactions energy: -481.929
where: short stacking energy: -213.488
Base-Backbone interact. energy: -1.839
local terms energy: -223.607208
where:
bonds (distance) C4'-P energy: -40.897
bonds (distance) P-C4' energy: -43.998
flat angles C4'-P-C4' energy: -48.578
flat angles P-C4'-P energy: -24.013
tors. eta vs tors. theta energy: -66.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -660.764751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.764751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.764751 (E_RNA)
where:
Base-Base interactions energy: -443.969
where: short stacking energy: -188.358
Base-Backbone interact. energy: -1.236
local terms energy: -215.559210
where:
bonds (distance) C4'-P energy: -46.535
bonds (distance) P-C4' energy: -46.598
flat angles C4'-P-C4' energy: -49.504
flat angles P-C4'-P energy: -29.860
tors. eta vs tors. theta energy: -43.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -594.853673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.853673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.853673 (E_RNA)
where:
Base-Base interactions energy: -392.440
where: short stacking energy: -173.762
Base-Backbone interact. energy: 0.237
local terms energy: -202.651404
where:
bonds (distance) C4'-P energy: -41.618
bonds (distance) P-C4' energy: -43.351
flat angles C4'-P-C4' energy: -47.875
flat angles P-C4'-P energy: -28.910
tors. eta vs tors. theta energy: -40.897
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: 347
Temperature: 1.250000
Total energy: -493.250161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.250161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.250161 (E_RNA)
where:
Base-Base interactions energy: -312.544
where: short stacking energy: -135.940
Base-Backbone interact. energy: 0.281
local terms energy: -180.987484
where:
bonds (distance) C4'-P energy: -41.824
bonds (distance) P-C4' energy: -50.642
flat angles C4'-P-C4' energy: -41.461
flat angles P-C4'-P energy: -20.481
tors. eta vs tors. theta energy: -26.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -298.925526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.925526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.925526 (E_RNA)
where:
Base-Base interactions energy: -163.201
where: short stacking energy: -103.449
Base-Backbone interact. energy: -1.339
local terms energy: -134.385176
where:
bonds (distance) C4'-P energy: -34.756
bonds (distance) P-C4' energy: -34.793
flat angles C4'-P-C4' energy: -27.647
flat angles P-C4'-P energy: -24.640
tors. eta vs tors. theta energy: -12.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -299.606906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.606906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.606906 (E_RNA)
where:
Base-Base interactions energy: -146.567
where: short stacking energy: -73.116
Base-Backbone interact. energy: -0.542
local terms energy: -152.497936
where:
bonds (distance) C4'-P energy: -41.050
bonds (distance) P-C4' energy: -45.941
flat angles C4'-P-C4' energy: -33.012
flat angles P-C4'-P energy: -27.286
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -844.558314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.558314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.558314 (E_RNA)
where:
Base-Base interactions energy: -576.596
where: short stacking energy: -250.855
Base-Backbone interact. energy: -0.441
local terms energy: -267.521312
where:
bonds (distance) C4'-P energy: -47.583
bonds (distance) P-C4' energy: -53.164
flat angles C4'-P-C4' energy: -53.287
flat angles P-C4'-P energy: -35.970
tors. eta vs tors. theta energy: -77.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -846.869517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.869517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.869517 (E_RNA)
where:
Base-Base interactions energy: -604.272
where: short stacking energy: -240.897
Base-Backbone interact. energy: -1.944
local terms energy: -240.653020
where:
bonds (distance) C4'-P energy: -46.615
bonds (distance) P-C4' energy: -48.132
flat angles C4'-P-C4' energy: -48.477
flat angles P-C4'-P energy: -30.735
tors. eta vs tors. theta energy: -66.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -783.793178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.793178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.793178 (E_RNA)
where:
Base-Base interactions energy: -542.732
where: short stacking energy: -224.895
Base-Backbone interact. energy: -0.464
local terms energy: -240.598026
where:
bonds (distance) C4'-P energy: -45.195
bonds (distance) P-C4' energy: -40.144
flat angles C4'-P-C4' energy: -54.064
flat angles P-C4'-P energy: -39.050
tors. eta vs tors. theta energy: -62.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -759.085203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.085203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.085203 (E_RNA)
where:
Base-Base interactions energy: -512.975
where: short stacking energy: -226.564
Base-Backbone interact. energy: 0.534
local terms energy: -246.644245
where:
bonds (distance) C4'-P energy: -50.443
bonds (distance) P-C4' energy: -42.244
flat angles C4'-P-C4' energy: -51.402
flat angles P-C4'-P energy: -32.512
tors. eta vs tors. theta energy: -70.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -716.076452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.076452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.076452 (E_RNA)
where:
Base-Base interactions energy: -485.212
where: short stacking energy: -209.528
Base-Backbone interact. energy: 1.186
local terms energy: -232.050436
where:
bonds (distance) C4'-P energy: -48.653
bonds (distance) P-C4' energy: -39.290
flat angles C4'-P-C4' energy: -50.161
flat angles P-C4'-P energy: -37.361
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: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -713.652276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.652276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.652276 (E_RNA)
where:
Base-Base interactions energy: -502.648
where: short stacking energy: -216.877
Base-Backbone interact. energy: 0.228
local terms energy: -211.232163
where:
bonds (distance) C4'-P energy: -43.283
bonds (distance) P-C4' energy: -31.085
flat angles C4'-P-C4' energy: -46.781
flat angles P-C4'-P energy: -30.062
tors. eta vs tors. theta energy: -60.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -590.252147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.252147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.252147 (E_RNA)
where:
Base-Base interactions energy: -399.517
where: short stacking energy: -174.973
Base-Backbone interact. energy: -0.137
local terms energy: -190.598602
where:
bonds (distance) C4'-P energy: -36.100
bonds (distance) P-C4' energy: -39.928
flat angles C4'-P-C4' energy: -44.322
flat angles P-C4'-P energy: -28.437
tors. eta vs tors. theta energy: -41.811
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: 8, replica: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -511.022170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.022170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.022170 (E_RNA)
where:
Base-Base interactions energy: -346.453
where: short stacking energy: -149.341
Base-Backbone interact. energy: -1.183
local terms energy: -163.385787
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -45.154
flat angles C4'-P-C4' energy: -42.365
flat angles P-C4'-P energy: -30.628
tors. eta vs tors. theta energy: -25.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -322.052925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.052925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.052925 (E_RNA)
where:
Base-Base interactions energy: -181.612
where: short stacking energy: -89.043
Base-Backbone interact. energy: 1.209
local terms energy: -141.649202
where:
bonds (distance) C4'-P energy: -46.633
bonds (distance) P-C4' energy: -43.197
flat angles C4'-P-C4' energy: -34.934
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -2.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -321.061363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.061363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.061363 (E_RNA)
where:
Base-Base interactions energy: -174.587
where: short stacking energy: -105.639
Base-Backbone interact. energy: -0.922
local terms energy: -145.552827
where:
bonds (distance) C4'-P energy: -20.917
bonds (distance) P-C4' energy: -42.858
flat angles C4'-P-C4' energy: -35.277
flat angles P-C4'-P energy: -26.363
tors. eta vs tors. theta energy: -20.138
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: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -850.115031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.115031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.115031 (E_RNA)
where:
Base-Base interactions energy: -579.372
where: short stacking energy: -269.930
Base-Backbone interact. energy: 0.278
local terms energy: -271.021725
where:
bonds (distance) C4'-P energy: -50.955
bonds (distance) P-C4' energy: -46.776
flat angles C4'-P-C4' energy: -56.094
flat angles P-C4'-P energy: -39.532
tors. eta vs tors. theta energy: -77.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -834.016845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.016845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.016845 (E_RNA)
where:
Base-Base interactions energy: -586.511
where: short stacking energy: -245.426
Base-Backbone interact. energy: -0.837
local terms energy: -246.669400
where:
bonds (distance) C4'-P energy: -45.262
bonds (distance) P-C4' energy: -36.128
flat angles C4'-P-C4' energy: -54.197
flat angles P-C4'-P energy: -39.097
tors. eta vs tors. theta energy: -71.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -776.749123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.749123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.749123 (E_RNA)
where:
Base-Base interactions energy: -534.276
where: short stacking energy: -216.545
Base-Backbone interact. energy: -1.201
local terms energy: -241.272099
where:
bonds (distance) C4'-P energy: -50.398
bonds (distance) P-C4' energy: -49.935
flat angles C4'-P-C4' energy: -46.586
flat angles P-C4'-P energy: -30.027
tors. eta vs tors. theta energy: -64.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -743.411535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.411535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.411535 (E_RNA)
where:
Base-Base interactions energy: -502.566
where: short stacking energy: -221.931
Base-Backbone interact. energy: 0.315
local terms energy: -241.160799
where:
bonds (distance) C4'-P energy: -40.815
bonds (distance) P-C4' energy: -43.910
flat angles C4'-P-C4' energy: -54.203
flat angles P-C4'-P energy: -34.683
tors. eta vs tors. theta energy: -67.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -725.195662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.195662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.195662 (E_RNA)
where:
Base-Base interactions energy: -498.339
where: short stacking energy: -213.401
Base-Backbone interact. energy: -1.596
local terms energy: -225.260633
where:
bonds (distance) C4'-P energy: -50.441
bonds (distance) P-C4' energy: -40.562
flat angles C4'-P-C4' energy: -46.484
flat angles P-C4'-P energy: -35.029
tors. eta vs tors. theta energy: -52.744
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: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -694.853832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.853832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.853832 (E_RNA)
where:
Base-Base interactions energy: -489.749
where: short stacking energy: -217.270
Base-Backbone interact. energy: -1.939
local terms energy: -203.165350
where:
bonds (distance) C4'-P energy: -46.610
bonds (distance) P-C4' energy: -39.623
flat angles C4'-P-C4' energy: -36.486
flat angles P-C4'-P energy: -23.828
tors. eta vs tors. theta energy: -56.617
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: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -609.085658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.085658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.085658 (E_RNA)
where:
Base-Base interactions energy: -411.753
where: short stacking energy: -179.132
Base-Backbone interact. energy: 0.175
local terms energy: -197.508384
where:
bonds (distance) C4'-P energy: -38.734
bonds (distance) P-C4' energy: -44.537
flat angles C4'-P-C4' energy: -48.891
flat angles P-C4'-P energy: -24.757
tors. eta vs tors. theta energy: -40.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -532.064671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.064671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.064671 (E_RNA)
where:
Base-Base interactions energy: -357.370
where: short stacking energy: -142.611
Base-Backbone interact. energy: -1.019
local terms energy: -173.676369
where:
bonds (distance) C4'-P energy: -34.621
bonds (distance) P-C4' energy: -42.321
flat angles C4'-P-C4' energy: -38.239
flat angles P-C4'-P energy: -27.426
tors. eta vs tors. theta energy: -31.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -290.878769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.878769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.878769 (E_RNA)
where:
Base-Base interactions energy: -144.289
where: short stacking energy: -73.941
Base-Backbone interact. energy: 2.123
local terms energy: -148.712159
where:
bonds (distance) C4'-P energy: -43.518
bonds (distance) P-C4' energy: -41.620
flat angles C4'-P-C4' energy: -41.827
flat angles P-C4'-P energy: -23.924
tors. eta vs tors. theta energy: 2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -314.189526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.189526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.189526 (E_RNA)
where:
Base-Base interactions energy: -170.614
where: short stacking energy: -102.934
Base-Backbone interact. energy: -1.818
local terms energy: -141.757846
where:
bonds (distance) C4'-P energy: -31.297
bonds (distance) P-C4' energy: -27.168
flat angles C4'-P-C4' energy: -38.034
flat angles P-C4'-P energy: -26.889
tors. eta vs tors. theta energy: -18.370
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: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -860.353151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.353151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.353151 (E_RNA)
where:
Base-Base interactions energy: -607.813
where: short stacking energy: -245.304
Base-Backbone interact. energy: -0.748
local terms energy: -251.791611
where:
bonds (distance) C4'-P energy: -46.965
bonds (distance) P-C4' energy: -46.992
flat angles C4'-P-C4' energy: -51.030
flat angles P-C4'-P energy: -40.115
tors. eta vs tors. theta energy: -66.689
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: 2, replica: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -825.637188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.637188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.637188 (E_RNA)
where:
Base-Base interactions energy: -564.297
where: short stacking energy: -246.394
Base-Backbone interact. energy: -0.669
local terms energy: -260.671573
where:
bonds (distance) C4'-P energy: -48.679
bonds (distance) P-C4' energy: -45.176
flat angles C4'-P-C4' energy: -51.664
flat angles P-C4'-P energy: -41.824
tors. eta vs tors. theta energy: -73.328
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: 3, replica: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -773.956136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.956136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.956136 (E_RNA)
where:
Base-Base interactions energy: -530.690
where: short stacking energy: -222.824
Base-Backbone interact. energy: -0.410
local terms energy: -242.856131
where:
bonds (distance) C4'-P energy: -48.067
bonds (distance) P-C4' energy: -46.911
flat angles C4'-P-C4' energy: -53.309
flat angles P-C4'-P energy: -31.567
tors. eta vs tors. theta energy: -63.001
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: 4, replica: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -754.126098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.126098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.126098 (E_RNA)
where:
Base-Base interactions energy: -512.431
where: short stacking energy: -233.552
Base-Backbone interact. energy: -1.778
local terms energy: -239.917021
where:
bonds (distance) C4'-P energy: -46.596
bonds (distance) P-C4' energy: -41.339
flat angles C4'-P-C4' energy: -51.781
flat angles P-C4'-P energy: -34.631
tors. eta vs tors. theta energy: -65.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -701.147858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.147858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.147858 (E_RNA)
where:
Base-Base interactions energy: -483.192
where: short stacking energy: -205.657
Base-Backbone interact. energy: -2.190
local terms energy: -215.765856
where:
bonds (distance) C4'-P energy: -42.078
bonds (distance) P-C4' energy: -44.161
flat angles C4'-P-C4' energy: -48.812
flat angles P-C4'-P energy: -26.888
tors. eta vs tors. theta energy: -53.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -682.764401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.764401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.764401 (E_RNA)
where:
Base-Base interactions energy: -482.836
where: short stacking energy: -205.748
Base-Backbone interact. energy: -1.283
local terms energy: -198.645109
where:
bonds (distance) C4'-P energy: -32.015
bonds (distance) P-C4' energy: -37.624
flat angles C4'-P-C4' energy: -49.302
flat angles P-C4'-P energy: -28.405
tors. eta vs tors. theta energy: -51.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -617.689083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.689083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.689083 (E_RNA)
where:
Base-Base interactions energy: -411.057
where: short stacking energy: -162.092
Base-Backbone interact. energy: -2.142
local terms energy: -204.490850
where:
bonds (distance) C4'-P energy: -46.443
bonds (distance) P-C4' energy: -45.779
flat angles C4'-P-C4' energy: -45.050
flat angles P-C4'-P energy: -32.447
tors. eta vs tors. theta energy: -34.772
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: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -536.895721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.895721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.895721 (E_RNA)
where:
Base-Base interactions energy: -348.428
where: short stacking energy: -160.203
Base-Backbone interact. energy: -0.939
local terms energy: -187.529322
where:
bonds (distance) C4'-P energy: -33.241
bonds (distance) P-C4' energy: -37.109
flat angles C4'-P-C4' energy: -46.467
flat angles P-C4'-P energy: -32.442
tors. eta vs tors. theta energy: -38.270
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: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -368.846903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.846903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.846903 (E_RNA)
where:
Base-Base interactions energy: -237.457
where: short stacking energy: -104.642
Base-Backbone interact. energy: -0.572
local terms energy: -130.818193
where:
bonds (distance) C4'-P energy: -29.291
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -38.342
flat angles P-C4'-P energy: -20.771
tors. eta vs tors. theta energy: -14.657
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: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -272.459853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.459853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.459853 (E_RNA)
where:
Base-Base interactions energy: -147.180
where: short stacking energy: -89.901
Base-Backbone interact. energy: -0.808
local terms energy: -124.471919
where:
bonds (distance) C4'-P energy: -36.948
bonds (distance) P-C4' energy: -35.747
flat angles C4'-P-C4' energy: -27.907
flat angles P-C4'-P energy: -21.193
tors. eta vs tors. theta energy: -2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -856.768631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.768631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.768631 (E_RNA)
where:
Base-Base interactions energy: -599.278
where: short stacking energy: -247.652
Base-Backbone interact. energy: 0.369
local terms energy: -257.859751
where:
bonds (distance) C4'-P energy: -53.817
bonds (distance) P-C4' energy: -42.364
flat angles C4'-P-C4' energy: -50.356
flat angles P-C4'-P energy: -41.999
tors. eta vs tors. theta energy: -69.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -836.026578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.026578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.026578 (E_RNA)
where:
Base-Base interactions energy: -587.733
where: short stacking energy: -252.524
Base-Backbone interact. energy: -0.608
local terms energy: -247.686182
where:
bonds (distance) C4'-P energy: -43.122
bonds (distance) P-C4' energy: -38.726
flat angles C4'-P-C4' energy: -51.025
flat angles P-C4'-P energy: -38.687
tors. eta vs tors. theta energy: -76.126
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: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -774.539658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.539658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.539658 (E_RNA)
where:
Base-Base interactions energy: -543.427
where: short stacking energy: -229.518
Base-Backbone interact. energy: -1.426
local terms energy: -229.686023
where:
bonds (distance) C4'-P energy: -46.855
bonds (distance) P-C4' energy: -34.036
flat angles C4'-P-C4' energy: -48.957
flat angles P-C4'-P energy: -36.675
tors. eta vs tors. theta energy: -63.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -725.270363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.270363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.270363 (E_RNA)
where:
Base-Base interactions energy: -490.668
where: short stacking energy: -214.219
Base-Backbone interact. energy: -1.923
local terms energy: -232.678915
where:
bonds (distance) C4'-P energy: -45.398
bonds (distance) P-C4' energy: -40.318
flat angles C4'-P-C4' energy: -48.161
flat angles P-C4'-P energy: -39.288
tors. eta vs tors. theta energy: -59.515
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: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -702.179878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.179878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.179878 (E_RNA)
where:
Base-Base interactions energy: -489.547
where: short stacking energy: -192.539
Base-Backbone interact. energy: -0.616
local terms energy: -212.016276
where:
bonds (distance) C4'-P energy: -35.930
bonds (distance) P-C4' energy: -44.072
flat angles C4'-P-C4' energy: -51.270
flat angles P-C4'-P energy: -37.092
tors. eta vs tors. theta energy: -43.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -686.975834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.975834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.975834 (E_RNA)
where:
Base-Base interactions energy: -488.603
where: short stacking energy: -200.120
Base-Backbone interact. energy: -1.273
local terms energy: -197.099946
where:
bonds (distance) C4'-P energy: -33.757
bonds (distance) P-C4' energy: -46.224
flat angles C4'-P-C4' energy: -39.666
flat angles P-C4'-P energy: -23.244
tors. eta vs tors. theta energy: -54.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -625.371932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.371932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.371932 (E_RNA)
where:
Base-Base interactions energy: -406.366
where: short stacking energy: -180.020
Base-Backbone interact. energy: -1.384
local terms energy: -217.622219
where:
bonds (distance) C4'-P energy: -48.515
bonds (distance) P-C4' energy: -49.683
flat angles C4'-P-C4' energy: -43.106
flat angles P-C4'-P energy: -32.068
tors. eta vs tors. theta energy: -44.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -523.375278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.375278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.375278 (E_RNA)
where:
Base-Base interactions energy: -343.113
where: short stacking energy: -153.241
Base-Backbone interact. energy: -0.525
local terms energy: -179.737763
where:
bonds (distance) C4'-P energy: -34.868
bonds (distance) P-C4' energy: -47.974
flat angles C4'-P-C4' energy: -31.269
flat angles P-C4'-P energy: -32.084
tors. eta vs tors. theta energy: -33.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -379.437379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.437379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.437379 (E_RNA)
where:
Base-Base interactions energy: -221.271
where: short stacking energy: -117.843
Base-Backbone interact. energy: -0.255
local terms energy: -157.910887
where:
bonds (distance) C4'-P energy: -44.868
bonds (distance) P-C4' energy: -46.789
flat angles C4'-P-C4' energy: -26.522
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -23.884
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: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -303.526517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.526517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.526517 (E_RNA)
where:
Base-Base interactions energy: -152.059
where: short stacking energy: -69.494
Base-Backbone interact. energy: -2.463
local terms energy: -149.004439
where:
bonds (distance) C4'-P energy: -43.856
bonds (distance) P-C4' energy: -42.854
flat angles C4'-P-C4' energy: -38.892
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -7.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -850.956417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.956417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.956417 (E_RNA)
where:
Base-Base interactions energy: -591.992
where: short stacking energy: -238.216
Base-Backbone interact. energy: -1.335
local terms energy: -257.629717
where:
bonds (distance) C4'-P energy: -44.748
bonds (distance) P-C4' energy: -43.897
flat angles C4'-P-C4' energy: -53.227
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -73.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -836.285214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.285214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.285214 (E_RNA)
where:
Base-Base interactions energy: -582.346
where: short stacking energy: -262.125
Base-Backbone interact. energy: -0.305
local terms energy: -253.634158
where:
bonds (distance) C4'-P energy: -47.045
bonds (distance) P-C4' energy: -47.641
flat angles C4'-P-C4' energy: -51.953
flat angles P-C4'-P energy: -29.582
tors. eta vs tors. theta energy: -77.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -778.214742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.214742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.214742 (E_RNA)
where:
Base-Base interactions energy: -541.430
where: short stacking energy: -220.703
Base-Backbone interact. energy: -1.814
local terms energy: -234.971402
where:
bonds (distance) C4'-P energy: -45.345
bonds (distance) P-C4' energy: -46.457
flat angles C4'-P-C4' energy: -48.899
flat angles P-C4'-P energy: -30.225
tors. eta vs tors. theta energy: -64.046
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: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -744.912581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.912581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.912581 (E_RNA)
where:
Base-Base interactions energy: -517.217
where: short stacking energy: -229.995
Base-Backbone interact. energy: 0.399
local terms energy: -228.094581
where:
bonds (distance) C4'-P energy: -36.181
bonds (distance) P-C4' energy: -41.255
flat angles C4'-P-C4' energy: -49.690
flat angles P-C4'-P energy: -32.275
tors. eta vs tors. theta energy: -68.693
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: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -703.053111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.053111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.053111 (E_RNA)
where:
Base-Base interactions energy: -485.128
where: short stacking energy: -205.418
Base-Backbone interact. energy: -0.250
local terms energy: -217.675239
where:
bonds (distance) C4'-P energy: -41.723
bonds (distance) P-C4' energy: -37.890
flat angles C4'-P-C4' energy: -51.738
flat angles P-C4'-P energy: -35.958
tors. eta vs tors. theta energy: -50.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -643.592791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.592791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.592791 (E_RNA)
where:
Base-Base interactions energy: -434.760
where: short stacking energy: -187.764
Base-Backbone interact. energy: 1.802
local terms energy: -210.635459
where:
bonds (distance) C4'-P energy: -47.446
bonds (distance) P-C4' energy: -39.870
flat angles C4'-P-C4' energy: -44.013
flat angles P-C4'-P energy: -32.810
tors. eta vs tors. theta energy: -46.497
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: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -613.309679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.309679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.309679 (E_RNA)
where:
Base-Base interactions energy: -430.215
where: short stacking energy: -194.609
Base-Backbone interact. energy: -2.078
local terms energy: -181.016767
where:
bonds (distance) C4'-P energy: -35.122
bonds (distance) P-C4' energy: -32.891
flat angles C4'-P-C4' energy: -44.711
flat angles P-C4'-P energy: -25.344
tors. eta vs tors. theta energy: -42.948
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: 352
Temperature: 1.250000
Total energy: -473.990255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.990255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.990255 (E_RNA)
where:
Base-Base interactions energy: -296.246
where: short stacking energy: -131.813
Base-Backbone interact. energy: -1.172
local terms energy: -176.572090
where:
bonds (distance) C4'-P energy: -41.978
bonds (distance) P-C4' energy: -39.317
flat angles C4'-P-C4' energy: -35.368
flat angles P-C4'-P energy: -33.068
tors. eta vs tors. theta energy: -26.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -306.744289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.744289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.744289 (E_RNA)
where:
Base-Base interactions energy: -154.133
where: short stacking energy: -88.904
Base-Backbone interact. energy: -0.905
local terms energy: -151.706571
where:
bonds (distance) C4'-P energy: -44.063
bonds (distance) P-C4' energy: -36.252
flat angles C4'-P-C4' energy: -37.240
flat angles P-C4'-P energy: -27.092
tors. eta vs tors. theta energy: -7.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -286.229322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.229322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.229322 (E_RNA)
where:
Base-Base interactions energy: -123.597
where: short stacking energy: -55.502
Base-Backbone interact. energy: -0.535
local terms energy: -162.098033
where:
bonds (distance) C4'-P energy: -43.809
bonds (distance) P-C4' energy: -49.065
flat angles C4'-P-C4' energy: -37.968
flat angles P-C4'-P energy: -26.962
tors. eta vs tors. theta energy: -4.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -851.041981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.041981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.041981 (E_RNA)
where:
Base-Base interactions energy: -597.575
where: short stacking energy: -245.830
Base-Backbone interact. energy: 0.645
local terms energy: -254.112007
where:
bonds (distance) C4'-P energy: -44.813
bonds (distance) P-C4' energy: -48.082
flat angles C4'-P-C4' energy: -51.170
flat angles P-C4'-P energy: -39.121
tors. eta vs tors. theta energy: -70.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -841.059547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.059547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.059547 (E_RNA)
where:
Base-Base interactions energy: -586.687
where: short stacking energy: -256.973
Base-Backbone interact. energy: 0.201
local terms energy: -254.573916
where:
bonds (distance) C4'-P energy: -47.538
bonds (distance) P-C4' energy: -47.734
flat angles C4'-P-C4' energy: -47.001
flat angles P-C4'-P energy: -30.511
tors. eta vs tors. theta energy: -81.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -783.134829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.134829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.134829 (E_RNA)
where:
Base-Base interactions energy: -543.633
where: short stacking energy: -230.117
Base-Backbone interact. energy: 0.059
local terms energy: -239.560891
where:
bonds (distance) C4'-P energy: -48.990
bonds (distance) P-C4' energy: -34.066
flat angles C4'-P-C4' energy: -56.781
flat angles P-C4'-P energy: -37.527
tors. eta vs tors. theta energy: -62.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -738.530366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.530366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.530366 (E_RNA)
where:
Base-Base interactions energy: -508.708
where: short stacking energy: -214.157
Base-Backbone interact. energy: -0.065
local terms energy: -229.757105
where:
bonds (distance) C4'-P energy: -41.358
bonds (distance) P-C4' energy: -45.827
flat angles C4'-P-C4' energy: -50.305
flat angles P-C4'-P energy: -30.922
tors. eta vs tors. theta energy: -61.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -714.977076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.977076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.977076 (E_RNA)
where:
Base-Base interactions energy: -486.699
where: short stacking energy: -219.253
Base-Backbone interact. energy: -0.301
local terms energy: -227.976932
where:
bonds (distance) C4'-P energy: -39.374
bonds (distance) P-C4' energy: -41.051
flat angles C4'-P-C4' energy: -51.486
flat angles P-C4'-P energy: -32.807
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: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -607.841717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.841717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.841717 (E_RNA)
where:
Base-Base interactions energy: -392.920
where: short stacking energy: -172.649
Base-Backbone interact. energy: -0.700
local terms energy: -214.221343
where:
bonds (distance) C4'-P energy: -37.270
bonds (distance) P-C4' energy: -40.487
flat angles C4'-P-C4' energy: -53.484
flat angles P-C4'-P energy: -33.590
tors. eta vs tors. theta energy: -49.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -674.302133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.302133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.302133 (E_RNA)
where:
Base-Base interactions energy: -474.318
where: short stacking energy: -193.394
Base-Backbone interact. energy: -0.406
local terms energy: -199.578412
where:
bonds (distance) C4'-P energy: -31.768
bonds (distance) P-C4' energy: -40.452
flat angles C4'-P-C4' energy: -42.763
flat angles P-C4'-P energy: -31.603
tors. eta vs tors. theta energy: -52.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -446.579187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.579187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.579187 (E_RNA)
where:
Base-Base interactions energy: -281.889
where: short stacking energy: -130.806
Base-Backbone interact. energy: -1.651
local terms energy: -163.038862
where:
bonds (distance) C4'-P energy: -44.261
bonds (distance) P-C4' energy: -33.077
flat angles C4'-P-C4' energy: -40.367
flat angles P-C4'-P energy: -25.729
tors. eta vs tors. theta energy: -19.606
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: 10
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -313.295169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.295169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.295169 (E_RNA)
where:
Base-Base interactions energy: -168.129
where: short stacking energy: -108.162
Base-Backbone interact. energy: 0.241
local terms energy: -145.406869
where:
bonds (distance) C4'-P energy: -28.849
bonds (distance) P-C4' energy: -38.834
flat angles C4'-P-C4' energy: -32.822
flat angles P-C4'-P energy: -21.886
tors. eta vs tors. theta energy: -23.016
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: 353
Temperature: 1.350000
Total energy: -305.406130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.406130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.406130 (E_RNA)
where:
Base-Base interactions energy: -163.737
where: short stacking energy: -87.442
Base-Backbone interact. energy: -0.377
local terms energy: -141.291515
where:
bonds (distance) C4'-P energy: -41.562
bonds (distance) P-C4' energy: -36.038
flat angles C4'-P-C4' energy: -36.281
flat angles P-C4'-P energy: -19.179
tors. eta vs tors. theta energy: -8.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -854.578734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.578734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.578734 (E_RNA)
where:
Base-Base interactions energy: -610.984
where: short stacking energy: -244.143
Base-Backbone interact. energy: -0.924
local terms energy: -242.671306
where:
bonds (distance) C4'-P energy: -47.668
bonds (distance) P-C4' energy: -44.186
flat angles C4'-P-C4' energy: -50.813
flat angles P-C4'-P energy: -32.290
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: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -826.126594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.126594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.126594 (E_RNA)
where:
Base-Base interactions energy: -576.424
where: short stacking energy: -246.419
Base-Backbone interact. energy: -1.156
local terms energy: -248.546837
where:
bonds (distance) C4'-P energy: -47.656
bonds (distance) P-C4' energy: -45.909
flat angles C4'-P-C4' energy: -51.176
flat angles P-C4'-P energy: -30.389
tors. eta vs tors. theta energy: -73.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -779.995305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.995305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.995305 (E_RNA)
where:
Base-Base interactions energy: -537.734
where: short stacking energy: -215.008
Base-Backbone interact. energy: -1.677
local terms energy: -240.583556
where:
bonds (distance) C4'-P energy: -46.339
bonds (distance) P-C4' energy: -45.791
flat angles C4'-P-C4' energy: -48.182
flat angles P-C4'-P energy: -31.068
tors. eta vs tors. theta energy: -69.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -741.935850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.935850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.935850 (E_RNA)
where:
Base-Base interactions energy: -520.019
where: short stacking energy: -222.557
Base-Backbone interact. energy: -0.480
local terms energy: -221.436971
where:
bonds (distance) C4'-P energy: -38.091
bonds (distance) P-C4' energy: -44.466
flat angles C4'-P-C4' energy: -47.192
flat angles P-C4'-P energy: -30.958
tors. eta vs tors. theta energy: -60.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -719.560615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.560615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.560615 (E_RNA)
where:
Base-Base interactions energy: -508.457
where: short stacking energy: -217.221
Base-Backbone interact. energy: -1.048
local terms energy: -210.055305
where:
bonds (distance) C4'-P energy: -40.534
bonds (distance) P-C4' energy: -37.251
flat angles C4'-P-C4' energy: -43.273
flat angles P-C4'-P energy: -29.073
tors. eta vs tors. theta energy: -59.924
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: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -609.538479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.538479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.538479 (E_RNA)
where:
Base-Base interactions energy: -403.098
where: short stacking energy: -176.653
Base-Backbone interact. energy: -0.681
local terms energy: -205.759314
where:
bonds (distance) C4'-P energy: -46.112
bonds (distance) P-C4' energy: -49.202
flat angles C4'-P-C4' energy: -38.659
flat angles P-C4'-P energy: -30.542
tors. eta vs tors. theta energy: -41.246
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: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -684.835531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.835531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.835531 (E_RNA)
where:
Base-Base interactions energy: -489.466
where: short stacking energy: -197.062
Base-Backbone interact. energy: 0.623
local terms energy: -195.992863
where:
bonds (distance) C4'-P energy: -41.309
bonds (distance) P-C4' energy: -30.603
flat angles C4'-P-C4' energy: -41.563
flat angles P-C4'-P energy: -27.731
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: 8, replica: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -443.903173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.903173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.903173 (E_RNA)
where:
Base-Base interactions energy: -303.794
where: short stacking energy: -143.966
Base-Backbone interact. energy: -0.521
local terms energy: -139.587597
where:
bonds (distance) C4'-P energy: -34.286
bonds (distance) P-C4' energy: -32.117
flat angles C4'-P-C4' energy: -40.427
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -22.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -330.204353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.204353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.204353 (E_RNA)
where:
Base-Base interactions energy: -178.837
where: short stacking energy: -105.040
Base-Backbone interact. energy: -0.701
local terms energy: -150.666194
where:
bonds (distance) C4'-P energy: -39.790
bonds (distance) P-C4' energy: -35.624
flat angles C4'-P-C4' energy: -33.031
flat angles P-C4'-P energy: -23.229
tors. eta vs tors. theta energy: -18.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -319.951344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.951344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.951344 (E_RNA)
where:
Base-Base interactions energy: -173.934
where: short stacking energy: -92.168
Base-Backbone interact. energy: -0.640
local terms energy: -145.377008
where:
bonds (distance) C4'-P energy: -34.939
bonds (distance) P-C4' energy: -40.200
flat angles C4'-P-C4' energy: -40.807
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -13.516
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: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -855.556884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.556884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.556884 (E_RNA)
where:
Base-Base interactions energy: -615.480
where: short stacking energy: -243.177
Base-Backbone interact. energy: -1.055
local terms energy: -239.021780
where:
bonds (distance) C4'-P energy: -48.378
bonds (distance) P-C4' energy: -43.987
flat angles C4'-P-C4' energy: -52.642
flat angles P-C4'-P energy: -28.429
tors. eta vs tors. theta energy: -65.586
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: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -831.413850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.413850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.413850 (E_RNA)
where:
Base-Base interactions energy: -568.401
where: short stacking energy: -262.154
Base-Backbone interact. energy: -0.126
local terms energy: -262.886400
where:
bonds (distance) C4'-P energy: -42.599
bonds (distance) P-C4' energy: -46.850
flat angles C4'-P-C4' energy: -57.038
flat angles P-C4'-P energy: -38.883
tors. eta vs tors. theta energy: -77.516
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: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -778.197077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.197077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.197077 (E_RNA)
where:
Base-Base interactions energy: -544.035
where: short stacking energy: -237.255
Base-Backbone interact. energy: 1.569
local terms energy: -235.731481
where:
bonds (distance) C4'-P energy: -39.659
bonds (distance) P-C4' energy: -50.712
flat angles C4'-P-C4' energy: -49.086
flat angles P-C4'-P energy: -31.947
tors. eta vs tors. theta energy: -64.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -737.479289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.479289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.479289 (E_RNA)
where:
Base-Base interactions energy: -501.546
where: short stacking energy: -217.062
Base-Backbone interact. energy: 0.139
local terms energy: -236.072235
where:
bonds (distance) C4'-P energy: -43.724
bonds (distance) P-C4' energy: -53.246
flat angles C4'-P-C4' energy: -45.058
flat angles P-C4'-P energy: -30.227
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: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -711.337675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.337675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.337675 (E_RNA)
where:
Base-Base interactions energy: -495.662
where: short stacking energy: -215.569
Base-Backbone interact. energy: -2.605
local terms energy: -213.070742
where:
bonds (distance) C4'-P energy: -42.155
bonds (distance) P-C4' energy: -41.178
flat angles C4'-P-C4' energy: -44.657
flat angles P-C4'-P energy: -28.463
tors. eta vs tors. theta energy: -56.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -691.882800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.882800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.882800 (E_RNA)
where:
Base-Base interactions energy: -482.923
where: short stacking energy: -205.120
Base-Backbone interact. energy: -1.775
local terms energy: -207.185650
where:
bonds (distance) C4'-P energy: -33.993
bonds (distance) P-C4' energy: -40.348
flat angles C4'-P-C4' energy: -43.206
flat angles P-C4'-P energy: -31.109
tors. eta vs tors. theta energy: -58.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -612.980992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.980992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.980992 (E_RNA)
where:
Base-Base interactions energy: -410.728
where: short stacking energy: -174.396
Base-Backbone interact. energy: -2.285
local terms energy: -199.967713
where:
bonds (distance) C4'-P energy: -39.529
bonds (distance) P-C4' energy: -47.112
flat angles C4'-P-C4' energy: -38.795
flat angles P-C4'-P energy: -26.689
tors. eta vs tors. theta energy: -47.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -453.398619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.398619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.398619 (E_RNA)
where:
Base-Base interactions energy: -294.319
where: short stacking energy: -145.596
Base-Backbone interact. energy: 2.790
local terms energy: -161.869415
where:
bonds (distance) C4'-P energy: -39.307
bonds (distance) P-C4' energy: -37.627
flat angles C4'-P-C4' energy: -33.542
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: -28.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -325.229678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.229678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.229678 (E_RNA)
where:
Base-Base interactions energy: -161.902
where: short stacking energy: -87.239
Base-Backbone interact. energy: -0.255
local terms energy: -163.072292
where:
bonds (distance) C4'-P energy: -33.962
bonds (distance) P-C4' energy: -48.350
flat angles C4'-P-C4' energy: -36.951
flat angles P-C4'-P energy: -25.524
tors. eta vs tors. theta energy: -18.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -307.820501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.820501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.820501 (E_RNA)
where:
Base-Base interactions energy: -165.208
where: short stacking energy: -91.239
Base-Backbone interact. energy: 0.013
local terms energy: -142.626303
where:
bonds (distance) C4'-P energy: -40.670
bonds (distance) P-C4' energy: -45.967
flat angles C4'-P-C4' energy: -30.589
flat angles P-C4'-P energy: -21.931
tors. eta vs tors. theta energy: -3.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -836.562000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.562000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.562000 (E_RNA)
where:
Base-Base interactions energy: -594.407
where: short stacking energy: -262.984
Base-Backbone interact. energy: -0.131
local terms energy: -242.023756
where:
bonds (distance) C4'-P energy: -45.505
bonds (distance) P-C4' energy: -41.167
flat angles C4'-P-C4' energy: -52.828
flat angles P-C4'-P energy: -28.541
tors. eta vs tors. theta energy: -73.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -846.027784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.027784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.027784 (E_RNA)
where:
Base-Base interactions energy: -593.926
where: short stacking energy: -254.393
Base-Backbone interact. energy: -1.469
local terms energy: -250.632548
where:
bonds (distance) C4'-P energy: -46.006
bonds (distance) P-C4' energy: -40.208
flat angles C4'-P-C4' energy: -57.335
flat angles P-C4'-P energy: -33.758
tors. eta vs tors. theta energy: -73.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -781.472104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.472104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.472104 (E_RNA)
where:
Base-Base interactions energy: -541.373
where: short stacking energy: -221.459
Base-Backbone interact. energy: -0.503
local terms energy: -239.596728
where:
bonds (distance) C4'-P energy: -43.807
bonds (distance) P-C4' energy: -46.141
flat angles C4'-P-C4' energy: -46.584
flat angles P-C4'-P energy: -34.680
tors. eta vs tors. theta energy: -68.384
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: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -729.694022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.694022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.694022 (E_RNA)
where:
Base-Base interactions energy: -489.385
where: short stacking energy: -210.949
Base-Backbone interact. energy: 0.597
local terms energy: -240.906860
where:
bonds (distance) C4'-P energy: -47.098
bonds (distance) P-C4' energy: -52.013
flat angles C4'-P-C4' energy: -49.081
flat angles P-C4'-P energy: -36.519
tors. eta vs tors. theta energy: -56.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -720.983870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.983870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.983870 (E_RNA)
where:
Base-Base interactions energy: -485.411
where: short stacking energy: -200.611
Base-Backbone interact. energy: -2.212
local terms energy: -233.360750
where:
bonds (distance) C4'-P energy: -48.050
bonds (distance) P-C4' energy: -48.903
flat angles C4'-P-C4' energy: -50.579
flat angles P-C4'-P energy: -40.016
tors. eta vs tors. theta energy: -45.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -668.426343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.426343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.426343 (E_RNA)
where:
Base-Base interactions energy: -452.723
where: short stacking energy: -194.065
Base-Backbone interact. energy: -1.136
local terms energy: -214.567453
where:
bonds (distance) C4'-P energy: -43.879
bonds (distance) P-C4' energy: -42.556
flat angles C4'-P-C4' energy: -43.384
flat angles P-C4'-P energy: -27.591
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: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -627.582677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.582677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.582677 (E_RNA)
where:
Base-Base interactions energy: -436.579
where: short stacking energy: -199.427
Base-Backbone interact. energy: 1.695
local terms energy: -192.698666
where:
bonds (distance) C4'-P energy: -36.184
bonds (distance) P-C4' energy: -41.657
flat angles C4'-P-C4' energy: -42.186
flat angles P-C4'-P energy: -28.448
tors. eta vs tors. theta energy: -44.223
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: 356
Temperature: 1.250000
Total energy: -462.995433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.995433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.995433 (E_RNA)
where:
Base-Base interactions energy: -292.207
where: short stacking energy: -130.376
Base-Backbone interact. energy: -0.798
local terms energy: -169.990112
where:
bonds (distance) C4'-P energy: -37.129
bonds (distance) P-C4' energy: -44.679
flat angles C4'-P-C4' energy: -44.849
flat angles P-C4'-P energy: -20.734
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -356.113456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.113456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.113456 (E_RNA)
where:
Base-Base interactions energy: -213.815
where: short stacking energy: -113.020
Base-Backbone interact. energy: -1.461
local terms energy: -140.838163
where:
bonds (distance) C4'-P energy: -25.794
bonds (distance) P-C4' energy: -41.025
flat angles C4'-P-C4' energy: -36.594
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -17.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -306.165668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.165668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.165668 (E_RNA)
where:
Base-Base interactions energy: -143.432
where: short stacking energy: -85.908
Base-Backbone interact. energy: -0.736
local terms energy: -161.997944
where:
bonds (distance) C4'-P energy: -41.478
bonds (distance) P-C4' energy: -35.476
flat angles C4'-P-C4' energy: -31.658
flat angles P-C4'-P energy: -31.512
tors. eta vs tors. theta energy: -21.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -838.569600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.569600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.569600 (E_RNA)
where:
Base-Base interactions energy: -572.633
where: short stacking energy: -255.116
Base-Backbone interact. energy: -1.699
local terms energy: -264.237780
where:
bonds (distance) C4'-P energy: -45.675
bonds (distance) P-C4' energy: -46.493
flat angles C4'-P-C4' energy: -55.850
flat angles P-C4'-P energy: -41.354
tors. eta vs tors. theta energy: -74.866
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: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -838.106102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.106102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.106102 (E_RNA)
where:
Base-Base interactions energy: -590.789
where: short stacking energy: -225.835
Base-Backbone interact. energy: -1.564
local terms energy: -245.752512
where:
bonds (distance) C4'-P energy: -44.028
bonds (distance) P-C4' energy: -49.999
flat angles C4'-P-C4' energy: -46.999
flat angles P-C4'-P energy: -32.139
tors. eta vs tors. theta energy: -72.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -782.471032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.471032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.471032 (E_RNA)
where:
Base-Base interactions energy: -545.979
where: short stacking energy: -223.786
Base-Backbone interact. energy: -0.389
local terms energy: -236.102863
where:
bonds (distance) C4'-P energy: -43.882
bonds (distance) P-C4' energy: -41.382
flat angles C4'-P-C4' energy: -48.615
flat angles P-C4'-P energy: -36.605
tors. eta vs tors. theta energy: -65.619
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: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -754.881727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.881727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.881727 (E_RNA)
where:
Base-Base interactions energy: -528.082
where: short stacking energy: -222.717
Base-Backbone interact. energy: 3.170
local terms energy: -229.969581
where:
bonds (distance) C4'-P energy: -46.362
bonds (distance) P-C4' energy: -44.866
flat angles C4'-P-C4' energy: -48.560
flat angles P-C4'-P energy: -31.879
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: 5, replica: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -713.597103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.597103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.597103 (E_RNA)
where:
Base-Base interactions energy: -496.514
where: short stacking energy: -199.637
Base-Backbone interact. energy: -0.718
local terms energy: -216.365243
where:
bonds (distance) C4'-P energy: -41.936
bonds (distance) P-C4' energy: -48.649
flat angles C4'-P-C4' energy: -41.194
flat angles P-C4'-P energy: -32.319
tors. eta vs tors. theta energy: -52.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -691.039555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.039555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.039555 (E_RNA)
where:
Base-Base interactions energy: -468.064
where: short stacking energy: -208.695
Base-Backbone interact. energy: -0.781
local terms energy: -222.194746
where:
bonds (distance) C4'-P energy: -34.774
bonds (distance) P-C4' energy: -38.489
flat angles C4'-P-C4' energy: -50.648
flat angles P-C4'-P energy: -36.459
tors. eta vs tors. theta energy: -61.826
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: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -599.205030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.205030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.205030 (E_RNA)
where:
Base-Base interactions energy: -405.045
where: short stacking energy: -180.656
Base-Backbone interact. energy: 1.602
local terms energy: -195.762784
where:
bonds (distance) C4'-P energy: -31.350
bonds (distance) P-C4' energy: -49.295
flat angles C4'-P-C4' energy: -36.625
flat angles P-C4'-P energy: -34.038
tors. eta vs tors. theta energy: -44.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -465.618246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.618246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.618246 (E_RNA)
where:
Base-Base interactions energy: -293.729
where: short stacking energy: -151.161
Base-Backbone interact. energy: -0.609
local terms energy: -171.280643
where:
bonds (distance) C4'-P energy: -31.407
bonds (distance) P-C4' energy: -43.364
flat angles C4'-P-C4' energy: -41.585
flat angles P-C4'-P energy: -28.933
tors. eta vs tors. theta energy: -25.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -340.130793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.130793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.130793 (E_RNA)
where:
Base-Base interactions energy: -190.090
where: short stacking energy: -100.751
Base-Backbone interact. energy: -0.476
local terms energy: -149.564917
where:
bonds (distance) C4'-P energy: -33.104
bonds (distance) P-C4' energy: -42.050
flat angles C4'-P-C4' energy: -36.101
flat angles P-C4'-P energy: -26.379
tors. eta vs tors. theta energy: -11.931
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: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -350.054801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.054801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.054801 (E_RNA)
where:
Base-Base interactions energy: -182.192
where: short stacking energy: -104.890
Base-Backbone interact. energy: -0.026
local terms energy: -167.837473
where:
bonds (distance) C4'-P energy: -36.783
bonds (distance) P-C4' energy: -39.233
flat angles C4'-P-C4' energy: -49.027
flat angles P-C4'-P energy: -19.884
tors. eta vs tors. theta energy: -22.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -842.861458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.861458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.861458 (E_RNA)
where:
Base-Base interactions energy: -584.274
where: short stacking energy: -258.179
Base-Backbone interact. energy: 0.941
local terms energy: -259.528447
where:
bonds (distance) C4'-P energy: -55.215
bonds (distance) P-C4' energy: -44.033
flat angles C4'-P-C4' energy: -49.165
flat angles P-C4'-P energy: -35.960
tors. eta vs tors. theta energy: -75.155
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: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -838.164999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.164999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.164999 (E_RNA)
where:
Base-Base interactions energy: -597.704
where: short stacking energy: -245.996
Base-Backbone interact. energy: -1.868
local terms energy: -238.593495
where:
bonds (distance) C4'-P energy: -47.485
bonds (distance) P-C4' energy: -38.450
flat angles C4'-P-C4' energy: -53.758
flat angles P-C4'-P energy: -31.649
tors. eta vs tors. theta energy: -67.251
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: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -775.911176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.911176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.911176 (E_RNA)
where:
Base-Base interactions energy: -538.725
where: short stacking energy: -235.581
Base-Backbone interact. energy: -1.322
local terms energy: -235.864824
where:
bonds (distance) C4'-P energy: -41.134
bonds (distance) P-C4' energy: -43.014
flat angles C4'-P-C4' energy: -52.624
flat angles P-C4'-P energy: -27.980
tors. eta vs tors. theta energy: -71.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -766.199244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.199244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.199244 (E_RNA)
where:
Base-Base interactions energy: -527.008
where: short stacking energy: -236.020
Base-Backbone interact. energy: -0.244
local terms energy: -238.947186
where:
bonds (distance) C4'-P energy: -38.258
bonds (distance) P-C4' energy: -47.634
flat angles C4'-P-C4' energy: -57.208
flat angles P-C4'-P energy: -30.884
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: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -712.603258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.603258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.603258 (E_RNA)
where:
Base-Base interactions energy: -491.997
where: short stacking energy: -229.549
Base-Backbone interact. energy: 0.878
local terms energy: -221.484217
where:
bonds (distance) C4'-P energy: -38.307
bonds (distance) P-C4' energy: -38.874
flat angles C4'-P-C4' energy: -51.252
flat angles P-C4'-P energy: -30.906
tors. eta vs tors. theta energy: -62.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -708.871555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.871555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.871555 (E_RNA)
where:
Base-Base interactions energy: -485.622
where: short stacking energy: -200.855
Base-Backbone interact. energy: 0.842
local terms energy: -224.091493
where:
bonds (distance) C4'-P energy: -52.040
bonds (distance) P-C4' energy: -46.204
flat angles C4'-P-C4' energy: -40.606
flat angles P-C4'-P energy: -32.668
tors. eta vs tors. theta energy: -52.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -580.731524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.731524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.731524 (E_RNA)
where:
Base-Base interactions energy: -395.159
where: short stacking energy: -164.384
Base-Backbone interact. energy: -1.044
local terms energy: -184.528323
where:
bonds (distance) C4'-P energy: -44.429
bonds (distance) P-C4' energy: -33.944
flat angles C4'-P-C4' energy: -39.691
flat angles P-C4'-P energy: -26.753
tors. eta vs tors. theta energy: -39.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -477.748308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.748308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.748308 (E_RNA)
where:
Base-Base interactions energy: -313.038
where: short stacking energy: -154.057
Base-Backbone interact. energy: -0.151
local terms energy: -164.559307
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -41.915
flat angles C4'-P-C4' energy: -35.753
flat angles P-C4'-P energy: -31.836
tors. eta vs tors. theta energy: -34.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -342.137259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.137259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.137259 (E_RNA)
where:
Base-Base interactions energy: -183.849
where: short stacking energy: -106.272
Base-Backbone interact. energy: -1.285
local terms energy: -157.002459
where:
bonds (distance) C4'-P energy: -33.748
bonds (distance) P-C4' energy: -41.911
flat angles C4'-P-C4' energy: -37.690
flat angles P-C4'-P energy: -19.990
tors. eta vs tors. theta energy: -23.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -324.474608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.474608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.474608 (E_RNA)
where:
Base-Base interactions energy: -188.743
where: short stacking energy: -99.369
Base-Backbone interact. energy: -0.972
local terms energy: -134.760431
where:
bonds (distance) C4'-P energy: -36.003
bonds (distance) P-C4' energy: -35.265
flat angles C4'-P-C4' energy: -32.363
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -12.593
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: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -851.695165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.695165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.695165 (E_RNA)
where:
Base-Base interactions energy: -589.568
where: short stacking energy: -254.994
Base-Backbone interact. energy: -0.510
local terms energy: -261.617098
where:
bonds (distance) C4'-P energy: -51.722
bonds (distance) P-C4' energy: -44.291
flat angles C4'-P-C4' energy: -51.611
flat angles P-C4'-P energy: -33.586
tors. eta vs tors. theta energy: -80.408
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: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -832.663544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.663544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.663544 (E_RNA)
where:
Base-Base interactions energy: -596.340
where: short stacking energy: -242.330
Base-Backbone interact. energy: 0.722
local terms energy: -237.045613
where:
bonds (distance) C4'-P energy: -42.461
bonds (distance) P-C4' energy: -44.072
flat angles C4'-P-C4' energy: -48.351
flat angles P-C4'-P energy: -33.255
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: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -777.063374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.063374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.063374 (E_RNA)
where:
Base-Base interactions energy: -545.333
where: short stacking energy: -211.969
Base-Backbone interact. energy: -2.812
local terms energy: -228.919096
where:
bonds (distance) C4'-P energy: -45.485
bonds (distance) P-C4' energy: -45.853
flat angles C4'-P-C4' energy: -41.769
flat angles P-C4'-P energy: -34.216
tors. eta vs tors. theta energy: -61.597
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: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -769.291807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.291807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.291807 (E_RNA)
where:
Base-Base interactions energy: -530.515
where: short stacking energy: -226.999
Base-Backbone interact. energy: -0.426
local terms energy: -238.350483
where:
bonds (distance) C4'-P energy: -44.535
bonds (distance) P-C4' energy: -51.417
flat angles C4'-P-C4' energy: -44.926
flat angles P-C4'-P energy: -35.063
tors. eta vs tors. theta energy: -62.409
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: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -726.597759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.597759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.597759 (E_RNA)
where:
Base-Base interactions energy: -496.496
where: short stacking energy: -215.392
Base-Backbone interact. energy: -1.060
local terms energy: -229.042521
where:
bonds (distance) C4'-P energy: -43.418
bonds (distance) P-C4' energy: -44.420
flat angles C4'-P-C4' energy: -48.899
flat angles P-C4'-P energy: -36.925
tors. eta vs tors. theta energy: -55.380
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: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -711.332231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.332231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.332231 (E_RNA)
where:
Base-Base interactions energy: -487.081
where: short stacking energy: -182.503
Base-Backbone interact. energy: 1.067
local terms energy: -225.318177
where:
bonds (distance) C4'-P energy: -48.100
bonds (distance) P-C4' energy: -49.726
flat angles C4'-P-C4' energy: -47.092
flat angles P-C4'-P energy: -25.585
tors. eta vs tors. theta energy: -54.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -600.825586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.825586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.825586 (E_RNA)
where:
Base-Base interactions energy: -404.901
where: short stacking energy: -167.157
Base-Backbone interact. energy: -1.913
local terms energy: -194.011261
where:
bonds (distance) C4'-P energy: -46.076
bonds (distance) P-C4' energy: -39.158
flat angles C4'-P-C4' energy: -43.185
flat angles P-C4'-P energy: -27.644
tors. eta vs tors. theta energy: -37.947
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: 2
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -461.615571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.615571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.615571 (E_RNA)
where:
Base-Base interactions energy: -281.081
where: short stacking energy: -123.388
Base-Backbone interact. energy: -0.630
local terms energy: -179.904119
where:
bonds (distance) C4'-P energy: -38.969
bonds (distance) P-C4' energy: -43.726
flat angles C4'-P-C4' energy: -42.765
flat angles P-C4'-P energy: -26.301
tors. eta vs tors. theta energy: -28.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -315.758690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.758690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.758690 (E_RNA)
where:
Base-Base interactions energy: -172.782
where: short stacking energy: -94.777
Base-Backbone interact. energy: 0.208
local terms energy: -143.184882
where:
bonds (distance) C4'-P energy: -47.612
bonds (distance) P-C4' energy: -38.706
flat angles C4'-P-C4' energy: -33.526
flat angles P-C4'-P energy: -20.664
tors. eta vs tors. theta energy: -2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -299.522202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.522202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.522202 (E_RNA)
where:
Base-Base interactions energy: -155.099
where: short stacking energy: -76.672
Base-Backbone interact. energy: 4.988
local terms energy: -149.410937
where:
bonds (distance) C4'-P energy: -43.819
bonds (distance) P-C4' energy: -46.614
flat angles C4'-P-C4' energy: -38.561
flat angles P-C4'-P energy: -19.857
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -854.471274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.471274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.471274 (E_RNA)
where:
Base-Base interactions energy: -595.918
where: short stacking energy: -254.018
Base-Backbone interact. energy: -0.352
local terms energy: -258.201272
where:
bonds (distance) C4'-P energy: -50.087
bonds (distance) P-C4' energy: -44.479
flat angles C4'-P-C4' energy: -48.254
flat angles P-C4'-P energy: -36.005
tors. eta vs tors. theta energy: -79.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -845.395704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.395704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.395704 (E_RNA)
where:
Base-Base interactions energy: -590.671
where: short stacking energy: -234.048
Base-Backbone interact. energy: -0.976
local terms energy: -253.747880
where:
bonds (distance) C4'-P energy: -47.325
bonds (distance) P-C4' energy: -45.618
flat angles C4'-P-C4' energy: -55.915
flat angles P-C4'-P energy: -36.887
tors. eta vs tors. theta energy: -68.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -784.932123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.932123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.932123 (E_RNA)
where:
Base-Base interactions energy: -547.517
where: short stacking energy: -216.232
Base-Backbone interact. energy: -2.071
local terms energy: -235.344527
where:
bonds (distance) C4'-P energy: -40.863
bonds (distance) P-C4' energy: -39.142
flat angles C4'-P-C4' energy: -49.483
flat angles P-C4'-P energy: -34.560
tors. eta vs tors. theta energy: -71.297
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: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -745.798964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.798964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.798964 (E_RNA)
where:
Base-Base interactions energy: -529.040
where: short stacking energy: -221.547
Base-Backbone interact. energy: -0.823
local terms energy: -215.936081
where:
bonds (distance) C4'-P energy: -37.728
bonds (distance) P-C4' energy: -46.825
flat angles C4'-P-C4' energy: -47.502
flat angles P-C4'-P energy: -20.003
tors. eta vs tors. theta energy: -63.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -743.650896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.650896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.650896 (E_RNA)
where:
Base-Base interactions energy: -510.949
where: short stacking energy: -202.996
Base-Backbone interact. energy: -0.361
local terms energy: -232.340663
where:
bonds (distance) C4'-P energy: -41.455
bonds (distance) P-C4' energy: -49.261
flat angles C4'-P-C4' energy: -49.072
flat angles P-C4'-P energy: -29.693
tors. eta vs tors. theta energy: -62.861
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: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -694.135692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.135692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.135692 (E_RNA)
where:
Base-Base interactions energy: -464.393
where: short stacking energy: -196.780
Base-Backbone interact. energy: 1.643
local terms energy: -231.385822
where:
bonds (distance) C4'-P energy: -41.495
bonds (distance) P-C4' energy: -43.148
flat angles C4'-P-C4' energy: -52.535
flat angles P-C4'-P energy: -38.910
tors. eta vs tors. theta energy: -55.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -658.501698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.501698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.501698 (E_RNA)
where:
Base-Base interactions energy: -436.822
where: short stacking energy: -206.138
Base-Backbone interact. energy: 0.134
local terms energy: -221.814230
where:
bonds (distance) C4'-P energy: -37.182
bonds (distance) P-C4' energy: -54.105
flat angles C4'-P-C4' energy: -44.209
flat angles P-C4'-P energy: -29.075
tors. eta vs tors. theta energy: -57.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -492.236940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.236940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.236940 (E_RNA)
where:
Base-Base interactions energy: -305.430
where: short stacking energy: -158.321
Base-Backbone interact. energy: -0.594
local terms energy: -186.213351
where:
bonds (distance) C4'-P energy: -43.487
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -42.347
flat angles P-C4'-P energy: -30.100
tors. eta vs tors. theta energy: -36.321
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: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -341.218572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.218572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.218572 (E_RNA)
where:
Base-Base interactions energy: -180.928
where: short stacking energy: -113.512
Base-Backbone interact. energy: -0.233
local terms energy: -160.058079
where:
bonds (distance) C4'-P energy: -31.082
bonds (distance) P-C4' energy: -46.435
flat angles C4'-P-C4' energy: -38.552
flat angles P-C4'-P energy: -20.562
tors. eta vs tors. theta energy: -23.427
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: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -282.518038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.518038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.518038 (E_RNA)
where:
Base-Base interactions energy: -145.195
where: short stacking energy: -98.032
Base-Backbone interact. energy: -0.155
local terms energy: -137.168833
where:
bonds (distance) C4'-P energy: -35.838
bonds (distance) P-C4' energy: -25.891
flat angles C4'-P-C4' energy: -36.545
flat angles P-C4'-P energy: -25.900
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -846.417836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.417836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.417836 (E_RNA)
where:
Base-Base interactions energy: -586.929
where: short stacking energy: -259.607
Base-Backbone interact. energy: -0.061
local terms energy: -259.428058
where:
bonds (distance) C4'-P energy: -44.125
bonds (distance) P-C4' energy: -48.843
flat angles C4'-P-C4' energy: -53.528
flat angles P-C4'-P energy: -38.472
tors. eta vs tors. theta energy: -74.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -801.003964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.003964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.003964 (E_RNA)
where:
Base-Base interactions energy: -558.599
where: short stacking energy: -225.583
Base-Backbone interact. energy: -0.797
local terms energy: -241.607819
where:
bonds (distance) C4'-P energy: -43.204
bonds (distance) P-C4' energy: -43.663
flat angles C4'-P-C4' energy: -49.089
flat angles P-C4'-P energy: -40.150
tors. eta vs tors. theta energy: -65.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -774.074652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.074652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.074652 (E_RNA)
where:
Base-Base interactions energy: -535.225
where: short stacking energy: -220.007
Base-Backbone interact. energy: -0.105
local terms energy: -238.744448
where:
bonds (distance) C4'-P energy: -41.126
bonds (distance) P-C4' energy: -50.128
flat angles C4'-P-C4' energy: -48.112
flat angles P-C4'-P energy: -33.298
tors. eta vs tors. theta energy: -66.080
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: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -759.035394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.035394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.035394 (E_RNA)
where:
Base-Base interactions energy: -521.413
where: short stacking energy: -206.423
Base-Backbone interact. energy: -0.614
local terms energy: -237.008661
where:
bonds (distance) C4'-P energy: -48.098
bonds (distance) P-C4' energy: -41.274
flat angles C4'-P-C4' energy: -50.183
flat angles P-C4'-P energy: -36.220
tors. eta vs tors. theta energy: -61.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -760.379763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.379763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.379763 (E_RNA)
where:
Base-Base interactions energy: -523.049
where: short stacking energy: -228.543
Base-Backbone interact. energy: -1.255
local terms energy: -236.075661
where:
bonds (distance) C4'-P energy: -46.446
bonds (distance) P-C4' energy: -41.469
flat angles C4'-P-C4' energy: -50.967
flat angles P-C4'-P energy: -30.035
tors. eta vs tors. theta energy: -67.158
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: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -701.792222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.792222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.792222 (E_RNA)
where:
Base-Base interactions energy: -484.020
where: short stacking energy: -210.468
Base-Backbone interact. energy: -0.739
local terms energy: -217.033022
where:
bonds (distance) C4'-P energy: -37.170
bonds (distance) P-C4' energy: -48.343
flat angles C4'-P-C4' energy: -44.330
flat angles P-C4'-P energy: -28.946
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: 7, replica: 7
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -628.547922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.547922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.547922 (E_RNA)
where:
Base-Base interactions energy: -434.036
where: short stacking energy: -182.268
Base-Backbone interact. energy: -0.582
local terms energy: -193.930044
where:
bonds (distance) C4'-P energy: -34.504
bonds (distance) P-C4' energy: -40.402
flat angles C4'-P-C4' energy: -42.192
flat angles P-C4'-P energy: -33.388
tors. eta vs tors. theta energy: -43.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -444.454881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.454881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.454881 (E_RNA)
where:
Base-Base interactions energy: -269.273
where: short stacking energy: -118.450
Base-Backbone interact. energy: 0.001
local terms energy: -175.182424
where:
bonds (distance) C4'-P energy: -40.743
bonds (distance) P-C4' energy: -37.384
flat angles C4'-P-C4' energy: -49.800
flat angles P-C4'-P energy: -26.853
tors. eta vs tors. theta energy: -20.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -337.556964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.556964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.556964 (E_RNA)
where:
Base-Base interactions energy: -194.853
where: short stacking energy: -103.504
Base-Backbone interact. energy: -0.404
local terms energy: -142.300362
where:
bonds (distance) C4'-P energy: -36.139
bonds (distance) P-C4' energy: -41.349
flat angles C4'-P-C4' energy: -36.062
flat angles P-C4'-P energy: -19.433
tors. eta vs tors. theta energy: -9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -305.033269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.033269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.033269 (E_RNA)
where:
Base-Base interactions energy: -154.929
where: short stacking energy: -75.336
Base-Backbone interact. energy: -0.901
local terms energy: -149.203726
where:
bonds (distance) C4'-P energy: -44.455
bonds (distance) P-C4' energy: -46.126
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -34.636
tors. eta vs tors. theta energy: 0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -841.916430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.916430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.916430 (E_RNA)
where:
Base-Base interactions energy: -582.874
where: short stacking energy: -258.335
Base-Backbone interact. energy: -0.366
local terms energy: -258.676733
where:
bonds (distance) C4'-P energy: -48.238
bonds (distance) P-C4' energy: -49.990
flat angles C4'-P-C4' energy: -50.543
flat angles P-C4'-P energy: -34.837
tors. eta vs tors. theta energy: -75.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -818.514860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.514860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.514860 (E_RNA)
where:
Base-Base interactions energy: -578.549
where: short stacking energy: -240.584
Base-Backbone interact. energy: -1.440
local terms energy: -238.526022
where:
bonds (distance) C4'-P energy: -40.247
bonds (distance) P-C4' energy: -47.173
flat angles C4'-P-C4' energy: -45.826
flat angles P-C4'-P energy: -39.201
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: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -770.853257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.853257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.853257 (E_RNA)
where:
Base-Base interactions energy: -535.493
where: short stacking energy: -229.733
Base-Backbone interact. energy: -0.457
local terms energy: -234.902848
where:
bonds (distance) C4'-P energy: -41.581
bonds (distance) P-C4' energy: -42.191
flat angles C4'-P-C4' energy: -50.961
flat angles P-C4'-P energy: -30.583
tors. eta vs tors. theta energy: -69.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -753.176515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.176515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.176515 (E_RNA)
where:
Base-Base interactions energy: -523.106
where: short stacking energy: -219.066
Base-Backbone interact. energy: -1.021
local terms energy: -229.049728
where:
bonds (distance) C4'-P energy: -44.491
bonds (distance) P-C4' energy: -40.528
flat angles C4'-P-C4' energy: -52.956
flat angles P-C4'-P energy: -29.135
tors. eta vs tors. theta energy: -61.940
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: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -732.904683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.904683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.904683 (E_RNA)
where:
Base-Base interactions energy: -513.102
where: short stacking energy: -206.971
Base-Backbone interact. energy: -2.722
local terms energy: -217.081378
where:
bonds (distance) C4'-P energy: -39.695
bonds (distance) P-C4' energy: -43.194
flat angles C4'-P-C4' energy: -44.817
flat angles P-C4'-P energy: -30.753
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: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -683.217561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.217561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.217561 (E_RNA)
where:
Base-Base interactions energy: -460.503
where: short stacking energy: -199.983
Base-Backbone interact. energy: -1.265
local terms energy: -221.450076
where:
bonds (distance) C4'-P energy: -47.337
bonds (distance) P-C4' energy: -43.095
flat angles C4'-P-C4' energy: -43.023
flat angles P-C4'-P energy: -29.984
tors. eta vs tors. theta energy: -58.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -625.739894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.739894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.739894 (E_RNA)
where:
Base-Base interactions energy: -431.767
where: short stacking energy: -196.610
Base-Backbone interact. energy: -0.921
local terms energy: -193.051605
where:
bonds (distance) C4'-P energy: -34.431
bonds (distance) P-C4' energy: -46.555
flat angles C4'-P-C4' energy: -39.842
flat angles P-C4'-P energy: -23.840
tors. eta vs tors. theta energy: -48.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -422.940281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.940281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.940281 (E_RNA)
where:
Base-Base interactions energy: -263.409
where: short stacking energy: -125.277
Base-Backbone interact. energy: 0.141
local terms energy: -159.672816
where:
bonds (distance) C4'-P energy: -41.926
bonds (distance) P-C4' energy: -35.582
flat angles C4'-P-C4' energy: -35.518
flat angles P-C4'-P energy: -29.256
tors. eta vs tors. theta energy: -17.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -340.791892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.791892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.791892 (E_RNA)
where:
Base-Base interactions energy: -179.534
where: short stacking energy: -79.790
Base-Backbone interact. energy: -0.828
local terms energy: -160.429797
where:
bonds (distance) C4'-P energy: -34.792
bonds (distance) P-C4' energy: -45.717
flat angles C4'-P-C4' energy: -36.824
flat angles P-C4'-P energy: -27.024
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -316.058749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.058749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.058749 (E_RNA)
where:
Base-Base interactions energy: -175.485
where: short stacking energy: -87.844
Base-Backbone interact. energy: -1.766
local terms energy: -138.807210
where:
bonds (distance) C4'-P energy: -34.263
bonds (distance) P-C4' energy: -40.113
flat angles C4'-P-C4' energy: -42.928
flat angles P-C4'-P energy: -20.842
tors. eta vs tors. theta energy: -0.661
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: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -850.354296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.354296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.354296 (E_RNA)
where:
Base-Base interactions energy: -585.349
where: short stacking energy: -259.369
Base-Backbone interact. energy: -0.356
local terms energy: -264.650060
where:
bonds (distance) C4'-P energy: -53.523
bonds (distance) P-C4' energy: -48.221
flat angles C4'-P-C4' energy: -50.030
flat angles P-C4'-P energy: -40.018
tors. eta vs tors. theta energy: -72.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -829.158804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.158804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.158804 (E_RNA)
where:
Base-Base interactions energy: -578.263
where: short stacking energy: -233.821
Base-Backbone interact. energy: -0.688
local terms energy: -250.207049
where:
bonds (distance) C4'-P energy: -47.225
bonds (distance) P-C4' energy: -47.112
flat angles C4'-P-C4' energy: -48.683
flat angles P-C4'-P energy: -40.903
tors. eta vs tors. theta energy: -66.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -779.231103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.231103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.231103 (E_RNA)
where:
Base-Base interactions energy: -545.743
where: short stacking energy: -223.458
Base-Backbone interact. energy: -0.960
local terms energy: -232.528272
where:
bonds (distance) C4'-P energy: -43.698
bonds (distance) P-C4' energy: -44.639
flat angles C4'-P-C4' energy: -47.273
flat angles P-C4'-P energy: -34.239
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: 4, replica: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -741.449498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.449498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.449498 (E_RNA)
where:
Base-Base interactions energy: -510.783
where: short stacking energy: -222.200
Base-Backbone interact. energy: -0.696
local terms energy: -229.970728
where:
bonds (distance) C4'-P energy: -38.917
bonds (distance) P-C4' energy: -39.484
flat angles C4'-P-C4' energy: -48.862
flat angles P-C4'-P energy: -37.108
tors. eta vs tors. theta energy: -65.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -728.167077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.167077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.167077 (E_RNA)
where:
Base-Base interactions energy: -505.632
where: short stacking energy: -208.225
Base-Backbone interact. energy: -0.471
local terms energy: -222.064578
where:
bonds (distance) C4'-P energy: -44.350
bonds (distance) P-C4' energy: -35.075
flat angles C4'-P-C4' energy: -40.944
flat angles P-C4'-P energy: -33.190
tors. eta vs tors. theta energy: -68.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -683.609762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.609762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.609762 (E_RNA)
where:
Base-Base interactions energy: -456.342
where: short stacking energy: -193.392
Base-Backbone interact. energy: 0.692
local terms energy: -227.959895
where:
bonds (distance) C4'-P energy: -36.563
bonds (distance) P-C4' energy: -46.714
flat angles C4'-P-C4' energy: -49.571
flat angles P-C4'-P energy: -37.392
tors. eta vs tors. theta energy: -57.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -620.971417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.971417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.971417 (E_RNA)
where:
Base-Base interactions energy: -414.304
where: short stacking energy: -183.090
Base-Backbone interact. energy: -2.843
local terms energy: -203.823841
where:
bonds (distance) C4'-P energy: -40.232
bonds (distance) P-C4' energy: -32.228
flat angles C4'-P-C4' energy: -47.972
flat angles P-C4'-P energy: -37.187
tors. eta vs tors. theta energy: -46.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -428.935586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.935586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.935586 (E_RNA)
where:
Base-Base interactions energy: -261.530
where: short stacking energy: -135.985
Base-Backbone interact. energy: -0.398
local terms energy: -167.007720
where:
bonds (distance) C4'-P energy: -41.002
bonds (distance) P-C4' energy: -30.754
flat angles C4'-P-C4' energy: -38.396
flat angles P-C4'-P energy: -27.283
tors. eta vs tors. theta energy: -29.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -392.801159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.801159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.801159 (E_RNA)
where:
Base-Base interactions energy: -242.078
where: short stacking energy: -124.665
Base-Backbone interact. energy: 2.942
local terms energy: -153.665899
where:
bonds (distance) C4'-P energy: -39.765
bonds (distance) P-C4' energy: -47.620
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -31.453
tors. eta vs tors. theta energy: -12.326
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: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -309.547874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.547874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.547874 (E_RNA)
where:
Base-Base interactions energy: -179.168
where: short stacking energy: -97.651
Base-Backbone interact. energy: -0.962
local terms energy: -129.417384
where:
bonds (distance) C4'-P energy: -37.762
bonds (distance) P-C4' energy: -47.507
flat angles C4'-P-C4' energy: -26.556
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: 1.429
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: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -844.872577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.872577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.872577 (E_RNA)
where:
Base-Base interactions energy: -586.827
where: short stacking energy: -255.585
Base-Backbone interact. energy: 0.596
local terms energy: -258.641631
where:
bonds (distance) C4'-P energy: -48.420
bonds (distance) P-C4' energy: -48.149
flat angles C4'-P-C4' energy: -53.419
flat angles P-C4'-P energy: -40.330
tors. eta vs tors. theta energy: -68.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -807.285795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.285795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.285795 (E_RNA)
where:
Base-Base interactions energy: -570.126
where: short stacking energy: -239.524
Base-Backbone interact. energy: -0.994
local terms energy: -236.165366
where:
bonds (distance) C4'-P energy: -38.612
bonds (distance) P-C4' energy: -45.645
flat angles C4'-P-C4' energy: -49.777
flat angles P-C4'-P energy: -35.070
tors. eta vs tors. theta energy: -67.062
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: 364
Temperature: 1.000000
Total energy: -768.197639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.197639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.197639 (E_RNA)
where:
Base-Base interactions energy: -542.160
where: short stacking energy: -239.305
Base-Backbone interact. energy: -2.222
local terms energy: -223.815947
where:
bonds (distance) C4'-P energy: -39.492
bonds (distance) P-C4' energy: -42.436
flat angles C4'-P-C4' energy: -52.672
flat angles P-C4'-P energy: -19.880
tors. eta vs tors. theta energy: -69.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -767.673011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.673011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.673011 (E_RNA)
where:
Base-Base interactions energy: -529.403
where: short stacking energy: -216.262
Base-Backbone interact. energy: -1.166
local terms energy: -237.104643
where:
bonds (distance) C4'-P energy: -46.278
bonds (distance) P-C4' energy: -44.453
flat angles C4'-P-C4' energy: -46.900
flat angles P-C4'-P energy: -35.723
tors. eta vs tors. theta energy: -63.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -717.544918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.544918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.544918 (E_RNA)
where:
Base-Base interactions energy: -483.168
where: short stacking energy: -214.192
Base-Backbone interact. energy: -1.287
local terms energy: -233.089981
where:
bonds (distance) C4'-P energy: -50.996
bonds (distance) P-C4' energy: -34.753
flat angles C4'-P-C4' energy: -49.986
flat angles P-C4'-P energy: -36.301
tors. eta vs tors. theta energy: -61.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -678.607705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.607705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.607705 (E_RNA)
where:
Base-Base interactions energy: -459.308
where: short stacking energy: -190.632
Base-Backbone interact. energy: -1.518
local terms energy: -217.781655
where:
bonds (distance) C4'-P energy: -42.600
bonds (distance) P-C4' energy: -44.531
flat angles C4'-P-C4' energy: -47.375
flat angles P-C4'-P energy: -27.371
tors. eta vs tors. theta energy: -55.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -594.596800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.596800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.596800 (E_RNA)
where:
Base-Base interactions energy: -398.548
where: short stacking energy: -173.172
Base-Backbone interact. energy: 0.086
local terms energy: -196.134977
where:
bonds (distance) C4'-P energy: -41.963
bonds (distance) P-C4' energy: -41.123
flat angles C4'-P-C4' energy: -50.142
flat angles P-C4'-P energy: -22.582
tors. eta vs tors. theta energy: -40.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -462.114142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.114142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.114142 (E_RNA)
where:
Base-Base interactions energy: -283.709
where: short stacking energy: -140.903
Base-Backbone interact. energy: -0.627
local terms energy: -177.777715
where:
bonds (distance) C4'-P energy: -44.449
bonds (distance) P-C4' energy: -42.494
flat angles C4'-P-C4' energy: -39.128
flat angles P-C4'-P energy: -25.566
tors. eta vs tors. theta energy: -26.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -387.652929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.652929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.652929 (E_RNA)
where:
Base-Base interactions energy: -233.666
where: short stacking energy: -115.135
Base-Backbone interact. energy: 3.524
local terms energy: -157.511274
where:
bonds (distance) C4'-P energy: -38.397
bonds (distance) P-C4' energy: -44.827
flat angles C4'-P-C4' energy: -37.075
flat angles P-C4'-P energy: -30.274
tors. eta vs tors. theta energy: -6.938
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: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -309.538419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.538419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.538419 (E_RNA)
where:
Base-Base interactions energy: -153.881
where: short stacking energy: -73.641
Base-Backbone interact. energy: 1.123
local terms energy: -156.780477
where:
bonds (distance) C4'-P energy: -36.762
bonds (distance) P-C4' energy: -50.010
flat angles C4'-P-C4' energy: -40.786
flat angles P-C4'-P energy: -32.829
tors. eta vs tors. theta energy: 3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -841.564471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.564471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.564471 (E_RNA)
where:
Base-Base interactions energy: -581.201
where: short stacking energy: -258.031
Base-Backbone interact. energy: -0.385
local terms energy: -259.978410
where:
bonds (distance) C4'-P energy: -50.865
bonds (distance) P-C4' energy: -50.398
flat angles C4'-P-C4' energy: -55.045
flat angles P-C4'-P energy: -29.388
tors. eta vs tors. theta energy: -74.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -829.119136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.119136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.119136 (E_RNA)
where:
Base-Base interactions energy: -582.401
where: short stacking energy: -241.555
Base-Backbone interact. energy: -0.304
local terms energy: -246.413754
where:
bonds (distance) C4'-P energy: -45.155
bonds (distance) P-C4' energy: -48.656
flat angles C4'-P-C4' energy: -52.407
flat angles P-C4'-P energy: -33.104
tors. eta vs tors. theta energy: -67.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -751.430326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.430326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.430326 (E_RNA)
where:
Base-Base interactions energy: -518.429
where: short stacking energy: -217.918
Base-Backbone interact. energy: -2.305
local terms energy: -230.695764
where:
bonds (distance) C4'-P energy: -44.642
bonds (distance) P-C4' energy: -47.098
flat angles C4'-P-C4' energy: -52.314
flat angles P-C4'-P energy: -33.019
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: 4, replica: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -782.399479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.399479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.399479 (E_RNA)
where:
Base-Base interactions energy: -544.769
where: short stacking energy: -226.736
Base-Backbone interact. energy: -1.462
local terms energy: -236.167730
where:
bonds (distance) C4'-P energy: -35.987
bonds (distance) P-C4' energy: -41.217
flat angles C4'-P-C4' energy: -49.580
flat angles P-C4'-P energy: -40.870
tors. eta vs tors. theta energy: -68.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -707.915861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.915861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.915861 (E_RNA)
where:
Base-Base interactions energy: -474.291
where: short stacking energy: -220.560
Base-Backbone interact. energy: -1.636
local terms energy: -231.988990
where:
bonds (distance) C4'-P energy: -43.372
bonds (distance) P-C4' energy: -44.912
flat angles C4'-P-C4' energy: -49.867
flat angles P-C4'-P energy: -33.049
tors. eta vs tors. theta energy: -60.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -695.172652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.172652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.172652 (E_RNA)
where:
Base-Base interactions energy: -483.513
where: short stacking energy: -185.335
Base-Backbone interact. energy: -0.498
local terms energy: -211.161845
where:
bonds (distance) C4'-P energy: -37.920
bonds (distance) P-C4' energy: -46.180
flat angles C4'-P-C4' energy: -49.219
flat angles P-C4'-P energy: -22.723
tors. eta vs tors. theta energy: -55.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -653.546263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.546263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.546263 (E_RNA)
where:
Base-Base interactions energy: -446.663
where: short stacking energy: -203.934
Base-Backbone interact. energy: 1.274
local terms energy: -208.157680
where:
bonds (distance) C4'-P energy: -33.975
bonds (distance) P-C4' energy: -45.933
flat angles C4'-P-C4' energy: -46.014
flat angles P-C4'-P energy: -24.521
tors. eta vs tors. theta energy: -57.715
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: 2
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -483.303614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.303614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.303614 (E_RNA)
where:
Base-Base interactions energy: -300.175
where: short stacking energy: -135.309
Base-Backbone interact. energy: -1.336
local terms energy: -181.792409
where:
bonds (distance) C4'-P energy: -42.333
bonds (distance) P-C4' energy: -41.099
flat angles C4'-P-C4' energy: -46.080
flat angles P-C4'-P energy: -26.724
tors. eta vs tors. theta energy: -25.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -382.975336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.975336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.975336 (E_RNA)
where:
Base-Base interactions energy: -226.131
where: short stacking energy: -131.352
Base-Backbone interact. energy: -0.631
local terms energy: -156.213832
where:
bonds (distance) C4'-P energy: -29.078
bonds (distance) P-C4' energy: -39.033
flat angles C4'-P-C4' energy: -38.824
flat angles P-C4'-P energy: -19.935
tors. eta vs tors. theta energy: -29.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -310.591081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.591081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.591081 (E_RNA)
where:
Base-Base interactions energy: -166.008
where: short stacking energy: -100.414
Base-Backbone interact. energy: -0.531
local terms energy: -144.052207
where:
bonds (distance) C4'-P energy: -42.448
bonds (distance) P-C4' energy: -37.597
flat angles C4'-P-C4' energy: -38.790
flat angles P-C4'-P energy: -19.696
tors. eta vs tors. theta energy: -5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -853.272744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.272744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.272744 (E_RNA)
where:
Base-Base interactions energy: -589.123
where: short stacking energy: -258.996
Base-Backbone interact. energy: -0.416
local terms energy: -263.733701
where:
bonds (distance) C4'-P energy: -47.055
bonds (distance) P-C4' energy: -44.334
flat angles C4'-P-C4' energy: -56.846
flat angles P-C4'-P energy: -35.728
tors. eta vs tors. theta energy: -79.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -822.754902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.754902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.754902 (E_RNA)
where:
Base-Base interactions energy: -577.866
where: short stacking energy: -236.649
Base-Backbone interact. energy: -3.430
local terms energy: -241.458172
where:
bonds (distance) C4'-P energy: -46.494
bonds (distance) P-C4' energy: -44.102
flat angles C4'-P-C4' energy: -54.453
flat angles P-C4'-P energy: -29.736
tors. eta vs tors. theta energy: -66.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -782.612902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.612902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.612902 (E_RNA)
where:
Base-Base interactions energy: -543.192
where: short stacking energy: -223.536
Base-Backbone interact. energy: -0.578
local terms energy: -238.842833
where:
bonds (distance) C4'-P energy: -40.549
bonds (distance) P-C4' energy: -45.726
flat angles C4'-P-C4' energy: -51.881
flat angles P-C4'-P energy: -38.485
tors. eta vs tors. theta energy: -62.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -744.773337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.773337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.773337 (E_RNA)
where:
Base-Base interactions energy: -509.292
where: short stacking energy: -219.834
Base-Backbone interact. energy: -0.003
local terms energy: -235.478825
where:
bonds (distance) C4'-P energy: -42.985
bonds (distance) P-C4' energy: -40.201
flat angles C4'-P-C4' energy: -51.526
flat angles P-C4'-P energy: -33.863
tors. eta vs tors. theta energy: -66.905
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: 366
Temperature: 1.100000
Total energy: -709.358779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.358779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.358779 (E_RNA)
where:
Base-Base interactions energy: -487.788
where: short stacking energy: -193.539
Base-Backbone interact. energy: -1.479
local terms energy: -220.091157
where:
bonds (distance) C4'-P energy: -34.615
bonds (distance) P-C4' energy: -51.775
flat angles C4'-P-C4' energy: -47.640
flat angles P-C4'-P energy: -30.916
tors. eta vs tors. theta energy: -55.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -684.618018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.618018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.618018 (E_RNA)
where:
Base-Base interactions energy: -459.280
where: short stacking energy: -204.162
Base-Backbone interact. energy: -1.199
local terms energy: -224.139143
where:
bonds (distance) C4'-P energy: -45.924
bonds (distance) P-C4' energy: -41.399
flat angles C4'-P-C4' energy: -45.910
flat angles P-C4'-P energy: -32.394
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: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -603.294726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.294726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.294726 (E_RNA)
where:
Base-Base interactions energy: -401.973
where: short stacking energy: -164.081
Base-Backbone interact. energy: -0.637
local terms energy: -200.684321
where:
bonds (distance) C4'-P energy: -35.855
bonds (distance) P-C4' energy: -49.242
flat angles C4'-P-C4' energy: -45.016
flat angles P-C4'-P energy: -28.662
tors. eta vs tors. theta energy: -41.908
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: 2
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -481.330864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.330864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.330864 (E_RNA)
where:
Base-Base interactions energy: -323.876
where: short stacking energy: -161.665
Base-Backbone interact. energy: -1.400
local terms energy: -156.055469
where:
bonds (distance) C4'-P energy: -31.095
bonds (distance) P-C4' energy: -32.054
flat angles C4'-P-C4' energy: -39.713
flat angles P-C4'-P energy: -20.993
tors. eta vs tors. theta energy: -32.202
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: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -435.558693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.558693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.558693 (E_RNA)
where:
Base-Base interactions energy: -266.065
where: short stacking energy: -118.142
Base-Backbone interact. energy: -0.226
local terms energy: -169.268475
where:
bonds (distance) C4'-P energy: -35.034
bonds (distance) P-C4' energy: -44.123
flat angles C4'-P-C4' energy: -42.427
flat angles P-C4'-P energy: -22.141
tors. eta vs tors. theta energy: -25.544
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: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -307.782183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.782183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.782183 (E_RNA)
where:
Base-Base interactions energy: -166.021
where: short stacking energy: -96.310
Base-Backbone interact. energy: -0.475
local terms energy: -141.286201
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -34.653
flat angles C4'-P-C4' energy: -42.328
flat angles P-C4'-P energy: -30.593
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -849.027517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.027517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.027517 (E_RNA)
where:
Base-Base interactions energy: -588.824
where: short stacking energy: -254.993
Base-Backbone interact. energy: -0.655
local terms energy: -259.548711
where:
bonds (distance) C4'-P energy: -45.723
bonds (distance) P-C4' energy: -51.590
flat angles C4'-P-C4' energy: -54.978
flat angles P-C4'-P energy: -29.917
tors. eta vs tors. theta energy: -77.341
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: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -822.798267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.798267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.798267 (E_RNA)
where:
Base-Base interactions energy: -591.516
where: short stacking energy: -239.308
Base-Backbone interact. energy: -1.300
local terms energy: -229.981901
where:
bonds (distance) C4'-P energy: -47.849
bonds (distance) P-C4' energy: -40.431
flat angles C4'-P-C4' energy: -50.302
flat angles P-C4'-P energy: -31.381
tors. eta vs tors. theta energy: -60.020
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: 367
Temperature: 1.000000
Total energy: -786.806528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.806528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.806528 (E_RNA)
where:
Base-Base interactions energy: -559.648
where: short stacking energy: -231.112
Base-Backbone interact. energy: -0.266
local terms energy: -226.892497
where:
bonds (distance) C4'-P energy: -35.290
bonds (distance) P-C4' energy: -45.321
flat angles C4'-P-C4' energy: -49.372
flat angles P-C4'-P energy: -33.117
tors. eta vs tors. theta energy: -63.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -746.225997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.225997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.225997 (E_RNA)
where:
Base-Base interactions energy: -522.227
where: short stacking energy: -223.805
Base-Backbone interact. energy: -0.793
local terms energy: -223.205338
where:
bonds (distance) C4'-P energy: -42.057
bonds (distance) P-C4' energy: -39.599
flat angles C4'-P-C4' energy: -47.422
flat angles P-C4'-P energy: -31.615
tors. eta vs tors. theta energy: -62.512
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: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -722.424231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.424231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.424231 (E_RNA)
where:
Base-Base interactions energy: -500.475
where: short stacking energy: -216.355
Base-Backbone interact. energy: 1.102
local terms energy: -223.051232
where:
bonds (distance) C4'-P energy: -38.553
bonds (distance) P-C4' energy: -41.527
flat angles C4'-P-C4' energy: -49.558
flat angles P-C4'-P energy: -32.739
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: 6, replica: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -686.617875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.617875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.617875 (E_RNA)
where:
Base-Base interactions energy: -475.660
where: short stacking energy: -210.630
Base-Backbone interact. energy: -1.633
local terms energy: -209.324391
where:
bonds (distance) C4'-P energy: -42.393
bonds (distance) P-C4' energy: -37.656
flat angles C4'-P-C4' energy: -47.438
flat angles P-C4'-P energy: -29.712
tors. eta vs tors. theta energy: -52.126
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: 7
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -577.999178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.999178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.999178 (E_RNA)
where:
Base-Base interactions energy: -406.664
where: short stacking energy: -171.266
Base-Backbone interact. energy: -1.528
local terms energy: -169.806978
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -37.717
flat angles C4'-P-C4' energy: -47.737
flat angles P-C4'-P energy: -28.526
tors. eta vs tors. theta energy: -34.030
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: 2
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -489.512729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.512729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.512729 (E_RNA)
where:
Base-Base interactions energy: -310.872
where: short stacking energy: -147.186
Base-Backbone interact. energy: -2.032
local terms energy: -176.607879
where:
bonds (distance) C4'-P energy: -45.715
bonds (distance) P-C4' energy: -43.565
flat angles C4'-P-C4' energy: -35.491
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -30.159
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: 367
Temperature: 1.300000
Total energy: -391.258197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.258197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.258197 (E_RNA)
where:
Base-Base interactions energy: -227.535
where: short stacking energy: -113.097
Base-Backbone interact. energy: -1.156
local terms energy: -162.566481
where:
bonds (distance) C4'-P energy: -41.577
bonds (distance) P-C4' energy: -39.443
flat angles C4'-P-C4' energy: -39.439
flat angles P-C4'-P energy: -24.386
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -303.152181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.152181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.152181 (E_RNA)
where:
Base-Base interactions energy: -163.831
where: short stacking energy: -89.785
Base-Backbone interact. energy: -1.200
local terms energy: -138.121701
where:
bonds (distance) C4'-P energy: -36.986
bonds (distance) P-C4' energy: -48.209
flat angles C4'-P-C4' energy: -29.623
flat angles P-C4'-P energy: -18.370
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -859.501992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.501992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.501992 (E_RNA)
where:
Base-Base interactions energy: -603.940
where: short stacking energy: -246.770
Base-Backbone interact. energy: -2.049
local terms energy: -253.513081
where:
bonds (distance) C4'-P energy: -44.860
bonds (distance) P-C4' energy: -48.341
flat angles C4'-P-C4' energy: -49.829
flat angles P-C4'-P energy: -39.686
tors. eta vs tors. theta energy: -70.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -829.283842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.283842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.283842 (E_RNA)
where:
Base-Base interactions energy: -566.303
where: short stacking energy: -245.812
Base-Backbone interact. energy: 0.437
local terms energy: -263.417848
where:
bonds (distance) C4'-P energy: -46.973
bonds (distance) P-C4' energy: -52.446
flat angles C4'-P-C4' energy: -48.030
flat angles P-C4'-P energy: -42.035
tors. eta vs tors. theta energy: -73.935
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: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -772.564754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.564754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.564754 (E_RNA)
where:
Base-Base interactions energy: -540.524
where: short stacking energy: -220.758
Base-Backbone interact. energy: -1.574
local terms energy: -230.466767
where:
bonds (distance) C4'-P energy: -54.794
bonds (distance) P-C4' energy: -37.461
flat angles C4'-P-C4' energy: -49.126
flat angles P-C4'-P energy: -27.376
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: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -761.916379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.916379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.916379 (E_RNA)
where:
Base-Base interactions energy: -530.981
where: short stacking energy: -226.617
Base-Backbone interact. energy: -0.987
local terms energy: -229.947534
where:
bonds (distance) C4'-P energy: -34.903
bonds (distance) P-C4' energy: -48.828
flat angles C4'-P-C4' energy: -48.089
flat angles P-C4'-P energy: -34.576
tors. eta vs tors. theta energy: -63.551
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: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -742.958895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.958895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.958895 (E_RNA)
where:
Base-Base interactions energy: -509.937
where: short stacking energy: -220.594
Base-Backbone interact. energy: 0.220
local terms energy: -233.242295
where:
bonds (distance) C4'-P energy: -33.854
bonds (distance) P-C4' energy: -40.809
flat angles C4'-P-C4' energy: -59.227
flat angles P-C4'-P energy: -36.943
tors. eta vs tors. theta energy: -62.409
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: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -682.745666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.745666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.745666 (E_RNA)
where:
Base-Base interactions energy: -467.846
where: short stacking energy: -210.879
Base-Backbone interact. energy: -0.540
local terms energy: -214.359403
where:
bonds (distance) C4'-P energy: -42.005
bonds (distance) P-C4' energy: -33.164
flat angles C4'-P-C4' energy: -45.359
flat angles P-C4'-P energy: -32.953
tors. eta vs tors. theta energy: -60.878
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: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -616.238910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.238910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.238910 (E_RNA)
where:
Base-Base interactions energy: -417.705
where: short stacking energy: -172.601
Base-Backbone interact. energy: -2.230
local terms energy: -196.304503
where:
bonds (distance) C4'-P energy: -39.069
bonds (distance) P-C4' energy: -45.138
flat angles C4'-P-C4' energy: -46.840
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -45.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -510.725850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.725850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.725850 (E_RNA)
where:
Base-Base interactions energy: -337.371
where: short stacking energy: -168.266
Base-Backbone interact. energy: -0.994
local terms energy: -172.360894
where:
bonds (distance) C4'-P energy: -42.535
bonds (distance) P-C4' energy: -24.546
flat angles C4'-P-C4' energy: -44.133
flat angles P-C4'-P energy: -23.760
tors. eta vs tors. theta energy: -37.388
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: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -387.405484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.405484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.405484 (E_RNA)
where:
Base-Base interactions energy: -233.002
where: short stacking energy: -127.112
Base-Backbone interact. energy: -0.556
local terms energy: -153.847715
where:
bonds (distance) C4'-P energy: -42.952
bonds (distance) P-C4' energy: -33.548
flat angles C4'-P-C4' energy: -34.981
flat angles P-C4'-P energy: -24.637
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -301.576351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.576351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.576351 (E_RNA)
where:
Base-Base interactions energy: -139.445
where: short stacking energy: -82.408
Base-Backbone interact. energy: -0.434
local terms energy: -161.697678
where:
bonds (distance) C4'-P energy: -45.195
bonds (distance) P-C4' energy: -34.883
flat angles C4'-P-C4' energy: -40.152
flat angles P-C4'-P energy: -22.553
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -854.511332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.511332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.511332 (E_RNA)
where:
Base-Base interactions energy: -602.528
where: short stacking energy: -251.316
Base-Backbone interact. energy: -1.035
local terms energy: -250.948000
where:
bonds (distance) C4'-P energy: -41.909
bonds (distance) P-C4' energy: -46.896
flat angles C4'-P-C4' energy: -56.284
flat angles P-C4'-P energy: -39.777
tors. eta vs tors. theta energy: -66.081
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: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -794.964342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.964342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.964342 (E_RNA)
where:
Base-Base interactions energy: -545.957
where: short stacking energy: -230.449
Base-Backbone interact. energy: 0.951
local terms energy: -249.958043
where:
bonds (distance) C4'-P energy: -48.544
bonds (distance) P-C4' energy: -36.921
flat angles C4'-P-C4' energy: -52.589
flat angles P-C4'-P energy: -36.571
tors. eta vs tors. theta energy: -75.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -819.909194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.909194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.909194 (E_RNA)
where:
Base-Base interactions energy: -557.037
where: short stacking energy: -245.693
Base-Backbone interact. energy: -1.397
local terms energy: -261.475900
where:
bonds (distance) C4'-P energy: -42.215
bonds (distance) P-C4' energy: -47.647
flat angles C4'-P-C4' energy: -54.896
flat angles P-C4'-P energy: -36.633
tors. eta vs tors. theta energy: -80.085
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: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -774.893811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.893811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.893811 (E_RNA)
where:
Base-Base interactions energy: -543.267
where: short stacking energy: -231.264
Base-Backbone interact. energy: -0.879
local terms energy: -230.748185
where:
bonds (distance) C4'-P energy: -46.559
bonds (distance) P-C4' energy: -45.565
flat angles C4'-P-C4' energy: -44.593
flat angles P-C4'-P energy: -27.913
tors. eta vs tors. theta energy: -66.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -741.324876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.324876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.324876 (E_RNA)
where:
Base-Base interactions energy: -512.860
where: short stacking energy: -200.264
Base-Backbone interact. energy: 0.053
local terms energy: -228.517692
where:
bonds (distance) C4'-P energy: -46.490
bonds (distance) P-C4' energy: -42.074
flat angles C4'-P-C4' energy: -54.610
flat angles P-C4'-P energy: -24.998
tors. eta vs tors. theta energy: -60.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -704.267614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.267614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.267614 (E_RNA)
where:
Base-Base interactions energy: -470.035
where: short stacking energy: -213.039
Base-Backbone interact. energy: -0.744
local terms energy: -233.489009
where:
bonds (distance) C4'-P energy: -41.421
bonds (distance) P-C4' energy: -46.440
flat angles C4'-P-C4' energy: -51.836
flat angles P-C4'-P energy: -34.145
tors. eta vs tors. theta energy: -59.647
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: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -627.054668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.054668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.054668 (E_RNA)
where:
Base-Base interactions energy: -401.143
where: short stacking energy: -168.101
Base-Backbone interact. energy: -2.000
local terms energy: -223.911585
where:
bonds (distance) C4'-P energy: -42.811
bonds (distance) P-C4' energy: -50.966
flat angles C4'-P-C4' energy: -51.102
flat angles P-C4'-P energy: -27.198
tors. eta vs tors. theta energy: -51.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -505.714968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.714968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.714968 (E_RNA)
where:
Base-Base interactions energy: -311.910
where: short stacking energy: -156.197
Base-Backbone interact. energy: -0.629
local terms energy: -193.175939
where:
bonds (distance) C4'-P energy: -31.627
bonds (distance) P-C4' energy: -46.405
flat angles C4'-P-C4' energy: -46.650
flat angles P-C4'-P energy: -34.567
tors. eta vs tors. theta energy: -33.926
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: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -391.576957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.576957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.576957 (E_RNA)
where:
Base-Base interactions energy: -227.378
where: short stacking energy: -121.512
Base-Backbone interact. energy: -1.158
local terms energy: -163.040907
where:
bonds (distance) C4'-P energy: -38.940
bonds (distance) P-C4' energy: -32.206
flat angles C4'-P-C4' energy: -43.149
flat angles P-C4'-P energy: -25.359
tors. eta vs tors. theta energy: -23.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -311.213043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.213043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.213043 (E_RNA)
where:
Base-Base interactions energy: -179.373
where: short stacking energy: -117.891
Base-Backbone interact. energy: 1.192
local terms energy: -133.031641
where:
bonds (distance) C4'-P energy: -35.888
bonds (distance) P-C4' energy: -44.414
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -838.153549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.153549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.153549 (E_RNA)
where:
Base-Base interactions energy: -590.817
where: short stacking energy: -232.808
Base-Backbone interact. energy: -1.110
local terms energy: -246.226343
where:
bonds (distance) C4'-P energy: -44.189
bonds (distance) P-C4' energy: -51.538
flat angles C4'-P-C4' energy: -48.253
flat angles P-C4'-P energy: -35.492
tors. eta vs tors. theta energy: -66.754
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: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -788.755758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.755758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.755758 (E_RNA)
where:
Base-Base interactions energy: -554.081
where: short stacking energy: -237.797
Base-Backbone interact. energy: -1.055
local terms energy: -233.619338
where:
bonds (distance) C4'-P energy: -43.439
bonds (distance) P-C4' energy: -41.077
flat angles C4'-P-C4' energy: -48.882
flat angles P-C4'-P energy: -38.653
tors. eta vs tors. theta energy: -61.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -816.971629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.971629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.971629 (E_RNA)
where:
Base-Base interactions energy: -577.648
where: short stacking energy: -245.105
Base-Backbone interact. energy: -0.054
local terms energy: -239.269777
where:
bonds (distance) C4'-P energy: -49.321
bonds (distance) P-C4' energy: -43.603
flat angles C4'-P-C4' energy: -46.033
flat angles P-C4'-P energy: -26.299
tors. eta vs tors. theta energy: -74.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -746.500852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.500852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.500852 (E_RNA)
where:
Base-Base interactions energy: -521.059
where: short stacking energy: -229.729
Base-Backbone interact. energy: -0.501
local terms energy: -224.940318
where:
bonds (distance) C4'-P energy: -39.800
bonds (distance) P-C4' energy: -30.681
flat angles C4'-P-C4' energy: -56.792
flat angles P-C4'-P energy: -34.387
tors. eta vs tors. theta energy: -63.279
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: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -731.268506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.268506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.268506 (E_RNA)
where:
Base-Base interactions energy: -490.671
where: short stacking energy: -213.290
Base-Backbone interact. energy: -1.333
local terms energy: -239.264242
where:
bonds (distance) C4'-P energy: -47.674
bonds (distance) P-C4' energy: -46.394
flat angles C4'-P-C4' energy: -45.733
flat angles P-C4'-P energy: -32.872
tors. eta vs tors. theta energy: -66.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -669.516133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.516133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.516133 (E_RNA)
where:
Base-Base interactions energy: -443.316
where: short stacking energy: -210.211
Base-Backbone interact. energy: -1.330
local terms energy: -224.870599
where:
bonds (distance) C4'-P energy: -42.598
bonds (distance) P-C4' energy: -41.965
flat angles C4'-P-C4' energy: -53.269
flat angles P-C4'-P energy: -31.508
tors. eta vs tors. theta energy: -55.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -652.952989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.952989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.952989 (E_RNA)
where:
Base-Base interactions energy: -437.435
where: short stacking energy: -192.734
Base-Backbone interact. energy: -2.306
local terms energy: -213.212294
where:
bonds (distance) C4'-P energy: -30.352
bonds (distance) P-C4' energy: -47.751
flat angles C4'-P-C4' energy: -49.948
flat angles P-C4'-P energy: -32.202
tors. eta vs tors. theta energy: -52.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -506.294819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.294819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.294819 (E_RNA)
where:
Base-Base interactions energy: -323.877
where: short stacking energy: -155.867
Base-Backbone interact. energy: -0.155
local terms energy: -182.262642
where:
bonds (distance) C4'-P energy: -36.080
bonds (distance) P-C4' energy: -42.298
flat angles C4'-P-C4' energy: -43.006
flat angles P-C4'-P energy: -25.860
tors. eta vs tors. theta energy: -35.019
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: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -403.665942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.665942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.665942 (E_RNA)
where:
Base-Base interactions energy: -240.319
where: short stacking energy: -121.592
Base-Backbone interact. energy: -0.930
local terms energy: -162.417857
where:
bonds (distance) C4'-P energy: -41.891
bonds (distance) P-C4' energy: -42.941
flat angles C4'-P-C4' energy: -31.626
flat angles P-C4'-P energy: -25.722
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -350.109502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.109502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.109502 (E_RNA)
where:
Base-Base interactions energy: -209.580
where: short stacking energy: -105.672
Base-Backbone interact. energy: -0.949
local terms energy: -139.580555
where:
bonds (distance) C4'-P energy: -28.137
bonds (distance) P-C4' energy: -34.580
flat angles C4'-P-C4' energy: -40.437
flat angles P-C4'-P energy: -26.327
tors. eta vs tors. theta energy: -10.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -849.182188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.182188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.182188 (E_RNA)
where:
Base-Base interactions energy: -596.503
where: short stacking energy: -235.869
Base-Backbone interact. energy: -1.018
local terms energy: -251.661823
where:
bonds (distance) C4'-P energy: -47.153
bonds (distance) P-C4' energy: -48.115
flat angles C4'-P-C4' energy: -54.398
flat angles P-C4'-P energy: -35.007
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: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -820.774262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.774262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.774262 (E_RNA)
where:
Base-Base interactions energy: -589.465
where: short stacking energy: -243.645
Base-Backbone interact. energy: 1.513
local terms energy: -232.823076
where:
bonds (distance) C4'-P energy: -42.045
bonds (distance) P-C4' energy: -31.799
flat angles C4'-P-C4' energy: -55.907
flat angles P-C4'-P energy: -29.331
tors. eta vs tors. theta energy: -73.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -763.407741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.407741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.407741 (E_RNA)
where:
Base-Base interactions energy: -535.982
where: short stacking energy: -224.830
Base-Backbone interact. energy: -0.120
local terms energy: -227.305904
where:
bonds (distance) C4'-P energy: -41.119
bonds (distance) P-C4' energy: -45.234
flat angles C4'-P-C4' energy: -47.300
flat angles P-C4'-P energy: -29.530
tors. eta vs tors. theta energy: -64.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -750.877012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.877012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.877012 (E_RNA)
where:
Base-Base interactions energy: -525.102
where: short stacking energy: -219.685
Base-Backbone interact. energy: -0.310
local terms energy: -225.464248
where:
bonds (distance) C4'-P energy: -43.549
bonds (distance) P-C4' energy: -42.387
flat angles C4'-P-C4' energy: -45.470
flat angles P-C4'-P energy: -27.582
tors. eta vs tors. theta energy: -66.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -728.870254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.870254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.870254 (E_RNA)
where:
Base-Base interactions energy: -496.179
where: short stacking energy: -210.100
Base-Backbone interact. energy: -0.777
local terms energy: -231.914549
where:
bonds (distance) C4'-P energy: -39.439
bonds (distance) P-C4' energy: -45.795
flat angles C4'-P-C4' energy: -53.841
flat angles P-C4'-P energy: -34.213
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: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -675.612563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.612563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.612563 (E_RNA)
where:
Base-Base interactions energy: -464.106
where: short stacking energy: -210.366
Base-Backbone interact. energy: -0.660
local terms energy: -210.846831
where:
bonds (distance) C4'-P energy: -35.879
bonds (distance) P-C4' energy: -37.773
flat angles C4'-P-C4' energy: -48.125
flat angles P-C4'-P energy: -33.522
tors. eta vs tors. theta energy: -55.548
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: 7, replica: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -635.084146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.084146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.084146 (E_RNA)
where:
Base-Base interactions energy: -438.069
where: short stacking energy: -187.481
Base-Backbone interact. energy: -1.030
local terms energy: -195.985263
where:
bonds (distance) C4'-P energy: -43.471
bonds (distance) P-C4' energy: -41.436
flat angles C4'-P-C4' energy: -37.579
flat angles P-C4'-P energy: -29.354
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: 2
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -488.483998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.483998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.483998 (E_RNA)
where:
Base-Base interactions energy: -311.988
where: short stacking energy: -144.728
Base-Backbone interact. energy: 0.507
local terms energy: -177.002836
where:
bonds (distance) C4'-P energy: -41.978
bonds (distance) P-C4' energy: -37.178
flat angles C4'-P-C4' energy: -37.267
flat angles P-C4'-P energy: -34.082
tors. eta vs tors. theta energy: -26.498
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: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -405.187832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.187832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.187832 (E_RNA)
where:
Base-Base interactions energy: -240.385
where: short stacking energy: -121.071
Base-Backbone interact. energy: 5.248
local terms energy: -170.050829
where:
bonds (distance) C4'-P energy: -41.298
bonds (distance) P-C4' energy: -44.752
flat angles C4'-P-C4' energy: -37.268
flat angles P-C4'-P energy: -24.117
tors. eta vs tors. theta energy: -22.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -302.871068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.871068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.871068 (E_RNA)
where:
Base-Base interactions energy: -179.485
where: short stacking energy: -95.561
Base-Backbone interact. energy: 3.348
local terms energy: -126.734259
where:
bonds (distance) C4'-P energy: -32.933
bonds (distance) P-C4' energy: -42.562
flat angles C4'-P-C4' energy: -32.509
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -2.635
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: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -853.803152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.803152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.803152 (E_RNA)
where:
Base-Base interactions energy: -602.139
where: short stacking energy: -249.249
Base-Backbone interact. energy: -0.724
local terms energy: -250.940426
where:
bonds (distance) C4'-P energy: -48.552
bonds (distance) P-C4' energy: -45.174
flat angles C4'-P-C4' energy: -50.566
flat angles P-C4'-P energy: -37.245
tors. eta vs tors. theta energy: -69.402
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: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -833.576622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.576622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.576622 (E_RNA)
where:
Base-Base interactions energy: -585.226
where: short stacking energy: -258.798
Base-Backbone interact. energy: -0.047
local terms energy: -248.303102
where:
bonds (distance) C4'-P energy: -45.777
bonds (distance) P-C4' energy: -45.921
flat angles C4'-P-C4' energy: -51.886
flat angles P-C4'-P energy: -31.580
tors. eta vs tors. theta energy: -73.139
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: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -766.688258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.688258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.688258 (E_RNA)
where:
Base-Base interactions energy: -543.679
where: short stacking energy: -222.999
Base-Backbone interact. energy: -0.780
local terms energy: -222.228735
where:
bonds (distance) C4'-P energy: -33.050
bonds (distance) P-C4' energy: -42.827
flat angles C4'-P-C4' energy: -46.463
flat angles P-C4'-P energy: -36.098
tors. eta vs tors. theta energy: -63.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -766.945542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.945542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.945542 (E_RNA)
where:
Base-Base interactions energy: -533.438
where: short stacking energy: -218.872
Base-Backbone interact. energy: -0.977
local terms energy: -232.529888
where:
bonds (distance) C4'-P energy: -46.228
bonds (distance) P-C4' energy: -40.510
flat angles C4'-P-C4' energy: -49.156
flat angles P-C4'-P energy: -31.601
tors. eta vs tors. theta energy: -65.036
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: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -715.249034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.249034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.249034 (E_RNA)
where:
Base-Base interactions energy: -506.726
where: short stacking energy: -203.241
Base-Backbone interact. energy: -0.304
local terms energy: -208.218720
where:
bonds (distance) C4'-P energy: -41.057
bonds (distance) P-C4' energy: -34.751
flat angles C4'-P-C4' energy: -51.690
flat angles P-C4'-P energy: -28.627
tors. eta vs tors. theta energy: -52.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -673.100594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.100594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.100594 (E_RNA)
where:
Base-Base interactions energy: -455.180
where: short stacking energy: -198.556
Base-Backbone interact. energy: -1.651
local terms energy: -216.269241
where:
bonds (distance) C4'-P energy: -48.937
bonds (distance) P-C4' energy: -37.010
flat angles C4'-P-C4' energy: -44.680
flat angles P-C4'-P energy: -28.600
tors. eta vs tors. theta energy: -57.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -611.010467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.010467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.010467 (E_RNA)
where:
Base-Base interactions energy: -416.804
where: short stacking energy: -175.844
Base-Backbone interact. energy: -1.440
local terms energy: -192.765908
where:
bonds (distance) C4'-P energy: -22.717
bonds (distance) P-C4' energy: -47.698
flat angles C4'-P-C4' energy: -44.698
flat angles P-C4'-P energy: -30.994
tors. eta vs tors. theta energy: -46.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -557.288911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.288911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.288911 (E_RNA)
where:
Base-Base interactions energy: -364.864
where: short stacking energy: -168.289
Base-Backbone interact. energy: -0.251
local terms energy: -192.174343
where:
bonds (distance) C4'-P energy: -37.901
bonds (distance) P-C4' energy: -41.012
flat angles C4'-P-C4' energy: -38.820
flat angles P-C4'-P energy: -29.995
tors. eta vs tors. theta energy: -44.446
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: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -322.881055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.881055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.881055 (E_RNA)
where:
Base-Base interactions energy: -181.166
where: short stacking energy: -85.730
Base-Backbone interact. energy: 0.994
local terms energy: -142.709069
where:
bonds (distance) C4'-P energy: -33.637
bonds (distance) P-C4' energy: -47.224
flat angles C4'-P-C4' energy: -30.706
flat angles P-C4'-P energy: -24.466
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -386.805390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.805390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.805390 (E_RNA)
where:
Base-Base interactions energy: -228.300
where: short stacking energy: -120.248
Base-Backbone interact. energy: 4.000
local terms energy: -162.505649
where:
bonds (distance) C4'-P energy: -32.058
bonds (distance) P-C4' energy: -45.548
flat angles C4'-P-C4' energy: -41.010
flat angles P-C4'-P energy: -24.811
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -854.445566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.445566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.445566 (E_RNA)
where:
Base-Base interactions energy: -588.769
where: short stacking energy: -242.094
Base-Backbone interact. energy: -0.718
local terms energy: -264.958337
where:
bonds (distance) C4'-P energy: -41.528
bonds (distance) P-C4' energy: -57.328
flat angles C4'-P-C4' energy: -58.684
flat angles P-C4'-P energy: -37.335
tors. eta vs tors. theta energy: -70.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -818.696769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.696769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.696769 (E_RNA)
where:
Base-Base interactions energy: -565.318
where: short stacking energy: -248.168
Base-Backbone interact. energy: -1.158
local terms energy: -252.221598
where:
bonds (distance) C4'-P energy: -50.800
bonds (distance) P-C4' energy: -49.043
flat angles C4'-P-C4' energy: -50.221
flat angles P-C4'-P energy: -29.884
tors. eta vs tors. theta energy: -72.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -784.463540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.463540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.463540 (E_RNA)
where:
Base-Base interactions energy: -544.353
where: short stacking energy: -233.819
Base-Backbone interact. energy: -0.172
local terms energy: -239.938182
where:
bonds (distance) C4'-P energy: -47.100
bonds (distance) P-C4' energy: -44.977
flat angles C4'-P-C4' energy: -48.420
flat angles P-C4'-P energy: -33.406
tors. eta vs tors. theta energy: -66.035
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: 4, replica: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -747.422782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.422782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.422782 (E_RNA)
where:
Base-Base interactions energy: -531.594
where: short stacking energy: -216.834
Base-Backbone interact. energy: -0.872
local terms energy: -214.956153
where:
bonds (distance) C4'-P energy: -39.668
bonds (distance) P-C4' energy: -39.873
flat angles C4'-P-C4' energy: -50.858
flat angles P-C4'-P energy: -27.862
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: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -693.531572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.531572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.531572 (E_RNA)
where:
Base-Base interactions energy: -479.812
where: short stacking energy: -209.344
Base-Backbone interact. energy: -0.044
local terms energy: -213.676424
where:
bonds (distance) C4'-P energy: -31.900
bonds (distance) P-C4' energy: -47.462
flat angles C4'-P-C4' energy: -46.118
flat angles P-C4'-P energy: -32.857
tors. eta vs tors. theta energy: -55.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -682.669279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.669279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.669279 (E_RNA)
where:
Base-Base interactions energy: -492.624
where: short stacking energy: -221.553
Base-Backbone interact. energy: -0.893
local terms energy: -189.151918
where:
bonds (distance) C4'-P energy: -33.023
bonds (distance) P-C4' energy: -42.947
flat angles C4'-P-C4' energy: -36.940
flat angles P-C4'-P energy: -20.058
tors. eta vs tors. theta energy: -56.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -597.104124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.104124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.104124 (E_RNA)
where:
Base-Base interactions energy: -402.061
where: short stacking energy: -170.539
Base-Backbone interact. energy: -0.949
local terms energy: -194.094792
where:
bonds (distance) C4'-P energy: -39.996
bonds (distance) P-C4' energy: -46.629
flat angles C4'-P-C4' energy: -47.227
flat angles P-C4'-P energy: -21.620
tors. eta vs tors. theta energy: -38.623
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: 2
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -559.391871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.391871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.391871 (E_RNA)
where:
Base-Base interactions energy: -369.258
where: short stacking energy: -160.606
Base-Backbone interact. energy: -1.404
local terms energy: -188.730261
where:
bonds (distance) C4'-P energy: -30.229
bonds (distance) P-C4' energy: -47.753
flat angles C4'-P-C4' energy: -46.534
flat angles P-C4'-P energy: -28.918
tors. eta vs tors. theta energy: -35.296
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: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -314.685347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.685347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.685347 (E_RNA)
where:
Base-Base interactions energy: -166.329
where: short stacking energy: -102.581
Base-Backbone interact. energy: -0.239
local terms energy: -148.117181
where:
bonds (distance) C4'-P energy: -31.388
bonds (distance) P-C4' energy: -42.019
flat angles C4'-P-C4' energy: -44.026
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -262.746368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.746368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.746368 (E_RNA)
where:
Base-Base interactions energy: -121.938
where: short stacking energy: -74.476
Base-Backbone interact. energy: -0.700
local terms energy: -140.108440
where:
bonds (distance) C4'-P energy: -28.167
bonds (distance) P-C4' energy: -51.831
flat angles C4'-P-C4' energy: -32.437
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -10.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -833.127652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.127652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.127652 (E_RNA)
where:
Base-Base interactions energy: -581.910
where: short stacking energy: -245.889
Base-Backbone interact. energy: -0.829
local terms energy: -250.389423
where:
bonds (distance) C4'-P energy: -46.487
bonds (distance) P-C4' energy: -51.512
flat angles C4'-P-C4' energy: -51.626
flat angles P-C4'-P energy: -31.340
tors. eta vs tors. theta energy: -69.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -839.737689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.737689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.737689 (E_RNA)
where:
Base-Base interactions energy: -586.915
where: short stacking energy: -259.458
Base-Backbone interact. energy: -1.033
local terms energy: -251.789928
where:
bonds (distance) C4'-P energy: -47.348
bonds (distance) P-C4' energy: -46.266
flat angles C4'-P-C4' energy: -51.823
flat angles P-C4'-P energy: -34.759
tors. eta vs tors. theta energy: -71.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -780.803101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.803101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.803101 (E_RNA)
where:
Base-Base interactions energy: -534.086
where: short stacking energy: -220.807
Base-Backbone interact. energy: -1.127
local terms energy: -245.590434
where:
bonds (distance) C4'-P energy: -39.550
bonds (distance) P-C4' energy: -46.960
flat angles C4'-P-C4' energy: -50.884
flat angles P-C4'-P energy: -37.684
tors. eta vs tors. theta energy: -70.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -737.222274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.222274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.222274 (E_RNA)
where:
Base-Base interactions energy: -512.655
where: short stacking energy: -224.285
Base-Backbone interact. energy: -1.273
local terms energy: -223.294169
where:
bonds (distance) C4'-P energy: -45.242
bonds (distance) P-C4' energy: -43.209
flat angles C4'-P-C4' energy: -51.322
flat angles P-C4'-P energy: -26.447
tors. eta vs tors. theta energy: -57.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -721.514937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.514937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.514937 (E_RNA)
where:
Base-Base interactions energy: -495.159
where: short stacking energy: -225.328
Base-Backbone interact. energy: -1.262
local terms energy: -225.094561
where:
bonds (distance) C4'-P energy: -46.027
bonds (distance) P-C4' energy: -41.713
flat angles C4'-P-C4' energy: -50.970
flat angles P-C4'-P energy: -30.080
tors. eta vs tors. theta energy: -56.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -692.660417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.660417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.660417 (E_RNA)
where:
Base-Base interactions energy: -493.181
where: short stacking energy: -201.807
Base-Backbone interact. energy: 4.092
local terms energy: -203.571091
where:
bonds (distance) C4'-P energy: -41.567
bonds (distance) P-C4' energy: -40.902
flat angles C4'-P-C4' energy: -43.598
flat angles P-C4'-P energy: -27.918
tors. eta vs tors. theta energy: -49.586
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: 7, replica: 7
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -591.578082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.578082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.578082 (E_RNA)
where:
Base-Base interactions energy: -384.275
where: short stacking energy: -144.417
Base-Backbone interact. energy: -1.760
local terms energy: -205.542679
where:
bonds (distance) C4'-P energy: -46.544
bonds (distance) P-C4' energy: -47.110
flat angles C4'-P-C4' energy: -41.833
flat angles P-C4'-P energy: -29.178
tors. eta vs tors. theta energy: -40.877
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: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -498.810109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.810109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.810109 (E_RNA)
where:
Base-Base interactions energy: -314.485
where: short stacking energy: -132.293
Base-Backbone interact. energy: 0.054
local terms energy: -184.379556
where:
bonds (distance) C4'-P energy: -42.740
bonds (distance) P-C4' energy: -46.390
flat angles C4'-P-C4' energy: -38.567
flat angles P-C4'-P energy: -31.067
tors. eta vs tors. theta energy: -25.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -311.583002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.583002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.583002 (E_RNA)
where:
Base-Base interactions energy: -174.003
where: short stacking energy: -105.531
Base-Backbone interact. energy: 3.174
local terms energy: -140.754274
where:
bonds (distance) C4'-P energy: -40.861
bonds (distance) P-C4' energy: -39.121
flat angles C4'-P-C4' energy: -40.176
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -367.258411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.258411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.258411 (E_RNA)
where:
Base-Base interactions energy: -211.133
where: short stacking energy: -110.898
Base-Backbone interact. energy: -0.902
local terms energy: -155.223511
where:
bonds (distance) C4'-P energy: -41.372
bonds (distance) P-C4' energy: -43.226
flat angles C4'-P-C4' energy: -30.114
flat angles P-C4'-P energy: -22.745
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -848.464582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.464582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.464582 (E_RNA)
where:
Base-Base interactions energy: -587.757
where: short stacking energy: -246.516
Base-Backbone interact. energy: -1.151
local terms energy: -259.556726
where:
bonds (distance) C4'-P energy: -49.780
bonds (distance) P-C4' energy: -49.557
flat angles C4'-P-C4' energy: -49.077
flat angles P-C4'-P energy: -37.694
tors. eta vs tors. theta energy: -73.448
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: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -836.148140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.148140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.148140 (E_RNA)
where:
Base-Base interactions energy: -600.921
where: short stacking energy: -244.195
Base-Backbone interact. energy: -1.742
local terms energy: -233.485837
where:
bonds (distance) C4'-P energy: -42.030
bonds (distance) P-C4' energy: -48.758
flat angles C4'-P-C4' energy: -44.468
flat angles P-C4'-P energy: -33.022
tors. eta vs tors. theta energy: -65.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -776.303165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.303165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.303165 (E_RNA)
where:
Base-Base interactions energy: -531.530
where: short stacking energy: -221.257
Base-Backbone interact. energy: -0.176
local terms energy: -244.596475
where:
bonds (distance) C4'-P energy: -47.529
bonds (distance) P-C4' energy: -45.654
flat angles C4'-P-C4' energy: -48.870
flat angles P-C4'-P energy: -30.793
tors. eta vs tors. theta energy: -71.751
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: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -744.049522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.049522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.049522 (E_RNA)
where:
Base-Base interactions energy: -498.335
where: short stacking energy: -215.484
Base-Backbone interact. energy: -1.341
local terms energy: -244.373231
where:
bonds (distance) C4'-P energy: -43.771
bonds (distance) P-C4' energy: -49.765
flat angles C4'-P-C4' energy: -50.159
flat angles P-C4'-P energy: -34.272
tors. eta vs tors. theta energy: -66.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -699.495820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.495820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.495820 (E_RNA)
where:
Base-Base interactions energy: -454.099
where: short stacking energy: -197.860
Base-Backbone interact. energy: -0.189
local terms energy: -245.208002
where:
bonds (distance) C4'-P energy: -49.916
bonds (distance) P-C4' energy: -47.019
flat angles C4'-P-C4' energy: -55.047
flat angles P-C4'-P energy: -38.915
tors. eta vs tors. theta energy: -54.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -697.156111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.156111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.156111 (E_RNA)
where:
Base-Base interactions energy: -471.473
where: short stacking energy: -192.570
Base-Backbone interact. energy: -1.150
local terms energy: -224.533697
where:
bonds (distance) C4'-P energy: -48.044
bonds (distance) P-C4' energy: -42.986
flat angles C4'-P-C4' energy: -47.399
flat angles P-C4'-P energy: -34.019
tors. eta vs tors. theta energy: -52.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -609.789549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.789549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.789549 (E_RNA)
where:
Base-Base interactions energy: -405.085
where: short stacking energy: -172.177
Base-Backbone interact. energy: -1.355
local terms energy: -203.349542
where:
bonds (distance) C4'-P energy: -35.887
bonds (distance) P-C4' energy: -47.623
flat angles C4'-P-C4' energy: -45.321
flat angles P-C4'-P energy: -28.945
tors. eta vs tors. theta energy: -45.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -540.602316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.602316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.602316 (E_RNA)
where:
Base-Base interactions energy: -344.184
where: short stacking energy: -152.722
Base-Backbone interact. energy: -0.530
local terms energy: -195.888004
where:
bonds (distance) C4'-P energy: -48.453
bonds (distance) P-C4' energy: -38.229
flat angles C4'-P-C4' energy: -45.394
flat angles P-C4'-P energy: -28.284
tors. eta vs tors. theta energy: -35.528
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: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -322.047987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.047987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.047987 (E_RNA)
where:
Base-Base interactions energy: -175.935
where: short stacking energy: -111.944
Base-Backbone interact. energy: -0.540
local terms energy: -145.573273
where:
bonds (distance) C4'-P energy: -30.979
bonds (distance) P-C4' energy: -37.530
flat angles C4'-P-C4' energy: -41.953
flat angles P-C4'-P energy: -20.257
tors. eta vs tors. theta energy: -14.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -363.669066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.669066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.669066 (E_RNA)
where:
Base-Base interactions energy: -215.996
where: short stacking energy: -94.443
Base-Backbone interact. energy: -0.918
local terms energy: -146.755080
where:
bonds (distance) C4'-P energy: -34.022
bonds (distance) P-C4' energy: -37.206
flat angles C4'-P-C4' energy: -34.234
flat angles P-C4'-P energy: -29.755
tors. eta vs tors. theta energy: -11.538
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: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -850.641230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.641230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.641230 (E_RNA)
where:
Base-Base interactions energy: -606.384
where: short stacking energy: -244.259
Base-Backbone interact. energy: -1.102
local terms energy: -243.155006
where:
bonds (distance) C4'-P energy: -44.918
bonds (distance) P-C4' energy: -45.778
flat angles C4'-P-C4' energy: -51.818
flat angles P-C4'-P energy: -30.983
tors. eta vs tors. theta energy: -69.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -831.608781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.608781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.608781 (E_RNA)
where:
Base-Base interactions energy: -587.276
where: short stacking energy: -235.122
Base-Backbone interact. energy: -0.372
local terms energy: -243.961052
where:
bonds (distance) C4'-P energy: -44.835
bonds (distance) P-C4' energy: -43.137
flat angles C4'-P-C4' energy: -50.190
flat angles P-C4'-P energy: -41.904
tors. eta vs tors. theta energy: -63.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -757.094364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.094364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.094364 (E_RNA)
where:
Base-Base interactions energy: -517.962
where: short stacking energy: -209.053
Base-Backbone interact. energy: -2.525
local terms energy: -236.607073
where:
bonds (distance) C4'-P energy: -35.598
bonds (distance) P-C4' energy: -53.799
flat angles C4'-P-C4' energy: -47.489
flat angles P-C4'-P energy: -34.538
tors. eta vs tors. theta energy: -65.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -731.373489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.373489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.373489 (E_RNA)
where:
Base-Base interactions energy: -501.256
where: short stacking energy: -225.641
Base-Backbone interact. energy: -0.780
local terms energy: -229.336899
where:
bonds (distance) C4'-P energy: -44.189
bonds (distance) P-C4' energy: -51.317
flat angles C4'-P-C4' energy: -42.828
flat angles P-C4'-P energy: -29.488
tors. eta vs tors. theta energy: -61.515
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: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -710.992807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.992807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.992807 (E_RNA)
where:
Base-Base interactions energy: -479.792
where: short stacking energy: -205.826
Base-Backbone interact. energy: -0.291
local terms energy: -230.909913
where:
bonds (distance) C4'-P energy: -43.921
bonds (distance) P-C4' energy: -43.664
flat angles C4'-P-C4' energy: -47.034
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -60.176
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: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -694.782951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.782951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.782951 (E_RNA)
where:
Base-Base interactions energy: -484.425
where: short stacking energy: -210.151
Base-Backbone interact. energy: -0.364
local terms energy: -209.993396
where:
bonds (distance) C4'-P energy: -39.223
bonds (distance) P-C4' energy: -36.885
flat angles C4'-P-C4' energy: -46.067
flat angles P-C4'-P energy: -26.574
tors. eta vs tors. theta energy: -61.244
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: 7
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -625.917237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.917237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.917237 (E_RNA)
where:
Base-Base interactions energy: -425.284
where: short stacking energy: -177.789
Base-Backbone interact. energy: -1.289
local terms energy: -199.344272
where:
bonds (distance) C4'-P energy: -46.329
bonds (distance) P-C4' energy: -36.927
flat angles C4'-P-C4' energy: -44.604
flat angles P-C4'-P energy: -26.891
tors. eta vs tors. theta energy: -44.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -537.584636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.584636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.584636 (E_RNA)
where:
Base-Base interactions energy: -371.387
where: short stacking energy: -159.830
Base-Backbone interact. energy: 2.109
local terms energy: -168.306323
where:
bonds (distance) C4'-P energy: -31.971
bonds (distance) P-C4' energy: -40.567
flat angles C4'-P-C4' energy: -39.775
flat angles P-C4'-P energy: -25.182
tors. eta vs tors. theta energy: -30.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -321.644236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.644236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.644236 (E_RNA)
where:
Base-Base interactions energy: -172.046
where: short stacking energy: -97.162
Base-Backbone interact. energy: 0.292
local terms energy: -149.890020
where:
bonds (distance) C4'-P energy: -37.933
bonds (distance) P-C4' energy: -41.997
flat angles C4'-P-C4' energy: -48.640
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -7.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -318.474806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.474806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.474806 (E_RNA)
where:
Base-Base interactions energy: -174.136
where: short stacking energy: -96.496
Base-Backbone interact. energy: 5.526
local terms energy: -149.864823
where:
bonds (distance) C4'-P energy: -36.099
bonds (distance) P-C4' energy: -44.850
flat angles C4'-P-C4' energy: -34.089
flat angles P-C4'-P energy: -27.108
tors. eta vs tors. theta energy: -7.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -846.558012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.558012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.558012 (E_RNA)
where:
Base-Base interactions energy: -575.949
where: short stacking energy: -255.500
Base-Backbone interact. energy: 0.376
local terms energy: -270.985215
where:
bonds (distance) C4'-P energy: -50.387
bonds (distance) P-C4' energy: -50.939
flat angles C4'-P-C4' energy: -52.549
flat angles P-C4'-P energy: -36.274
tors. eta vs tors. theta energy: -80.835
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: 2, replica: 8
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -822.983427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.983427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.983427 (E_RNA)
where:
Base-Base interactions energy: -565.858
where: short stacking energy: -224.774
Base-Backbone interact. energy: -0.890
local terms energy: -256.234610
where:
bonds (distance) C4'-P energy: -51.650
bonds (distance) P-C4' energy: -48.766
flat angles C4'-P-C4' energy: -54.028
flat angles P-C4'-P energy: -39.935
tors. eta vs tors. theta energy: -61.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -773.437370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.437370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.437370 (E_RNA)
where:
Base-Base interactions energy: -543.284
where: short stacking energy: -236.373
Base-Backbone interact. energy: -0.194
local terms energy: -229.959654
where:
bonds (distance) C4'-P energy: -45.223
bonds (distance) P-C4' energy: -43.775
flat angles C4'-P-C4' energy: -48.659
flat angles P-C4'-P energy: -29.309
tors. eta vs tors. theta energy: -62.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -765.621767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.621767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.621767 (E_RNA)
where:
Base-Base interactions energy: -537.537
where: short stacking energy: -220.691
Base-Backbone interact. energy: -0.010
local terms energy: -228.074842
where:
bonds (distance) C4'-P energy: -45.671
bonds (distance) P-C4' energy: -48.446
flat angles C4'-P-C4' energy: -50.251
flat angles P-C4'-P energy: -26.052
tors. eta vs tors. theta energy: -57.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -723.070417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.070417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.070417 (E_RNA)
where:
Base-Base interactions energy: -499.425
where: short stacking energy: -223.717
Base-Backbone interact. energy: -1.426
local terms energy: -222.219638
where:
bonds (distance) C4'-P energy: -48.622
bonds (distance) P-C4' energy: -42.834
flat angles C4'-P-C4' energy: -45.828
flat angles P-C4'-P energy: -31.665
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: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -677.760210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.760210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.760210 (E_RNA)
where:
Base-Base interactions energy: -468.650
where: short stacking energy: -195.364
Base-Backbone interact. energy: -0.815
local terms energy: -208.295151
where:
bonds (distance) C4'-P energy: -29.218
bonds (distance) P-C4' energy: -43.701
flat angles C4'-P-C4' energy: -53.404
flat angles P-C4'-P energy: -28.425
tors. eta vs tors. theta energy: -53.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -618.207741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.207741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.207741 (E_RNA)
where:
Base-Base interactions energy: -420.924
where: short stacking energy: -182.310
Base-Backbone interact. energy: -0.300
local terms energy: -196.984365
where:
bonds (distance) C4'-P energy: -42.898
bonds (distance) P-C4' energy: -36.255
flat angles C4'-P-C4' energy: -42.959
flat angles P-C4'-P energy: -23.893
tors. eta vs tors. theta energy: -50.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -538.835353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.835353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.835353 (E_RNA)
where:
Base-Base interactions energy: -344.743
where: short stacking energy: -165.806
Base-Backbone interact. energy: 0.240
local terms energy: -194.332107
where:
bonds (distance) C4'-P energy: -35.991
bonds (distance) P-C4' energy: -46.489
flat angles C4'-P-C4' energy: -41.313
flat angles P-C4'-P energy: -27.754
tors. eta vs tors. theta energy: -42.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -335.400824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.400824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.400824 (E_RNA)
where:
Base-Base interactions energy: -173.511
where: short stacking energy: -100.039
Base-Backbone interact. energy: 0.618
local terms energy: -162.507718
where:
bonds (distance) C4'-P energy: -41.702
bonds (distance) P-C4' energy: -42.341
flat angles C4'-P-C4' energy: -41.879
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -19.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -313.841085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.841085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.841085 (E_RNA)
where:
Base-Base interactions energy: -181.329
where: short stacking energy: -103.885
Base-Backbone interact. energy: 2.889
local terms energy: -135.400843
where:
bonds (distance) C4'-P energy: -33.312
bonds (distance) P-C4' energy: -41.542
flat angles C4'-P-C4' energy: -29.362
flat angles P-C4'-P energy: -22.311
tors. eta vs tors. theta energy: -8.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -843.007139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.007139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.007139 (E_RNA)
where:
Base-Base interactions energy: -579.619
where: short stacking energy: -245.830
Base-Backbone interact. energy: -0.210
local terms energy: -263.178660
where:
bonds (distance) C4'-P energy: -51.647
bonds (distance) P-C4' energy: -44.161
flat angles C4'-P-C4' energy: -59.119
flat angles P-C4'-P energy: -35.817
tors. eta vs tors. theta energy: -72.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -823.109074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.109074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.109074 (E_RNA)
where:
Base-Base interactions energy: -571.016
where: short stacking energy: -230.966
Base-Backbone interact. energy: -1.260
local terms energy: -250.833574
where:
bonds (distance) C4'-P energy: -45.622
bonds (distance) P-C4' energy: -50.177
flat angles C4'-P-C4' energy: -49.271
flat angles P-C4'-P energy: -37.891
tors. eta vs tors. theta energy: -67.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -774.749043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.749043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.749043 (E_RNA)
where:
Base-Base interactions energy: -533.075
where: short stacking energy: -223.475
Base-Backbone interact. energy: -0.250
local terms energy: -241.423334
where:
bonds (distance) C4'-P energy: -48.939
bonds (distance) P-C4' energy: -40.021
flat angles C4'-P-C4' energy: -44.895
flat angles P-C4'-P energy: -39.027
tors. eta vs tors. theta energy: -68.541
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: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -763.411554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.411554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.411554 (E_RNA)
where:
Base-Base interactions energy: -537.074
where: short stacking energy: -246.767
Base-Backbone interact. energy: 4.715
local terms energy: -231.052876
where:
bonds (distance) C4'-P energy: -41.709
bonds (distance) P-C4' energy: -40.352
flat angles C4'-P-C4' energy: -45.972
flat angles P-C4'-P energy: -32.259
tors. eta vs tors. theta energy: -70.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -696.725347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.725347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.725347 (E_RNA)
where:
Base-Base interactions energy: -480.458
where: short stacking energy: -199.934
Base-Backbone interact. energy: -0.536
local terms energy: -215.731394
where:
bonds (distance) C4'-P energy: -42.227
bonds (distance) P-C4' energy: -36.701
flat angles C4'-P-C4' energy: -49.894
flat angles P-C4'-P energy: -34.935
tors. eta vs tors. theta energy: -51.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -671.482978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.482978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.482978 (E_RNA)
where:
Base-Base interactions energy: -465.471
where: short stacking energy: -197.740
Base-Backbone interact. energy: 1.322
local terms energy: -207.334425
where:
bonds (distance) C4'-P energy: -31.317
bonds (distance) P-C4' energy: -39.552
flat angles C4'-P-C4' energy: -47.513
flat angles P-C4'-P energy: -29.528
tors. eta vs tors. theta energy: -59.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -606.911977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.911977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.911977 (E_RNA)
where:
Base-Base interactions energy: -405.115
where: short stacking energy: -187.746
Base-Backbone interact. energy: -0.752
local terms energy: -201.044466
where:
bonds (distance) C4'-P energy: -43.589
bonds (distance) P-C4' energy: -39.682
flat angles C4'-P-C4' energy: -42.135
flat angles P-C4'-P energy: -33.189
tors. eta vs tors. theta energy: -42.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -548.371198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.371198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.371198 (E_RNA)
where:
Base-Base interactions energy: -358.229
where: short stacking energy: -163.903
Base-Backbone interact. energy: -1.113
local terms energy: -189.029156
where:
bonds (distance) C4'-P energy: -39.142
bonds (distance) P-C4' energy: -41.841
flat angles C4'-P-C4' energy: -42.618
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -40.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -342.496179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.496179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.496179 (E_RNA)
where:
Base-Base interactions energy: -175.997
where: short stacking energy: -103.843
Base-Backbone interact. energy: 0.327
local terms energy: -166.825722
where:
bonds (distance) C4'-P energy: -41.777
bonds (distance) P-C4' energy: -46.991
flat angles C4'-P-C4' energy: -42.010
flat angles P-C4'-P energy: -24.639
tors. eta vs tors. theta energy: -11.409
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: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -307.900810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.900810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.900810 (E_RNA)
where:
Base-Base interactions energy: -158.684
where: short stacking energy: -98.770
Base-Backbone interact. energy: -0.843
local terms energy: -148.373693
where:
bonds (distance) C4'-P energy: -25.279
bonds (distance) P-C4' energy: -47.365
flat angles C4'-P-C4' energy: -41.034
flat angles P-C4'-P energy: -25.461
tors. eta vs tors. theta energy: -9.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -842.024608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.024608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.024608 (E_RNA)
where:
Base-Base interactions energy: -593.139
where: short stacking energy: -252.981
Base-Backbone interact. energy: 0.770
local terms energy: -249.655929
where:
bonds (distance) C4'-P energy: -31.308
bonds (distance) P-C4' energy: -54.229
flat angles C4'-P-C4' energy: -52.841
flat angles P-C4'-P energy: -35.667
tors. eta vs tors. theta energy: -75.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -841.422030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.422030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.422030 (E_RNA)
where:
Base-Base interactions energy: -594.630
where: short stacking energy: -241.920
Base-Backbone interact. energy: -1.131
local terms energy: -245.660497
where:
bonds (distance) C4'-P energy: -50.355
bonds (distance) P-C4' energy: -38.764
flat angles C4'-P-C4' energy: -53.480
flat angles P-C4'-P energy: -35.801
tors. eta vs tors. theta energy: -67.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -753.196982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.196982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.196982 (E_RNA)
where:
Base-Base interactions energy: -539.888
where: short stacking energy: -236.386
Base-Backbone interact. energy: -0.167
local terms energy: -213.141339
where:
bonds (distance) C4'-P energy: -35.142
bonds (distance) P-C4' energy: -40.814
flat angles C4'-P-C4' energy: -37.950
flat angles P-C4'-P energy: -34.364
tors. eta vs tors. theta energy: -64.871
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: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -766.979801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.979801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.979801 (E_RNA)
where:
Base-Base interactions energy: -537.581
where: short stacking energy: -207.163
Base-Backbone interact. energy: -1.952
local terms energy: -227.446736
where:
bonds (distance) C4'-P energy: -43.138
bonds (distance) P-C4' energy: -36.559
flat angles C4'-P-C4' energy: -53.326
flat angles P-C4'-P energy: -35.014
tors. eta vs tors. theta energy: -59.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -696.792428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.792428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.792428 (E_RNA)
where:
Base-Base interactions energy: -484.467
where: short stacking energy: -211.901
Base-Backbone interact. energy: 1.084
local terms energy: -213.409358
where:
bonds (distance) C4'-P energy: -42.884
bonds (distance) P-C4' energy: -34.639
flat angles C4'-P-C4' energy: -49.112
flat angles P-C4'-P energy: -29.111
tors. eta vs tors. theta energy: -57.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -675.970349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.970349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.970349 (E_RNA)
where:
Base-Base interactions energy: -465.128
where: short stacking energy: -184.947
Base-Backbone interact. energy: -0.880
local terms energy: -209.962863
where:
bonds (distance) C4'-P energy: -40.341
bonds (distance) P-C4' energy: -40.261
flat angles C4'-P-C4' energy: -49.671
flat angles P-C4'-P energy: -33.277
tors. eta vs tors. theta energy: -46.412
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: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -580.909227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.909227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.909227 (E_RNA)
where:
Base-Base interactions energy: -381.218
where: short stacking energy: -163.958
Base-Backbone interact. energy: -0.638
local terms energy: -199.052701
where:
bonds (distance) C4'-P energy: -43.176
bonds (distance) P-C4' energy: -39.373
flat angles C4'-P-C4' energy: -39.840
flat angles P-C4'-P energy: -34.090
tors. eta vs tors. theta energy: -42.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -575.076867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.076867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.076867 (E_RNA)
where:
Base-Base interactions energy: -384.914
where: short stacking energy: -183.836
Base-Backbone interact. energy: -1.519
local terms energy: -188.644356
where:
bonds (distance) C4'-P energy: -41.543
bonds (distance) P-C4' energy: -28.086
flat angles C4'-P-C4' energy: -43.910
flat angles P-C4'-P energy: -27.398
tors. eta vs tors. theta energy: -47.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -327.721832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.721832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.721832 (E_RNA)
where:
Base-Base interactions energy: -165.174
where: short stacking energy: -103.158
Base-Backbone interact. energy: 2.029
local terms energy: -164.577198
where:
bonds (distance) C4'-P energy: -41.974
bonds (distance) P-C4' energy: -42.119
flat angles C4'-P-C4' energy: -33.992
flat angles P-C4'-P energy: -28.558
tors. eta vs tors. theta energy: -17.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -335.108049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.108049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.108049 (E_RNA)
where:
Base-Base interactions energy: -182.861
where: short stacking energy: -89.115
Base-Backbone interact. energy: -0.508
local terms energy: -151.739482
where:
bonds (distance) C4'-P energy: -45.454
bonds (distance) P-C4' energy: -31.581
flat angles C4'-P-C4' energy: -36.159
flat angles P-C4'-P energy: -25.102
tors. eta vs tors. theta energy: -13.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -830.417248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.417248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.417248 (E_RNA)
where:
Base-Base interactions energy: -569.856
where: short stacking energy: -253.586
Base-Backbone interact. energy: -0.816
local terms energy: -259.745830
where:
bonds (distance) C4'-P energy: -44.375
bonds (distance) P-C4' energy: -44.629
flat angles C4'-P-C4' energy: -57.355
flat angles P-C4'-P energy: -39.143
tors. eta vs tors. theta energy: -74.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -841.181971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.181971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.181971 (E_RNA)
where:
Base-Base interactions energy: -591.131
where: short stacking energy: -254.772
Base-Backbone interact. energy: -0.869
local terms energy: -249.181422
where:
bonds (distance) C4'-P energy: -43.456
bonds (distance) P-C4' energy: -44.964
flat angles C4'-P-C4' energy: -53.349
flat angles P-C4'-P energy: -34.488
tors. eta vs tors. theta energy: -72.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -794.179459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.179459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.179459 (E_RNA)
where:
Base-Base interactions energy: -573.176
where: short stacking energy: -229.219
Base-Backbone interact. energy: 1.830
local terms energy: -222.833550
where:
bonds (distance) C4'-P energy: -38.615
bonds (distance) P-C4' energy: -37.580
flat angles C4'-P-C4' energy: -46.763
flat angles P-C4'-P energy: -34.594
tors. eta vs tors. theta energy: -65.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -758.805761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.805761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.805761 (E_RNA)
where:
Base-Base interactions energy: -511.089
where: short stacking energy: -205.860
Base-Backbone interact. energy: -1.621
local terms energy: -246.095978
where:
bonds (distance) C4'-P energy: -45.141
bonds (distance) P-C4' energy: -42.013
flat angles C4'-P-C4' energy: -55.755
flat angles P-C4'-P energy: -37.281
tors. eta vs tors. theta energy: -65.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -685.353747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.353747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.353747 (E_RNA)
where:
Base-Base interactions energy: -476.450
where: short stacking energy: -198.670
Base-Backbone interact. energy: -1.855
local terms energy: -207.048672
where:
bonds (distance) C4'-P energy: -41.879
bonds (distance) P-C4' energy: -42.315
flat angles C4'-P-C4' energy: -44.715
flat angles P-C4'-P energy: -25.462
tors. eta vs tors. theta energy: -52.678
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: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -684.107554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.107554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.107554 (E_RNA)
where:
Base-Base interactions energy: -480.954
where: short stacking energy: -199.899
Base-Backbone interact. energy: 0.073
local terms energy: -203.226068
where:
bonds (distance) C4'-P energy: -45.691
bonds (distance) P-C4' energy: -44.647
flat angles C4'-P-C4' energy: -39.554
flat angles P-C4'-P energy: -24.310
tors. eta vs tors. theta energy: -49.024
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: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -617.258228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.258228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.258228 (E_RNA)
where:
Base-Base interactions energy: -426.631
where: short stacking energy: -177.292
Base-Backbone interact. energy: 0.249
local terms energy: -190.875868
where:
bonds (distance) C4'-P energy: -35.545
bonds (distance) P-C4' energy: -37.307
flat angles C4'-P-C4' energy: -52.538
flat angles P-C4'-P energy: -23.391
tors. eta vs tors. theta energy: -42.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -549.569312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.569312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.569312 (E_RNA)
where:
Base-Base interactions energy: -352.945
where: short stacking energy: -176.267
Base-Backbone interact. energy: -0.808
local terms energy: -195.816001
where:
bonds (distance) C4'-P energy: -39.847
bonds (distance) P-C4' energy: -38.768
flat angles C4'-P-C4' energy: -40.886
flat angles P-C4'-P energy: -35.150
tors. eta vs tors. theta energy: -41.166
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: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -322.892708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.892708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.892708 (E_RNA)
where:
Base-Base interactions energy: -165.062
where: short stacking energy: -87.617
Base-Backbone interact. energy: -0.408
local terms energy: -157.423203
where:
bonds (distance) C4'-P energy: -38.996
bonds (distance) P-C4' energy: -41.313
flat angles C4'-P-C4' energy: -43.478
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -8.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -313.258200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.258200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.258200 (E_RNA)
where:
Base-Base interactions energy: -160.918
where: short stacking energy: -90.834
Base-Backbone interact. energy: 0.133
local terms energy: -152.473248
where:
bonds (distance) C4'-P energy: -43.858
bonds (distance) P-C4' energy: -49.067
flat angles C4'-P-C4' energy: -25.681
flat angles P-C4'-P energy: -24.816
tors. eta vs tors. theta energy: -9.051
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: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -848.951260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.951260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.951260 (E_RNA)
where:
Base-Base interactions energy: -586.858
where: short stacking energy: -255.903
Base-Backbone interact. energy: -1.122
local terms energy: -260.971067
where:
bonds (distance) C4'-P energy: -46.568
bonds (distance) P-C4' energy: -43.855
flat angles C4'-P-C4' energy: -55.176
flat angles P-C4'-P energy: -39.601
tors. eta vs tors. theta energy: -75.771
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: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -800.700249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.700249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.700249 (E_RNA)
where:
Base-Base interactions energy: -556.892
where: short stacking energy: -219.594
Base-Backbone interact. energy: -2.359
local terms energy: -241.449160
where:
bonds (distance) C4'-P energy: -45.285
bonds (distance) P-C4' energy: -45.067
flat angles C4'-P-C4' energy: -43.771
flat angles P-C4'-P energy: -41.298
tors. eta vs tors. theta energy: -66.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -814.381021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.381021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.381021 (E_RNA)
where:
Base-Base interactions energy: -570.264
where: short stacking energy: -245.932
Base-Backbone interact. energy: -1.393
local terms energy: -242.723297
where:
bonds (distance) C4'-P energy: -50.417
bonds (distance) P-C4' energy: -42.826
flat angles C4'-P-C4' energy: -51.733
flat angles P-C4'-P energy: -31.741
tors. eta vs tors. theta energy: -66.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -755.422474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.422474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.422474 (E_RNA)
where:
Base-Base interactions energy: -515.572
where: short stacking energy: -220.965
Base-Backbone interact. energy: 0.156
local terms energy: -240.006495
where:
bonds (distance) C4'-P energy: -45.094
bonds (distance) P-C4' energy: -41.982
flat angles C4'-P-C4' energy: -52.645
flat angles P-C4'-P energy: -35.076
tors. eta vs tors. theta energy: -65.210
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: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -701.125398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.125398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.125398 (E_RNA)
where:
Base-Base interactions energy: -478.989
where: short stacking energy: -204.564
Base-Backbone interact. energy: -1.960
local terms energy: -220.176084
where:
bonds (distance) C4'-P energy: -43.967
bonds (distance) P-C4' energy: -44.184
flat angles C4'-P-C4' energy: -45.887
flat angles P-C4'-P energy: -34.682
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: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -715.457314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.457314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.457314 (E_RNA)
where:
Base-Base interactions energy: -504.432
where: short stacking energy: -216.569
Base-Backbone interact. energy: -0.172
local terms energy: -210.853143
where:
bonds (distance) C4'-P energy: -35.784
bonds (distance) P-C4' energy: -41.196
flat angles C4'-P-C4' energy: -44.200
flat angles P-C4'-P energy: -23.274
tors. eta vs tors. theta energy: -66.400
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: 7, replica: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -633.887395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.887395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.887395 (E_RNA)
where:
Base-Base interactions energy: -446.169
where: short stacking energy: -204.060
Base-Backbone interact. energy: 0.834
local terms energy: -188.552240
where:
bonds (distance) C4'-P energy: -36.160
bonds (distance) P-C4' energy: -28.007
flat angles C4'-P-C4' energy: -38.496
flat angles P-C4'-P energy: -32.427
tors. eta vs tors. theta energy: -53.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -552.645529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.645529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.645529 (E_RNA)
where:
Base-Base interactions energy: -367.005
where: short stacking energy: -171.715
Base-Backbone interact. energy: -0.009
local terms energy: -185.630962
where:
bonds (distance) C4'-P energy: -39.103
bonds (distance) P-C4' energy: -40.966
flat angles C4'-P-C4' energy: -41.982
flat angles P-C4'-P energy: -21.849
tors. eta vs tors. theta energy: -41.730
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: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -340.585194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.585194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.585194 (E_RNA)
where:
Base-Base interactions energy: -181.488
where: short stacking energy: -114.470
Base-Backbone interact. energy: -1.359
local terms energy: -157.738800
where:
bonds (distance) C4'-P energy: -38.699
bonds (distance) P-C4' energy: -38.209
flat angles C4'-P-C4' energy: -43.202
flat angles P-C4'-P energy: -21.730
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: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -298.506127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.506127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.506127 (E_RNA)
where:
Base-Base interactions energy: -154.043
where: short stacking energy: -83.314
Base-Backbone interact. energy: 0.190
local terms energy: -144.652198
where:
bonds (distance) C4'-P energy: -37.229
bonds (distance) P-C4' energy: -41.346
flat angles C4'-P-C4' energy: -36.405
flat angles P-C4'-P energy: -23.218
tors. eta vs tors. theta energy: -6.454
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: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -838.054846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.054846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.054846 (E_RNA)
where:
Base-Base interactions energy: -596.038
where: short stacking energy: -264.380
Base-Backbone interact. energy: 0.714
local terms energy: -242.731179
where:
bonds (distance) C4'-P energy: -40.724
bonds (distance) P-C4' energy: -37.305
flat angles C4'-P-C4' energy: -55.724
flat angles P-C4'-P energy: -36.695
tors. eta vs tors. theta energy: -72.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -784.619908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.619908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.619908 (E_RNA)
where:
Base-Base interactions energy: -547.983
where: short stacking energy: -235.803
Base-Backbone interact. energy: -1.722
local terms energy: -234.914971
where:
bonds (distance) C4'-P energy: -42.060
bonds (distance) P-C4' energy: -43.790
flat angles C4'-P-C4' energy: -50.503
flat angles P-C4'-P energy: -31.870
tors. eta vs tors. theta energy: -66.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -825.346175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.346175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.346175 (E_RNA)
where:
Base-Base interactions energy: -586.715
where: short stacking energy: -248.321
Base-Backbone interact. energy: -2.358
local terms energy: -236.273574
where:
bonds (distance) C4'-P energy: -39.556
bonds (distance) P-C4' energy: -45.228
flat angles C4'-P-C4' energy: -47.478
flat angles P-C4'-P energy: -33.433
tors. eta vs tors. theta energy: -70.578
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: 382
Temperature: 1.050000
Total energy: -758.098579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.098579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.098579 (E_RNA)
where:
Base-Base interactions energy: -532.680
where: short stacking energy: -219.246
Base-Backbone interact. energy: 3.904
local terms energy: -229.322092
where:
bonds (distance) C4'-P energy: -40.513
bonds (distance) P-C4' energy: -48.753
flat angles C4'-P-C4' energy: -48.280
flat angles P-C4'-P energy: -29.450
tors. eta vs tors. theta energy: -62.326
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: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -725.418684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.418684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.418684 (E_RNA)
where:
Base-Base interactions energy: -504.892
where: short stacking energy: -209.016
Base-Backbone interact. energy: 0.609
local terms energy: -221.135187
where:
bonds (distance) C4'-P energy: -31.945
bonds (distance) P-C4' energy: -47.219
flat angles C4'-P-C4' energy: -51.745
flat angles P-C4'-P energy: -29.989
tors. eta vs tors. theta energy: -60.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -713.811851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.811851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.811851 (E_RNA)
where:
Base-Base interactions energy: -487.578
where: short stacking energy: -206.571
Base-Backbone interact. energy: 0.202
local terms energy: -226.436074
where:
bonds (distance) C4'-P energy: -38.835
bonds (distance) P-C4' energy: -48.777
flat angles C4'-P-C4' energy: -53.901
flat angles P-C4'-P energy: -29.024
tors. eta vs tors. theta energy: -55.898
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: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -643.989405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.989405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.989405 (E_RNA)
where:
Base-Base interactions energy: -444.954
where: short stacking energy: -188.070
Base-Backbone interact. energy: -0.953
local terms energy: -198.082595
where:
bonds (distance) C4'-P energy: -37.451
bonds (distance) P-C4' energy: -41.514
flat angles C4'-P-C4' energy: -46.789
flat angles P-C4'-P energy: -19.853
tors. eta vs tors. theta energy: -52.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -522.258766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.258766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.258766 (E_RNA)
where:
Base-Base interactions energy: -352.807
where: short stacking energy: -163.859
Base-Backbone interact. energy: 1.075
local terms energy: -170.527037
where:
bonds (distance) C4'-P energy: -37.500
bonds (distance) P-C4' energy: -39.548
flat angles C4'-P-C4' energy: -40.862
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -37.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -335.439905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.439905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.439905 (E_RNA)
where:
Base-Base interactions energy: -180.350
where: short stacking energy: -108.519
Base-Backbone interact. energy: -2.110
local terms energy: -152.980095
where:
bonds (distance) C4'-P energy: -40.560
bonds (distance) P-C4' energy: -42.849
flat angles C4'-P-C4' energy: -38.423
flat angles P-C4'-P energy: -20.649
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -299.104797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.104797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.104797 (E_RNA)
where:
Base-Base interactions energy: -149.071
where: short stacking energy: -89.599
Base-Backbone interact. energy: -0.354
local terms energy: -149.679300
where:
bonds (distance) C4'-P energy: -42.514
bonds (distance) P-C4' energy: -44.096
flat angles C4'-P-C4' energy: -27.691
flat angles P-C4'-P energy: -24.887
tors. eta vs tors. theta energy: -10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -847.897350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.897350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.897350 (E_RNA)
where:
Base-Base interactions energy: -579.807
where: short stacking energy: -259.585
Base-Backbone interact. energy: -0.368
local terms energy: -267.722234
where:
bonds (distance) C4'-P energy: -47.158
bonds (distance) P-C4' energy: -47.189
flat angles C4'-P-C4' energy: -55.040
flat angles P-C4'-P energy: -39.370
tors. eta vs tors. theta energy: -78.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -831.634431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.634431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.634431 (E_RNA)
where:
Base-Base interactions energy: -594.555
where: short stacking energy: -237.636
Base-Backbone interact. energy: -1.029
local terms energy: -236.050324
where:
bonds (distance) C4'-P energy: -41.378
bonds (distance) P-C4' energy: -40.392
flat angles C4'-P-C4' energy: -52.073
flat angles P-C4'-P energy: -38.917
tors. eta vs tors. theta energy: -63.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -777.740199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.740199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.740199 (E_RNA)
where:
Base-Base interactions energy: -546.895
where: short stacking energy: -228.139
Base-Backbone interact. energy: -0.665
local terms energy: -230.180710
where:
bonds (distance) C4'-P energy: -47.506
bonds (distance) P-C4' energy: -43.681
flat angles C4'-P-C4' energy: -49.297
flat angles P-C4'-P energy: -24.097
tors. eta vs tors. theta energy: -65.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -758.349129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.349129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.349129 (E_RNA)
where:
Base-Base interactions energy: -527.884
where: short stacking energy: -227.259
Base-Backbone interact. energy: -0.880
local terms energy: -229.585343
where:
bonds (distance) C4'-P energy: -47.723
bonds (distance) P-C4' energy: -41.251
flat angles C4'-P-C4' energy: -49.003
flat angles P-C4'-P energy: -25.590
tors. eta vs tors. theta energy: -66.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -748.371086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.371086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.371086 (E_RNA)
where:
Base-Base interactions energy: -512.232
where: short stacking energy: -221.045
Base-Backbone interact. energy: -1.317
local terms energy: -234.821898
where:
bonds (distance) C4'-P energy: -46.098
bonds (distance) P-C4' energy: -43.933
flat angles C4'-P-C4' energy: -49.774
flat angles P-C4'-P energy: -27.498
tors. eta vs tors. theta energy: -67.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -665.289025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.289025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.289025 (E_RNA)
where:
Base-Base interactions energy: -457.322
where: short stacking energy: -200.314
Base-Backbone interact. energy: -0.603
local terms energy: -207.364308
where:
bonds (distance) C4'-P energy: -41.491
bonds (distance) P-C4' energy: -28.777
flat angles C4'-P-C4' energy: -44.615
flat angles P-C4'-P energy: -36.229
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: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -636.069935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.069935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.069935 (E_RNA)
where:
Base-Base interactions energy: -428.132
where: short stacking energy: -184.989
Base-Backbone interact. energy: -1.445
local terms energy: -206.493112
where:
bonds (distance) C4'-P energy: -43.717
bonds (distance) P-C4' energy: -45.085
flat angles C4'-P-C4' energy: -44.101
flat angles P-C4'-P energy: -21.880
tors. eta vs tors. theta energy: -51.710
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: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -527.967652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.967652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.967652 (E_RNA)
where:
Base-Base interactions energy: -345.161
where: short stacking energy: -155.621
Base-Backbone interact. energy: 0.536
local terms energy: -183.342303
where:
bonds (distance) C4'-P energy: -45.750
bonds (distance) P-C4' energy: -44.025
flat angles C4'-P-C4' energy: -32.821
flat angles P-C4'-P energy: -23.356
tors. eta vs tors. theta energy: -37.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -303.200504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.200504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.200504 (E_RNA)
where:
Base-Base interactions energy: -146.672
where: short stacking energy: -85.244
Base-Backbone interact. energy: 0.847
local terms energy: -157.375400
where:
bonds (distance) C4'-P energy: -43.962
bonds (distance) P-C4' energy: -41.971
flat angles C4'-P-C4' energy: -38.532
flat angles P-C4'-P energy: -23.539
tors. eta vs tors. theta energy: -9.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -299.429991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.429991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.429991 (E_RNA)
where:
Base-Base interactions energy: -154.384
where: short stacking energy: -87.522
Base-Backbone interact. energy: 0.749
local terms energy: -145.794772
where:
bonds (distance) C4'-P energy: -31.542
bonds (distance) P-C4' energy: -43.197
flat angles C4'-P-C4' energy: -42.486
flat angles P-C4'-P energy: -26.052
tors. eta vs tors. theta energy: -2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -852.177317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.177317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.177317 (E_RNA)
where:
Base-Base interactions energy: -590.947
where: short stacking energy: -244.428
Base-Backbone interact. energy: 0.488
local terms energy: -261.718488
where:
bonds (distance) C4'-P energy: -54.115
bonds (distance) P-C4' energy: -48.506
flat angles C4'-P-C4' energy: -54.839
flat angles P-C4'-P energy: -27.859
tors. eta vs tors. theta energy: -76.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -842.653220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.653220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.653220 (E_RNA)
where:
Base-Base interactions energy: -599.510
where: short stacking energy: -243.938
Base-Backbone interact. energy: -1.736
local terms energy: -241.407194
where:
bonds (distance) C4'-P energy: -46.635
bonds (distance) P-C4' energy: -49.064
flat angles C4'-P-C4' energy: -45.527
flat angles P-C4'-P energy: -32.199
tors. eta vs tors. theta energy: -67.981
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: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -772.847260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.847260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.847260 (E_RNA)
where:
Base-Base interactions energy: -540.860
where: short stacking energy: -223.252
Base-Backbone interact. energy: -0.573
local terms energy: -231.413997
where:
bonds (distance) C4'-P energy: -46.619
bonds (distance) P-C4' energy: -39.761
flat angles C4'-P-C4' energy: -54.840
flat angles P-C4'-P energy: -27.068
tors. eta vs tors. theta energy: -63.125
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: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -770.554985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.554985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.554985 (E_RNA)
where:
Base-Base interactions energy: -520.938
where: short stacking energy: -229.571
Base-Backbone interact. energy: -0.373
local terms energy: -249.243722
where:
bonds (distance) C4'-P energy: -42.578
bonds (distance) P-C4' energy: -46.262
flat angles C4'-P-C4' energy: -53.257
flat angles P-C4'-P energy: -42.235
tors. eta vs tors. theta energy: -64.912
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: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -709.224638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.224638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.224638 (E_RNA)
where:
Base-Base interactions energy: -499.150
where: short stacking energy: -219.304
Base-Backbone interact. energy: 0.641
local terms energy: -210.715707
where:
bonds (distance) C4'-P energy: -44.653
bonds (distance) P-C4' energy: -37.115
flat angles C4'-P-C4' energy: -51.785
flat angles P-C4'-P energy: -23.463
tors. eta vs tors. theta energy: -53.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -673.239070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.239070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.239070 (E_RNA)
where:
Base-Base interactions energy: -458.522
where: short stacking energy: -204.713
Base-Backbone interact. energy: -0.073
local terms energy: -214.643982
where:
bonds (distance) C4'-P energy: -36.036
bonds (distance) P-C4' energy: -48.547
flat angles C4'-P-C4' energy: -44.332
flat angles P-C4'-P energy: -28.873
tors. eta vs tors. theta energy: -56.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -587.690422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.690422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.690422 (E_RNA)
where:
Base-Base interactions energy: -389.133
where: short stacking energy: -159.089
Base-Backbone interact. energy: -0.453
local terms energy: -198.103658
where:
bonds (distance) C4'-P energy: -42.900
bonds (distance) P-C4' energy: -42.945
flat angles C4'-P-C4' energy: -47.795
flat angles P-C4'-P energy: -23.514
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: 2
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -567.094853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.094853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.094853 (E_RNA)
where:
Base-Base interactions energy: -381.412
where: short stacking energy: -174.966
Base-Backbone interact. energy: -0.688
local terms energy: -184.995355
where:
bonds (distance) C4'-P energy: -35.948
bonds (distance) P-C4' energy: -37.433
flat angles C4'-P-C4' energy: -45.746
flat angles P-C4'-P energy: -25.338
tors. eta vs tors. theta energy: -40.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -333.015870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.015870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.015870 (E_RNA)
where:
Base-Base interactions energy: -171.839
where: short stacking energy: -79.700
Base-Backbone interact. energy: -0.667
local terms energy: -160.509132
where:
bonds (distance) C4'-P energy: -46.229
bonds (distance) P-C4' energy: -44.940
flat angles C4'-P-C4' energy: -37.892
flat angles P-C4'-P energy: -26.066
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -303.951845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.951845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.951845 (E_RNA)
where:
Base-Base interactions energy: -157.880
where: short stacking energy: -96.780
Base-Backbone interact. energy: -0.123
local terms energy: -145.949133
where:
bonds (distance) C4'-P energy: -37.127
bonds (distance) P-C4' energy: -50.280
flat angles C4'-P-C4' energy: -28.413
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -12.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -847.815234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.815234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.815234 (E_RNA)
where:
Base-Base interactions energy: -583.620
where: short stacking energy: -245.866
Base-Backbone interact. energy: -0.334
local terms energy: -263.861836
where:
bonds (distance) C4'-P energy: -51.993
bonds (distance) P-C4' energy: -49.034
flat angles C4'-P-C4' energy: -55.201
flat angles P-C4'-P energy: -34.560
tors. eta vs tors. theta energy: -73.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -847.096444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.096444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.096444 (E_RNA)
where:
Base-Base interactions energy: -601.785
where: short stacking energy: -245.750
Base-Backbone interact. energy: -0.950
local terms energy: -244.362040
where:
bonds (distance) C4'-P energy: -47.943
bonds (distance) P-C4' energy: -53.174
flat angles C4'-P-C4' energy: -47.314
flat angles P-C4'-P energy: -28.395
tors. eta vs tors. theta energy: -67.536
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: 6
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -790.914736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.914736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.914736 (E_RNA)
where:
Base-Base interactions energy: -561.992
where: short stacking energy: -221.967
Base-Backbone interact. energy: -0.250
local terms energy: -228.673098
where:
bonds (distance) C4'-P energy: -39.753
bonds (distance) P-C4' energy: -41.011
flat angles C4'-P-C4' energy: -48.499
flat angles P-C4'-P energy: -36.848
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: 4, replica: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -782.835695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.835695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.835695 (E_RNA)
where:
Base-Base interactions energy: -549.378
where: short stacking energy: -241.113
Base-Backbone interact. energy: 2.404
local terms energy: -235.861635
where:
bonds (distance) C4'-P energy: -45.786
bonds (distance) P-C4' energy: -45.602
flat angles C4'-P-C4' energy: -47.186
flat angles P-C4'-P energy: -32.111
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: 5, replica: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -700.029227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.029227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.029227 (E_RNA)
where:
Base-Base interactions energy: -481.354
where: short stacking energy: -213.260
Base-Backbone interact. energy: -1.738
local terms energy: -216.937773
where:
bonds (distance) C4'-P energy: -37.424
bonds (distance) P-C4' energy: -36.383
flat angles C4'-P-C4' energy: -49.424
flat angles P-C4'-P energy: -36.024
tors. eta vs tors. theta energy: -57.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -679.747403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.747403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.747403 (E_RNA)
where:
Base-Base interactions energy: -462.399
where: short stacking energy: -196.972
Base-Backbone interact. energy: -0.783
local terms energy: -216.565389
where:
bonds (distance) C4'-P energy: -39.726
bonds (distance) P-C4' energy: -43.916
flat angles C4'-P-C4' energy: -43.424
flat angles P-C4'-P energy: -28.700
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: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -601.040049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.040049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.040049 (E_RNA)
where:
Base-Base interactions energy: -415.231
where: short stacking energy: -176.908
Base-Backbone interact. energy: -1.484
local terms energy: -184.324729
where:
bonds (distance) C4'-P energy: -37.214
bonds (distance) P-C4' energy: -39.313
flat angles C4'-P-C4' energy: -38.815
flat angles P-C4'-P energy: -25.694
tors. eta vs tors. theta energy: -43.289
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: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -435.532455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.532455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.532455 (E_RNA)
where:
Base-Base interactions energy: -282.069
where: short stacking energy: -141.208
Base-Backbone interact. energy: 2.746
local terms energy: -156.208795
where:
bonds (distance) C4'-P energy: -32.708
bonds (distance) P-C4' energy: -38.874
flat angles C4'-P-C4' energy: -44.522
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: -19.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -556.641525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.641525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.641525 (E_RNA)
where:
Base-Base interactions energy: -357.030
where: short stacking energy: -177.808
Base-Backbone interact. energy: -0.439
local terms energy: -199.173245
where:
bonds (distance) C4'-P energy: -39.084
bonds (distance) P-C4' energy: -42.056
flat angles C4'-P-C4' energy: -38.716
flat angles P-C4'-P energy: -36.554
tors. eta vs tors. theta energy: -42.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -324.753948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.753948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.753948 (E_RNA)
where:
Base-Base interactions energy: -167.522
where: short stacking energy: -93.689
Base-Backbone interact. energy: 0.799
local terms energy: -158.030948
where:
bonds (distance) C4'-P energy: -41.488
bonds (distance) P-C4' energy: -42.041
flat angles C4'-P-C4' energy: -42.563
flat angles P-C4'-P energy: -19.403
tors. eta vs tors. theta energy: -12.535
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: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -855.309893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.309893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.309893 (E_RNA)
where:
Base-Base interactions energy: -583.133
where: short stacking energy: -260.884
Base-Backbone interact. energy: -1.381
local terms energy: -270.796374
where:
bonds (distance) C4'-P energy: -51.851
bonds (distance) P-C4' energy: -52.233
flat angles C4'-P-C4' energy: -48.816
flat angles P-C4'-P energy: -39.165
tors. eta vs tors. theta energy: -78.731
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: 2, replica: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -835.019661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.019661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.019661 (E_RNA)
where:
Base-Base interactions energy: -586.850
where: short stacking energy: -243.900
Base-Backbone interact. energy: -1.752
local terms energy: -246.418001
where:
bonds (distance) C4'-P energy: -40.068
bonds (distance) P-C4' energy: -44.915
flat angles C4'-P-C4' energy: -49.463
flat angles P-C4'-P energy: -41.354
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: 3, replica: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -792.153001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.153001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.153001 (E_RNA)
where:
Base-Base interactions energy: -561.925
where: short stacking energy: -232.861
Base-Backbone interact. energy: -2.385
local terms energy: -227.843047
where:
bonds (distance) C4'-P energy: -40.959
bonds (distance) P-C4' energy: -37.175
flat angles C4'-P-C4' energy: -53.626
flat angles P-C4'-P energy: -36.265
tors. eta vs tors. theta energy: -59.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -756.390236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.390236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.390236 (E_RNA)
where:
Base-Base interactions energy: -531.740
where: short stacking energy: -216.793
Base-Backbone interact. energy: -0.617
local terms energy: -224.033136
where:
bonds (distance) C4'-P energy: -41.439
bonds (distance) P-C4' energy: -34.571
flat angles C4'-P-C4' energy: -46.680
flat angles P-C4'-P energy: -35.551
tors. eta vs tors. theta energy: -65.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -732.261608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.261608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.261608 (E_RNA)
where:
Base-Base interactions energy: -502.123
where: short stacking energy: -217.737
Base-Backbone interact. energy: -1.463
local terms energy: -228.675357
where:
bonds (distance) C4'-P energy: -43.061
bonds (distance) P-C4' energy: -44.048
flat angles C4'-P-C4' energy: -47.626
flat angles P-C4'-P energy: -27.340
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: 6, replica: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -710.813628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.813628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.813628 (E_RNA)
where:
Base-Base interactions energy: -476.948
where: short stacking energy: -200.954
Base-Backbone interact. energy: -0.975
local terms energy: -232.890070
where:
bonds (distance) C4'-P energy: -43.813
bonds (distance) P-C4' energy: -55.628
flat angles C4'-P-C4' energy: -53.254
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: -56.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -621.553036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.553036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.553036 (E_RNA)
where:
Base-Base interactions energy: -428.529
where: short stacking energy: -178.425
Base-Backbone interact. energy: -0.953
local terms energy: -192.070998
where:
bonds (distance) C4'-P energy: -34.669
bonds (distance) P-C4' energy: -32.158
flat angles C4'-P-C4' energy: -46.639
flat angles P-C4'-P energy: -37.375
tors. eta vs tors. theta energy: -41.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -411.760437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.760437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.760437 (E_RNA)
where:
Base-Base interactions energy: -259.052
where: short stacking energy: -136.731
Base-Backbone interact. energy: 3.039
local terms energy: -155.746796
where:
bonds (distance) C4'-P energy: -26.882
bonds (distance) P-C4' energy: -40.896
flat angles C4'-P-C4' energy: -43.901
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -22.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -518.681120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.681120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.681120 (E_RNA)
where:
Base-Base interactions energy: -340.729
where: short stacking energy: -152.347
Base-Backbone interact. energy: 2.202
local terms energy: -180.153547
where:
bonds (distance) C4'-P energy: -33.671
bonds (distance) P-C4' energy: -43.924
flat angles C4'-P-C4' energy: -34.580
flat angles P-C4'-P energy: -32.203
tors. eta vs tors. theta energy: -35.776
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: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -283.696597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.696597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.696597 (E_RNA)
where:
Base-Base interactions energy: -135.699
where: short stacking energy: -82.514
Base-Backbone interact. energy: 1.215
local terms energy: -149.212539
where:
bonds (distance) C4'-P energy: -43.843
bonds (distance) P-C4' energy: -40.038
flat angles C4'-P-C4' energy: -38.590
flat angles P-C4'-P energy: -21.958
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -852.490454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.490454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.490454 (E_RNA)
where:
Base-Base interactions energy: -593.434
where: short stacking energy: -264.137
Base-Backbone interact. energy: 0.119
local terms energy: -259.175646
where:
bonds (distance) C4'-P energy: -49.744
bonds (distance) P-C4' energy: -48.059
flat angles C4'-P-C4' energy: -47.365
flat angles P-C4'-P energy: -36.857
tors. eta vs tors. theta energy: -77.151
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: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -827.811560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.811560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.811560 (E_RNA)
where:
Base-Base interactions energy: -587.131
where: short stacking energy: -232.887
Base-Backbone interact. energy: -0.939
local terms energy: -239.741501
where:
bonds (distance) C4'-P energy: -46.396
bonds (distance) P-C4' energy: -41.686
flat angles C4'-P-C4' energy: -53.896
flat angles P-C4'-P energy: -35.879
tors. eta vs tors. theta energy: -61.885
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: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -778.995693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.995693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.995693 (E_RNA)
where:
Base-Base interactions energy: -555.441
where: short stacking energy: -226.115
Base-Backbone interact. energy: -2.204
local terms energy: -221.351318
where:
bonds (distance) C4'-P energy: -44.755
bonds (distance) P-C4' energy: -43.094
flat angles C4'-P-C4' energy: -40.106
flat angles P-C4'-P energy: -29.043
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: 4, replica: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -729.863776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.863776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.863776 (E_RNA)
where:
Base-Base interactions energy: -510.398
where: short stacking energy: -221.365
Base-Backbone interact. energy: -0.646
local terms energy: -218.819015
where:
bonds (distance) C4'-P energy: -35.697
bonds (distance) P-C4' energy: -37.698
flat angles C4'-P-C4' energy: -47.678
flat angles P-C4'-P energy: -36.309
tors. eta vs tors. theta energy: -61.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -753.988150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.988150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.988150 (E_RNA)
where:
Base-Base interactions energy: -539.106
where: short stacking energy: -216.036
Base-Backbone interact. energy: -1.111
local terms energy: -213.771769
where:
bonds (distance) C4'-P energy: -39.355
bonds (distance) P-C4' energy: -41.289
flat angles C4'-P-C4' energy: -44.166
flat angles P-C4'-P energy: -22.726
tors. eta vs tors. theta energy: -66.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -697.903716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.903716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.903716 (E_RNA)
where:
Base-Base interactions energy: -482.741
where: short stacking energy: -210.103
Base-Backbone interact. energy: 0.006
local terms energy: -215.168729
where:
bonds (distance) C4'-P energy: -29.979
bonds (distance) P-C4' energy: -41.038
flat angles C4'-P-C4' energy: -54.769
flat angles P-C4'-P energy: -32.639
tors. eta vs tors. theta energy: -56.744
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: 7
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -624.117663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.117663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.117663 (E_RNA)
where:
Base-Base interactions energy: -428.765
where: short stacking energy: -175.700
Base-Backbone interact. energy: -1.369
local terms energy: -193.984204
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -47.931
flat angles C4'-P-C4' energy: -35.445
flat angles P-C4'-P energy: -36.669
tors. eta vs tors. theta energy: -50.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -437.476252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.476252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.476252 (E_RNA)
where:
Base-Base interactions energy: -266.621
where: short stacking energy: -145.429
Base-Backbone interact. energy: 5.605
local terms energy: -176.460006
where:
bonds (distance) C4'-P energy: -37.355
bonds (distance) P-C4' energy: -37.381
flat angles C4'-P-C4' energy: -42.237
flat angles P-C4'-P energy: -28.026
tors. eta vs tors. theta energy: -31.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -440.273799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.273799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.273799 (E_RNA)
where:
Base-Base interactions energy: -275.721
where: short stacking energy: -132.287
Base-Backbone interact. energy: 0.728
local terms energy: -165.281015
where:
bonds (distance) C4'-P energy: -32.632
bonds (distance) P-C4' energy: -39.057
flat angles C4'-P-C4' energy: -35.069
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -27.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -274.546500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.546500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.546500 (E_RNA)
where:
Base-Base interactions energy: -133.846
where: short stacking energy: -82.276
Base-Backbone interact. energy: -0.415
local terms energy: -140.285344
where:
bonds (distance) C4'-P energy: -45.231
bonds (distance) P-C4' energy: -31.623
flat angles C4'-P-C4' energy: -39.580
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -8.494
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: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -856.350504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.350504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.350504 (E_RNA)
where:
Base-Base interactions energy: -583.527
where: short stacking energy: -253.146
Base-Backbone interact. energy: -2.108
local terms energy: -270.715908
where:
bonds (distance) C4'-P energy: -53.392
bonds (distance) P-C4' energy: -47.489
flat angles C4'-P-C4' energy: -54.890
flat angles P-C4'-P energy: -38.147
tors. eta vs tors. theta energy: -76.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -842.844522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.844522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.844522 (E_RNA)
where:
Base-Base interactions energy: -590.820
where: short stacking energy: -231.677
Base-Backbone interact. energy: -1.291
local terms energy: -250.733540
where:
bonds (distance) C4'-P energy: -45.574
bonds (distance) P-C4' energy: -43.770
flat angles C4'-P-C4' energy: -56.565
flat angles P-C4'-P energy: -40.274
tors. eta vs tors. theta energy: -64.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -777.432413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.432413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.432413 (E_RNA)
where:
Base-Base interactions energy: -544.537
where: short stacking energy: -219.056
Base-Backbone interact. energy: -2.028
local terms energy: -230.867210
where:
bonds (distance) C4'-P energy: -42.350
bonds (distance) P-C4' energy: -53.967
flat angles C4'-P-C4' energy: -40.067
flat angles P-C4'-P energy: -31.370
tors. eta vs tors. theta energy: -63.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -749.019842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.019842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.019842 (E_RNA)
where:
Base-Base interactions energy: -514.309
where: short stacking energy: -219.505
Base-Backbone interact. energy: -0.468
local terms energy: -234.242872
where:
bonds (distance) C4'-P energy: -44.051
bonds (distance) P-C4' energy: -46.380
flat angles C4'-P-C4' energy: -53.994
flat angles P-C4'-P energy: -37.218
tors. eta vs tors. theta energy: -52.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -742.674950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.674950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.674950 (E_RNA)
where:
Base-Base interactions energy: -520.823
where: short stacking energy: -209.336
Base-Backbone interact. energy: -1.468
local terms energy: -220.383680
where:
bonds (distance) C4'-P energy: -37.379
bonds (distance) P-C4' energy: -44.495
flat angles C4'-P-C4' energy: -48.653
flat angles P-C4'-P energy: -28.260
tors. eta vs tors. theta energy: -61.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -686.141320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.141320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.141320 (E_RNA)
where:
Base-Base interactions energy: -463.937
where: short stacking energy: -216.074
Base-Backbone interact. energy: -0.183
local terms energy: -222.021254
where:
bonds (distance) C4'-P energy: -41.524
bonds (distance) P-C4' energy: -38.757
flat angles C4'-P-C4' energy: -47.377
flat angles P-C4'-P energy: -35.600
tors. eta vs tors. theta energy: -58.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -634.662825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.662825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.662825 (E_RNA)
where:
Base-Base interactions energy: -438.458
where: short stacking energy: -183.540
Base-Backbone interact. energy: -0.802
local terms energy: -195.402738
where:
bonds (distance) C4'-P energy: -38.313
bonds (distance) P-C4' energy: -37.350
flat angles C4'-P-C4' energy: -45.764
flat angles P-C4'-P energy: -24.008
tors. eta vs tors. theta energy: -49.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -403.504060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.504060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.504060 (E_RNA)
where:
Base-Base interactions energy: -225.498
where: short stacking energy: -117.544
Base-Backbone interact. energy: -0.718
local terms energy: -177.288106
where:
bonds (distance) C4'-P energy: -42.132
bonds (distance) P-C4' energy: -33.353
flat angles C4'-P-C4' energy: -50.624
flat angles P-C4'-P energy: -27.040
tors. eta vs tors. theta energy: -24.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -416.893691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.893691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.893691 (E_RNA)
where:
Base-Base interactions energy: -252.664
where: short stacking energy: -132.229
Base-Backbone interact. energy: -0.598
local terms energy: -163.631860
where:
bonds (distance) C4'-P energy: -44.881
bonds (distance) P-C4' energy: -40.590
flat angles C4'-P-C4' energy: -32.937
flat angles P-C4'-P energy: -21.761
tors. eta vs tors. theta energy: -23.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -310.983467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.983467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.983467 (E_RNA)
where:
Base-Base interactions energy: -182.687
where: short stacking energy: -103.593
Base-Backbone interact. energy: 0.293
local terms energy: -128.589032
where:
bonds (distance) C4'-P energy: -38.023
bonds (distance) P-C4' energy: -33.332
flat angles C4'-P-C4' energy: -28.266
flat angles P-C4'-P energy: -25.943
tors. eta vs tors. theta energy: -3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -843.131869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.131869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.131869 (E_RNA)
where:
Base-Base interactions energy: -575.290
where: short stacking energy: -246.270
Base-Backbone interact. energy: -1.450
local terms energy: -266.391818
where:
bonds (distance) C4'-P energy: -48.634
bonds (distance) P-C4' energy: -50.406
flat angles C4'-P-C4' energy: -53.410
flat angles P-C4'-P energy: -36.442
tors. eta vs tors. theta energy: -77.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -846.477254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.477254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.477254 (E_RNA)
where:
Base-Base interactions energy: -598.570
where: short stacking energy: -238.294
Base-Backbone interact. energy: 0.595
local terms energy: -248.502083
where:
bonds (distance) C4'-P energy: -46.879
bonds (distance) P-C4' energy: -49.079
flat angles C4'-P-C4' energy: -55.856
flat angles P-C4'-P energy: -31.465
tors. eta vs tors. theta energy: -65.223
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: 3, replica: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -780.633142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.633142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.633142 (E_RNA)
where:
Base-Base interactions energy: -541.069
where: short stacking energy: -221.404
Base-Backbone interact. energy: 1.696
local terms energy: -241.260097
where:
bonds (distance) C4'-P energy: -47.590
bonds (distance) P-C4' energy: -42.166
flat angles C4'-P-C4' energy: -50.698
flat angles P-C4'-P energy: -31.666
tors. eta vs tors. theta energy: -69.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -725.151842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.151842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.151842 (E_RNA)
where:
Base-Base interactions energy: -514.792
where: short stacking energy: -211.902
Base-Backbone interact. energy: -2.341
local terms energy: -208.019068
where:
bonds (distance) C4'-P energy: -36.218
bonds (distance) P-C4' energy: -44.273
flat angles C4'-P-C4' energy: -44.659
flat angles P-C4'-P energy: -23.148
tors. eta vs tors. theta energy: -59.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -748.541336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.541336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.541336 (E_RNA)
where:
Base-Base interactions energy: -521.330
where: short stacking energy: -210.509
Base-Backbone interact. energy: 3.847
local terms energy: -231.057985
where:
bonds (distance) C4'-P energy: -47.654
bonds (distance) P-C4' energy: -41.172
flat angles C4'-P-C4' energy: -42.363
flat angles P-C4'-P energy: -29.571
tors. eta vs tors. theta energy: -70.299
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: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -655.999660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.999660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.999660 (E_RNA)
where:
Base-Base interactions energy: -462.745
where: short stacking energy: -208.496
Base-Backbone interact. energy: -1.121
local terms energy: -192.133489
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -28.923
flat angles C4'-P-C4' energy: -43.324
flat angles P-C4'-P energy: -40.385
tors. eta vs tors. theta energy: -54.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -623.690203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.690203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.690203 (E_RNA)
where:
Base-Base interactions energy: -428.947
where: short stacking energy: -191.814
Base-Backbone interact. energy: -0.661
local terms energy: -194.082001
where:
bonds (distance) C4'-P energy: -32.774
bonds (distance) P-C4' energy: -42.971
flat angles C4'-P-C4' energy: -44.802
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: -54.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -451.629792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.629792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.629792 (E_RNA)
where:
Base-Base interactions energy: -277.322
where: short stacking energy: -142.235
Base-Backbone interact. energy: 0.549
local terms energy: -174.856966
where:
bonds (distance) C4'-P energy: -40.888
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -46.710
flat angles P-C4'-P energy: -26.886
tors. eta vs tors. theta energy: -26.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -359.528467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.528467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.528467 (E_RNA)
where:
Base-Base interactions energy: -184.956
where: short stacking energy: -93.732
Base-Backbone interact. energy: -1.085
local terms energy: -173.487986
where:
bonds (distance) C4'-P energy: -41.978
bonds (distance) P-C4' energy: -43.595
flat angles C4'-P-C4' energy: -39.972
flat angles P-C4'-P energy: -27.735
tors. eta vs tors. theta energy: -20.208
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: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -316.122862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.122862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.122862 (E_RNA)
where:
Base-Base interactions energy: -181.045
where: short stacking energy: -104.496
Base-Backbone interact. energy: 1.907
local terms energy: -136.985257
where:
bonds (distance) C4'-P energy: -42.991
bonds (distance) P-C4' energy: -42.889
flat angles C4'-P-C4' energy: -25.169
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -853.146611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.146611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.146611 (E_RNA)
where:
Base-Base interactions energy: -594.767
where: short stacking energy: -235.573
Base-Backbone interact. energy: -1.652
local terms energy: -256.727759
where:
bonds (distance) C4'-P energy: -44.511
bonds (distance) P-C4' energy: -50.614
flat angles C4'-P-C4' energy: -54.714
flat angles P-C4'-P energy: -40.135
tors. eta vs tors. theta energy: -66.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -839.640439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.640439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.640439 (E_RNA)
where:
Base-Base interactions energy: -579.718
where: short stacking energy: -236.268
Base-Backbone interact. energy: -0.785
local terms energy: -259.137029
where:
bonds (distance) C4'-P energy: -45.307
bonds (distance) P-C4' energy: -51.187
flat angles C4'-P-C4' energy: -53.702
flat angles P-C4'-P energy: -37.499
tors. eta vs tors. theta energy: -71.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -784.994791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.994791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.994791 (E_RNA)
where:
Base-Base interactions energy: -533.956
where: short stacking energy: -224.560
Base-Backbone interact. energy: -1.132
local terms energy: -249.906855
where:
bonds (distance) C4'-P energy: -44.121
bonds (distance) P-C4' energy: -49.939
flat angles C4'-P-C4' energy: -49.804
flat angles P-C4'-P energy: -35.633
tors. eta vs tors. theta energy: -70.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -745.490371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.490371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.490371 (E_RNA)
where:
Base-Base interactions energy: -507.835
where: short stacking energy: -228.825
Base-Backbone interact. energy: -1.603
local terms energy: -236.052725
where:
bonds (distance) C4'-P energy: -36.321
bonds (distance) P-C4' energy: -50.829
flat angles C4'-P-C4' energy: -50.170
flat angles P-C4'-P energy: -38.050
tors. eta vs tors. theta energy: -60.683
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: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -730.725642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.725642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.725642 (E_RNA)
where:
Base-Base interactions energy: -502.517
where: short stacking energy: -209.404
Base-Backbone interact. energy: -1.048
local terms energy: -227.160843
where:
bonds (distance) C4'-P energy: -47.289
bonds (distance) P-C4' energy: -36.743
flat angles C4'-P-C4' energy: -46.468
flat angles P-C4'-P energy: -33.737
tors. eta vs tors. theta energy: -62.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -674.154759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.154759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.154759 (E_RNA)
where:
Base-Base interactions energy: -472.572
where: short stacking energy: -201.071
Base-Backbone interact. energy: 0.177
local terms energy: -201.760085
where:
bonds (distance) C4'-P energy: -36.988
bonds (distance) P-C4' energy: -42.832
flat angles C4'-P-C4' energy: -49.428
flat angles P-C4'-P energy: -28.399
tors. eta vs tors. theta energy: -44.113
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: 7
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -637.992224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.992224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.992224 (E_RNA)
where:
Base-Base interactions energy: -438.916
where: short stacking energy: -174.457
Base-Backbone interact. energy: -1.662
local terms energy: -197.414000
where:
bonds (distance) C4'-P energy: -42.463
bonds (distance) P-C4' energy: -38.352
flat angles C4'-P-C4' energy: -47.920
flat angles P-C4'-P energy: -23.835
tors. eta vs tors. theta energy: -44.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -463.120519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.120519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.120519 (E_RNA)
where:
Base-Base interactions energy: -273.510
where: short stacking energy: -136.169
Base-Backbone interact. energy: -0.883
local terms energy: -188.727480
where:
bonds (distance) C4'-P energy: -48.700
bonds (distance) P-C4' energy: -45.962
flat angles C4'-P-C4' energy: -40.480
flat angles P-C4'-P energy: -23.372
tors. eta vs tors. theta energy: -30.213
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: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -323.396321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.396321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.396321 (E_RNA)
where:
Base-Base interactions energy: -182.181
where: short stacking energy: -107.838
Base-Backbone interact. energy: -0.302
local terms energy: -140.913149
where:
bonds (distance) C4'-P energy: -29.986
bonds (distance) P-C4' energy: -45.204
flat angles C4'-P-C4' energy: -41.514
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -5.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -324.188464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.188464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.188464 (E_RNA)
where:
Base-Base interactions energy: -165.364
where: short stacking energy: -88.334
Base-Backbone interact. energy: -0.577
local terms energy: -158.247501
where:
bonds (distance) C4'-P energy: -49.485
bonds (distance) P-C4' energy: -39.170
flat angles C4'-P-C4' energy: -37.468
flat angles P-C4'-P energy: -25.226
tors. eta vs tors. theta energy: -6.898
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: 8
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -845.586815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.586815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.586815 (E_RNA)
where:
Base-Base interactions energy: -597.580
where: short stacking energy: -239.824
Base-Backbone interact. energy: -1.010
local terms energy: -246.996517
where:
bonds (distance) C4'-P energy: -46.809
bonds (distance) P-C4' energy: -46.538
flat angles C4'-P-C4' energy: -56.548
flat angles P-C4'-P energy: -32.588
tors. eta vs tors. theta energy: -64.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -839.528214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.528214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.528214 (E_RNA)
where:
Base-Base interactions energy: -573.645
where: short stacking energy: -238.668
Base-Backbone interact. energy: -0.629
local terms energy: -265.254378
where:
bonds (distance) C4'-P energy: -50.163
bonds (distance) P-C4' energy: -43.342
flat angles C4'-P-C4' energy: -56.579
flat angles P-C4'-P energy: -37.109
tors. eta vs tors. theta energy: -78.061
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: 3, replica: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -804.807121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.807121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.807121 (E_RNA)
where:
Base-Base interactions energy: -548.288
where: short stacking energy: -236.967
Base-Backbone interact. energy: 1.529
local terms energy: -258.047577
where:
bonds (distance) C4'-P energy: -50.039
bonds (distance) P-C4' energy: -41.475
flat angles C4'-P-C4' energy: -54.780
flat angles P-C4'-P energy: -42.527
tors. eta vs tors. theta energy: -69.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -768.050081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.050081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.050081 (E_RNA)
where:
Base-Base interactions energy: -537.889
where: short stacking energy: -228.591
Base-Backbone interact. energy: 1.693
local terms energy: -231.854309
where:
bonds (distance) C4'-P energy: -38.253
bonds (distance) P-C4' energy: -51.549
flat angles C4'-P-C4' energy: -47.696
flat angles P-C4'-P energy: -31.931
tors. eta vs tors. theta energy: -62.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -745.332980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.332980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.332980 (E_RNA)
where:
Base-Base interactions energy: -515.579
where: short stacking energy: -212.021
Base-Backbone interact. energy: -1.168
local terms energy: -228.585719
where:
bonds (distance) C4'-P energy: -44.286
bonds (distance) P-C4' energy: -44.897
flat angles C4'-P-C4' energy: -51.994
flat angles P-C4'-P energy: -24.257
tors. eta vs tors. theta energy: -63.152
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: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -658.910233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.910233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.910233 (E_RNA)
where:
Base-Base interactions energy: -459.879
where: short stacking energy: -201.958
Base-Backbone interact. energy: -0.517
local terms energy: -198.513675
where:
bonds (distance) C4'-P energy: -45.121
bonds (distance) P-C4' energy: -32.652
flat angles C4'-P-C4' energy: -50.616
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: -46.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -648.531293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.531293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.531293 (E_RNA)
where:
Base-Base interactions energy: -448.433
where: short stacking energy: -180.807
Base-Backbone interact. energy: -1.056
local terms energy: -199.042256
where:
bonds (distance) C4'-P energy: -37.691
bonds (distance) P-C4' energy: -39.159
flat angles C4'-P-C4' energy: -49.139
flat angles P-C4'-P energy: -24.449
tors. eta vs tors. theta energy: -48.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -438.799463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.799463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.799463 (E_RNA)
where:
Base-Base interactions energy: -272.215
where: short stacking energy: -121.567
Base-Backbone interact. energy: -0.797
local terms energy: -165.787188
where:
bonds (distance) C4'-P energy: -45.970
bonds (distance) P-C4' energy: -35.367
flat angles C4'-P-C4' energy: -37.793
flat angles P-C4'-P energy: -22.248
tors. eta vs tors. theta energy: -24.408
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: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -307.732624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.732624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.732624 (E_RNA)
where:
Base-Base interactions energy: -163.691
where: short stacking energy: -105.730
Base-Backbone interact. energy: -0.886
local terms energy: -143.155788
where:
bonds (distance) C4'-P energy: -39.062
bonds (distance) P-C4' energy: -34.162
flat angles C4'-P-C4' energy: -37.888
flat angles P-C4'-P energy: -20.962
tors. eta vs tors. theta energy: -11.082
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: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -290.481173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.481173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.481173 (E_RNA)
where:
Base-Base interactions energy: -151.751
where: short stacking energy: -72.941
Base-Backbone interact. energy: -2.124
local terms energy: -136.606338
where:
bonds (distance) C4'-P energy: -33.629
bonds (distance) P-C4' energy: -38.853
flat angles C4'-P-C4' energy: -38.841
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -10.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -843.590922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.590922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.590922 (E_RNA)
where:
Base-Base interactions energy: -588.421
where: short stacking energy: -242.213
Base-Backbone interact. energy: -2.522
local terms energy: -252.647198
where:
bonds (distance) C4'-P energy: -44.105
bonds (distance) P-C4' energy: -47.938
flat angles C4'-P-C4' energy: -56.732
flat angles P-C4'-P energy: -32.823
tors. eta vs tors. theta energy: -71.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -833.855543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.855543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.855543 (E_RNA)
where:
Base-Base interactions energy: -586.870
where: short stacking energy: -249.971
Base-Backbone interact. energy: -0.408
local terms energy: -246.577156
where:
bonds (distance) C4'-P energy: -44.938
bonds (distance) P-C4' energy: -38.307
flat angles C4'-P-C4' energy: -51.428
flat angles P-C4'-P energy: -39.628
tors. eta vs tors. theta energy: -72.276
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: 6
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -825.840203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.840203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.840203 (E_RNA)
where:
Base-Base interactions energy: -571.282
where: short stacking energy: -242.477
Base-Backbone interact. energy: -0.636
local terms energy: -253.922331
where:
bonds (distance) C4'-P energy: -49.544
bonds (distance) P-C4' energy: -46.118
flat angles C4'-P-C4' energy: -47.762
flat angles P-C4'-P energy: -39.103
tors. eta vs tors. theta energy: -71.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -746.751553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.751553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.751553 (E_RNA)
where:
Base-Base interactions energy: -514.502
where: short stacking energy: -224.408
Base-Backbone interact. energy: -0.944
local terms energy: -231.305302
where:
bonds (distance) C4'-P energy: -48.067
bonds (distance) P-C4' energy: -43.371
flat angles C4'-P-C4' energy: -43.712
flat angles P-C4'-P energy: -30.096
tors. eta vs tors. theta energy: -66.060
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: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -735.452927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.452927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.452927 (E_RNA)
where:
Base-Base interactions energy: -527.133
where: short stacking energy: -227.309
Base-Backbone interact. energy: 1.233
local terms energy: -209.552478
where:
bonds (distance) C4'-P energy: -39.763
bonds (distance) P-C4' energy: -34.315
flat angles C4'-P-C4' energy: -50.207
flat angles P-C4'-P energy: -25.828
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: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -676.499584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.499584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.499584 (E_RNA)
where:
Base-Base interactions energy: -457.681
where: short stacking energy: -202.862
Base-Backbone interact. energy: -0.363
local terms energy: -218.456008
where:
bonds (distance) C4'-P energy: -38.473
bonds (distance) P-C4' energy: -42.483
flat angles C4'-P-C4' energy: -50.905
flat angles P-C4'-P energy: -33.288
tors. eta vs tors. theta energy: -53.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -664.210687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.210687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.210687 (E_RNA)
where:
Base-Base interactions energy: -467.193
where: short stacking energy: -218.187
Base-Backbone interact. energy: -0.183
local terms energy: -196.835103
where:
bonds (distance) C4'-P energy: -29.734
bonds (distance) P-C4' energy: -43.388
flat angles C4'-P-C4' energy: -40.782
flat angles P-C4'-P energy: -27.308
tors. eta vs tors. theta energy: -55.624
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: 8, replica: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -431.743909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.743909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.743909 (E_RNA)
where:
Base-Base interactions energy: -261.592
where: short stacking energy: -133.907
Base-Backbone interact. energy: -1.572
local terms energy: -168.579578
where:
bonds (distance) C4'-P energy: -41.159
bonds (distance) P-C4' energy: -37.081
flat angles C4'-P-C4' energy: -40.494
flat angles P-C4'-P energy: -21.416
tors. eta vs tors. theta energy: -28.429
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: 9, replica: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -300.872333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.872333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.872333 (E_RNA)
where:
Base-Base interactions energy: -149.971
where: short stacking energy: -84.501
Base-Backbone interact. energy: -0.884
local terms energy: -150.017434
where:
bonds (distance) C4'-P energy: -38.560
bonds (distance) P-C4' energy: -36.915
flat angles C4'-P-C4' energy: -44.401
flat angles P-C4'-P energy: -19.512
tors. eta vs tors. theta energy: -10.629
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: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -286.633360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.633360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.633360 (E_RNA)
where:
Base-Base interactions energy: -149.918
where: short stacking energy: -84.293
Base-Backbone interact. energy: -0.405
local terms energy: -136.310373
where:
bonds (distance) C4'-P energy: -34.169
bonds (distance) P-C4' energy: -31.035
flat angles C4'-P-C4' energy: -27.760
flat angles P-C4'-P energy: -33.165
tors. eta vs tors. theta energy: -10.181
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: 8
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -841.169761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.169761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.169761 (E_RNA)
where:
Base-Base interactions energy: -598.370
where: short stacking energy: -244.492
Base-Backbone interact. energy: -2.056
local terms energy: -240.743749
where:
bonds (distance) C4'-P energy: -36.825
bonds (distance) P-C4' energy: -44.179
flat angles C4'-P-C4' energy: -55.995
flat angles P-C4'-P energy: -33.890
tors. eta vs tors. theta energy: -69.855
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: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -829.383731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.383731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.383731 (E_RNA)
where:
Base-Base interactions energy: -572.608
where: short stacking energy: -252.008
Base-Backbone interact. energy: -0.263
local terms energy: -256.513042
where:
bonds (distance) C4'-P energy: -52.639
bonds (distance) P-C4' energy: -47.026
flat angles C4'-P-C4' energy: -45.088
flat angles P-C4'-P energy: -34.340
tors. eta vs tors. theta energy: -77.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -807.608204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.608204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.608204 (E_RNA)
where:
Base-Base interactions energy: -572.944
where: short stacking energy: -248.004
Base-Backbone interact. energy: 1.446
local terms energy: -236.110429
where:
bonds (distance) C4'-P energy: -42.293
bonds (distance) P-C4' energy: -42.083
flat angles C4'-P-C4' energy: -48.211
flat angles P-C4'-P energy: -34.718
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: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -759.415311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.415311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.415311 (E_RNA)
where:
Base-Base interactions energy: -521.572
where: short stacking energy: -226.720
Base-Backbone interact. energy: -0.850
local terms energy: -236.993257
where:
bonds (distance) C4'-P energy: -35.045
bonds (distance) P-C4' energy: -43.418
flat angles C4'-P-C4' energy: -50.147
flat angles P-C4'-P energy: -38.120
tors. eta vs tors. theta energy: -70.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -709.580460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.580460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.580460 (E_RNA)
where:
Base-Base interactions energy: -482.269
where: short stacking energy: -200.995
Base-Backbone interact. energy: -0.939
local terms energy: -226.371886
where:
bonds (distance) C4'-P energy: -46.416
bonds (distance) P-C4' energy: -44.783
flat angles C4'-P-C4' energy: -48.860
flat angles P-C4'-P energy: -28.072
tors. eta vs tors. theta energy: -58.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -675.934400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.934400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.934400 (E_RNA)
where:
Base-Base interactions energy: -467.294
where: short stacking energy: -202.811
Base-Backbone interact. energy: -1.217
local terms energy: -207.423819
where:
bonds (distance) C4'-P energy: -33.547
bonds (distance) P-C4' energy: -39.788
flat angles C4'-P-C4' energy: -40.671
flat angles P-C4'-P energy: -35.392
tors. eta vs tors. theta energy: -58.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -665.490755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.490755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.490755 (E_RNA)
where:
Base-Base interactions energy: -454.511
where: short stacking energy: -199.666
Base-Backbone interact. energy: -0.003
local terms energy: -210.976083
where:
bonds (distance) C4'-P energy: -38.387
bonds (distance) P-C4' energy: -45.628
flat angles C4'-P-C4' energy: -40.836
flat angles P-C4'-P energy: -30.187
tors. eta vs tors. theta energy: -55.938
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: 8, replica: 2
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -441.663570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.663570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.663570 (E_RNA)
where:
Base-Base interactions energy: -257.079
where: short stacking energy: -125.364
Base-Backbone interact. energy: 0.745
local terms energy: -185.329812
where:
bonds (distance) C4'-P energy: -36.937
bonds (distance) P-C4' energy: -37.556
flat angles C4'-P-C4' energy: -46.835
flat angles P-C4'-P energy: -35.766
tors. eta vs tors. theta energy: -28.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -319.197418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.197418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.197418 (E_RNA)
where:
Base-Base interactions energy: -168.115
where: short stacking energy: -101.402
Base-Backbone interact. energy: 1.903
local terms energy: -152.985311
where:
bonds (distance) C4'-P energy: -44.162
bonds (distance) P-C4' energy: -37.967
flat angles C4'-P-C4' energy: -31.740
flat angles P-C4'-P energy: -16.977
tors. eta vs tors. theta energy: -22.139
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: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -339.186083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.186083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.186083 (E_RNA)
where:
Base-Base interactions energy: -185.613
where: short stacking energy: -90.115
Base-Backbone interact. energy: -0.823
local terms energy: -152.750021
where:
bonds (distance) C4'-P energy: -45.670
bonds (distance) P-C4' energy: -38.671
flat angles C4'-P-C4' energy: -26.172
flat angles P-C4'-P energy: -29.473
tors. eta vs tors. theta energy: -12.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -845.058913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.058913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.058913 (E_RNA)
where:
Base-Base interactions energy: -582.756
where: short stacking energy: -242.689
Base-Backbone interact. energy: -1.064
local terms energy: -261.238394
where:
bonds (distance) C4'-P energy: -44.700
bonds (distance) P-C4' energy: -54.881
flat angles C4'-P-C4' energy: -52.006
flat angles P-C4'-P energy: -38.043
tors. eta vs tors. theta energy: -71.609
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: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -827.462179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.462179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.462179 (E_RNA)
where:
Base-Base interactions energy: -580.404
where: short stacking energy: -245.625
Base-Backbone interact. energy: -1.267
local terms energy: -245.791286
where:
bonds (distance) C4'-P energy: -41.193
bonds (distance) P-C4' energy: -45.550
flat angles C4'-P-C4' energy: -50.063
flat angles P-C4'-P energy: -35.767
tors. eta vs tors. theta energy: -73.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -825.060350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.060350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.060350 (E_RNA)
where:
Base-Base interactions energy: -581.995
where: short stacking energy: -243.697
Base-Backbone interact. energy: -1.129
local terms energy: -241.936661
where:
bonds (distance) C4'-P energy: -42.891
bonds (distance) P-C4' energy: -43.020
flat angles C4'-P-C4' energy: -50.677
flat angles P-C4'-P energy: -37.803
tors. eta vs tors. theta energy: -67.545
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: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -747.490946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.490946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.490946 (E_RNA)
where:
Base-Base interactions energy: -515.537
where: short stacking energy: -224.790
Base-Backbone interact. energy: -0.742
local terms energy: -231.211429
where:
bonds (distance) C4'-P energy: -41.121
bonds (distance) P-C4' energy: -45.184
flat angles C4'-P-C4' energy: -47.920
flat angles P-C4'-P energy: -34.977
tors. eta vs tors. theta energy: -62.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -692.092683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.092683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.092683 (E_RNA)
where:
Base-Base interactions energy: -470.629
where: short stacking energy: -209.468
Base-Backbone interact. energy: -1.359
local terms energy: -220.105009
where:
bonds (distance) C4'-P energy: -49.914
bonds (distance) P-C4' energy: -45.039
flat angles C4'-P-C4' energy: -40.220
flat angles P-C4'-P energy: -30.509
tors. eta vs tors. theta energy: -54.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -681.229503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.229503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.229503 (E_RNA)
where:
Base-Base interactions energy: -471.828
where: short stacking energy: -193.158
Base-Backbone interact. energy: -0.396
local terms energy: -209.004728
where:
bonds (distance) C4'-P energy: -43.723
bonds (distance) P-C4' energy: -43.768
flat angles C4'-P-C4' energy: -33.663
flat angles P-C4'-P energy: -34.097
tors. eta vs tors. theta energy: -53.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -676.684088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.684088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.684088 (E_RNA)
where:
Base-Base interactions energy: -474.640
where: short stacking energy: -198.539
Base-Backbone interact. energy: -0.909
local terms energy: -201.134931
where:
bonds (distance) C4'-P energy: -43.182
bonds (distance) P-C4' energy: -29.894
flat angles C4'-P-C4' energy: -42.676
flat angles P-C4'-P energy: -30.344
tors. eta vs tors. theta energy: -55.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -462.552821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.552821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.552821 (E_RNA)
where:
Base-Base interactions energy: -289.351
where: short stacking energy: -135.595
Base-Backbone interact. energy: 0.986
local terms energy: -174.188338
where:
bonds (distance) C4'-P energy: -33.531
bonds (distance) P-C4' energy: -43.123
flat angles C4'-P-C4' energy: -44.854
flat angles P-C4'-P energy: -30.380
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: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -322.593134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.593134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.593134 (E_RNA)
where:
Base-Base interactions energy: -163.196
where: short stacking energy: -105.515
Base-Backbone interact. energy: -0.027
local terms energy: -159.369811
where:
bonds (distance) C4'-P energy: -42.469
bonds (distance) P-C4' energy: -43.898
flat angles C4'-P-C4' energy: -35.756
flat angles P-C4'-P energy: -28.654
tors. eta vs tors. theta energy: -8.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -328.295356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.295356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.295356 (E_RNA)
where:
Base-Base interactions energy: -173.232
where: short stacking energy: -110.190
Base-Backbone interact. energy: -0.695
local terms energy: -154.367620
where:
bonds (distance) C4'-P energy: -39.317
bonds (distance) P-C4' energy: -42.382
flat angles C4'-P-C4' energy: -36.713
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -20.028
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: 8
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -843.086407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.086407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.086407 (E_RNA)
where:
Base-Base interactions energy: -601.690
where: short stacking energy: -234.340
Base-Backbone interact. energy: -0.440
local terms energy: -240.955969
where:
bonds (distance) C4'-P energy: -47.733
bonds (distance) P-C4' energy: -47.287
flat angles C4'-P-C4' energy: -45.615
flat angles P-C4'-P energy: -35.133
tors. eta vs tors. theta energy: -65.188
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: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -826.347106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.347106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.347106 (E_RNA)
where:
Base-Base interactions energy: -572.832
where: short stacking energy: -244.759
Base-Backbone interact. energy: -1.103
local terms energy: -252.411989
where:
bonds (distance) C4'-P energy: -46.371
bonds (distance) P-C4' energy: -49.110
flat angles C4'-P-C4' energy: -52.598
flat angles P-C4'-P energy: -34.490
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: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -808.742850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.742850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.742850 (E_RNA)
where:
Base-Base interactions energy: -561.498
where: short stacking energy: -253.498
Base-Backbone interact. energy: -0.809
local terms energy: -246.436796
where:
bonds (distance) C4'-P energy: -48.976
bonds (distance) P-C4' energy: -37.059
flat angles C4'-P-C4' energy: -49.460
flat angles P-C4'-P energy: -33.552
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: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -767.991180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.991180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.991180 (E_RNA)
where:
Base-Base interactions energy: -536.931
where: short stacking energy: -236.989
Base-Backbone interact. energy: -1.317
local terms energy: -229.743207
where:
bonds (distance) C4'-P energy: -38.126
bonds (distance) P-C4' energy: -41.513
flat angles C4'-P-C4' energy: -52.276
flat angles P-C4'-P energy: -31.167
tors. eta vs tors. theta energy: -66.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -698.628736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.628736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.628736 (E_RNA)
where:
Base-Base interactions energy: -464.935
where: short stacking energy: -205.599
Base-Backbone interact. energy: -0.095
local terms energy: -233.597930
where:
bonds (distance) C4'-P energy: -46.931
bonds (distance) P-C4' energy: -41.521
flat angles C4'-P-C4' energy: -48.362
flat angles P-C4'-P energy: -36.759
tors. eta vs tors. theta energy: -60.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -708.810460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.810460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.810460 (E_RNA)
where:
Base-Base interactions energy: -479.672
where: short stacking energy: -212.334
Base-Backbone interact. energy: -1.088
local terms energy: -228.050347
where:
bonds (distance) C4'-P energy: -38.629
bonds (distance) P-C4' energy: -45.278
flat angles C4'-P-C4' energy: -53.364
flat angles P-C4'-P energy: -30.341
tors. eta vs tors. theta energy: -60.438
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: 7, replica: 3
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -665.596670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.596670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.596670 (E_RNA)
where:
Base-Base interactions energy: -456.603
where: short stacking energy: -191.550
Base-Backbone interact. energy: -1.233
local terms energy: -207.761339
where:
bonds (distance) C4'-P energy: -36.673
bonds (distance) P-C4' energy: -38.053
flat angles C4'-P-C4' energy: -52.747
flat angles P-C4'-P energy: -28.601
tors. eta vs tors. theta energy: -51.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -500.697625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.697625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.697625 (E_RNA)
where:
Base-Base interactions energy: -306.848
where: short stacking energy: -153.630
Base-Backbone interact. energy: -1.333
local terms energy: -192.517092
where:
bonds (distance) C4'-P energy: -40.665
bonds (distance) P-C4' energy: -45.546
flat angles C4'-P-C4' energy: -32.174
flat angles P-C4'-P energy: -31.199
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: 9, replica: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -317.895831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.895831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.895831 (E_RNA)
where:
Base-Base interactions energy: -171.934
where: short stacking energy: -92.002
Base-Backbone interact. energy: -0.195
local terms energy: -145.766416
where:
bonds (distance) C4'-P energy: -44.504
bonds (distance) P-C4' energy: -44.352
flat angles C4'-P-C4' energy: -32.425
flat angles P-C4'-P energy: -20.832
tors. eta vs tors. theta energy: -3.654
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: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -308.437270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.437270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.437270 (E_RNA)
where:
Base-Base interactions energy: -160.028
where: short stacking energy: -85.698
Base-Backbone interact. energy: -0.645
local terms energy: -147.764539
where:
bonds (distance) C4'-P energy: -30.181
bonds (distance) P-C4' energy: -41.617
flat angles C4'-P-C4' energy: -35.575
flat angles P-C4'-P energy: -23.728
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -856.560908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.560908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.560908 (E_RNA)
where:
Base-Base interactions energy: -611.305
where: short stacking energy: -243.380
Base-Backbone interact. energy: -2.607
local terms energy: -242.648490
where:
bonds (distance) C4'-P energy: -45.281
bonds (distance) P-C4' energy: -48.998
flat angles C4'-P-C4' energy: -43.512
flat angles P-C4'-P energy: -36.398
tors. eta vs tors. theta energy: -68.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -820.938343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.938343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.938343 (E_RNA)
where:
Base-Base interactions energy: -579.962
where: short stacking energy: -236.090
Base-Backbone interact. energy: -1.100
local terms energy: -239.877020
where:
bonds (distance) C4'-P energy: -50.196
bonds (distance) P-C4' energy: -39.901
flat angles C4'-P-C4' energy: -50.940
flat angles P-C4'-P energy: -29.403
tors. eta vs tors. theta energy: -69.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -813.392554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.392554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.392554 (E_RNA)
where:
Base-Base interactions energy: -556.039
where: short stacking energy: -238.567
Base-Backbone interact. energy: -0.114
local terms energy: -257.240152
where:
bonds (distance) C4'-P energy: -46.623
bonds (distance) P-C4' energy: -48.313
flat angles C4'-P-C4' energy: -56.221
flat angles P-C4'-P energy: -32.459
tors. eta vs tors. theta energy: -73.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -750.875452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.875452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.875452 (E_RNA)
where:
Base-Base interactions energy: -528.550
where: short stacking energy: -239.020
Base-Backbone interact. energy: -0.495
local terms energy: -221.830919
where:
bonds (distance) C4'-P energy: -37.338
bonds (distance) P-C4' energy: -39.728
flat angles C4'-P-C4' energy: -49.619
flat angles P-C4'-P energy: -28.872
tors. eta vs tors. theta energy: -66.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -722.493677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.493677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.493677 (E_RNA)
where:
Base-Base interactions energy: -508.720
where: short stacking energy: -211.448
Base-Backbone interact. energy: -1.002
local terms energy: -212.771802
where:
bonds (distance) C4'-P energy: -35.486
bonds (distance) P-C4' energy: -43.006
flat angles C4'-P-C4' energy: -52.528
flat angles P-C4'-P energy: -23.823
tors. eta vs tors. theta energy: -57.928
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: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -639.140247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.140247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.140247 (E_RNA)
where:
Base-Base interactions energy: -442.086
where: short stacking energy: -192.475
Base-Backbone interact. energy: -1.246
local terms energy: -195.808649
where:
bonds (distance) C4'-P energy: -29.645
bonds (distance) P-C4' energy: -33.335
flat angles C4'-P-C4' energy: -44.228
flat angles P-C4'-P energy: -36.669
tors. eta vs tors. theta energy: -51.931
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: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -630.204166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.204166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.204166 (E_RNA)
where:
Base-Base interactions energy: -414.742
where: short stacking energy: -184.304
Base-Backbone interact. energy: -1.855
local terms energy: -213.607387
where:
bonds (distance) C4'-P energy: -40.881
bonds (distance) P-C4' energy: -45.195
flat angles C4'-P-C4' energy: -43.178
flat angles P-C4'-P energy: -31.425
tors. eta vs tors. theta energy: -52.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -480.975748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.975748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.975748 (E_RNA)
where:
Base-Base interactions energy: -303.979
where: short stacking energy: -123.025
Base-Backbone interact. energy: 0.880
local terms energy: -177.876136
where:
bonds (distance) C4'-P energy: -42.140
bonds (distance) P-C4' energy: -41.036
flat angles C4'-P-C4' energy: -43.544
flat angles P-C4'-P energy: -32.111
tors. eta vs tors. theta energy: -19.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -298.188511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.188511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.188511 (E_RNA)
where:
Base-Base interactions energy: -145.019
where: short stacking energy: -77.285
Base-Backbone interact. energy: 0.664
local terms energy: -153.833579
where:
bonds (distance) C4'-P energy: -48.669
bonds (distance) P-C4' energy: -36.159
flat angles C4'-P-C4' energy: -28.604
flat angles P-C4'-P energy: -30.410
tors. eta vs tors. theta energy: -9.992
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: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -338.762294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.762294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.762294 (E_RNA)
where:
Base-Base interactions energy: -170.946
where: short stacking energy: -103.596
Base-Backbone interact. energy: -1.181
local terms energy: -166.634885
where:
bonds (distance) C4'-P energy: -31.682
bonds (distance) P-C4' energy: -51.699
flat angles C4'-P-C4' energy: -44.356
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -15.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -858.152593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.152593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.152593 (E_RNA)
where:
Base-Base interactions energy: -597.608
where: short stacking energy: -243.361
Base-Backbone interact. energy: -1.496
local terms energy: -259.048934
where:
bonds (distance) C4'-P energy: -51.069
bonds (distance) P-C4' energy: -49.411
flat angles C4'-P-C4' energy: -48.145
flat angles P-C4'-P energy: -40.838
tors. eta vs tors. theta energy: -69.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -826.186116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.186116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.186116 (E_RNA)
where:
Base-Base interactions energy: -578.852
where: short stacking energy: -245.469
Base-Backbone interact. energy: 1.176
local terms energy: -248.509440
where:
bonds (distance) C4'-P energy: -44.511
bonds (distance) P-C4' energy: -44.474
flat angles C4'-P-C4' energy: -58.857
flat angles P-C4'-P energy: -33.532
tors. eta vs tors. theta energy: -67.135
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: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -804.774146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.774146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.774146 (E_RNA)
where:
Base-Base interactions energy: -567.695
where: short stacking energy: -245.428
Base-Backbone interact. energy: -0.423
local terms energy: -236.656680
where:
bonds (distance) C4'-P energy: -43.522
bonds (distance) P-C4' energy: -40.014
flat angles C4'-P-C4' energy: -50.740
flat angles P-C4'-P energy: -24.782
tors. eta vs tors. theta energy: -77.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -750.381859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.381859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.381859 (E_RNA)
where:
Base-Base interactions energy: -511.469
where: short stacking energy: -222.962
Base-Backbone interact. energy: -0.366
local terms energy: -238.546872
where:
bonds (distance) C4'-P energy: -42.705
bonds (distance) P-C4' energy: -40.875
flat angles C4'-P-C4' energy: -49.851
flat angles P-C4'-P energy: -32.866
tors. eta vs tors. theta energy: -72.251
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: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -725.120387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.120387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.120387 (E_RNA)
where:
Base-Base interactions energy: -510.280
where: short stacking energy: -193.940
Base-Backbone interact. energy: -0.176
local terms energy: -214.664310
where:
bonds (distance) C4'-P energy: -43.062
bonds (distance) P-C4' energy: -38.127
flat angles C4'-P-C4' energy: -42.921
flat angles P-C4'-P energy: -26.062
tors. eta vs tors. theta energy: -64.493
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: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -660.250886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.250886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.250886 (E_RNA)
where:
Base-Base interactions energy: -462.145
where: short stacking energy: -202.378
Base-Backbone interact. energy: -0.680
local terms energy: -197.425997
where:
bonds (distance) C4'-P energy: -40.559
bonds (distance) P-C4' energy: -43.227
flat angles C4'-P-C4' energy: -40.198
flat angles P-C4'-P energy: -23.158
tors. eta vs tors. theta energy: -50.285
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: 7
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -629.646836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.646836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.646836 (E_RNA)
where:
Base-Base interactions energy: -426.359
where: short stacking energy: -194.016
Base-Backbone interact. energy: -0.939
local terms energy: -202.349416
where:
bonds (distance) C4'-P energy: -43.022
bonds (distance) P-C4' energy: -42.286
flat angles C4'-P-C4' energy: -47.386
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -51.054
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: 8, replica: 2
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -466.675101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.675101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.675101 (E_RNA)
where:
Base-Base interactions energy: -293.726
where: short stacking energy: -137.111
Base-Backbone interact. energy: 1.542
local terms energy: -174.491173
where:
bonds (distance) C4'-P energy: -34.580
bonds (distance) P-C4' energy: -37.585
flat angles C4'-P-C4' energy: -45.011
flat angles P-C4'-P energy: -32.374
tors. eta vs tors. theta energy: -24.940
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: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -297.824754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.824754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.824754 (E_RNA)
where:
Base-Base interactions energy: -144.894
where: short stacking energy: -92.290
Base-Backbone interact. energy: 0.691
local terms energy: -153.621677
where:
bonds (distance) C4'-P energy: -43.009
bonds (distance) P-C4' energy: -46.871
flat angles C4'-P-C4' energy: -30.308
flat angles P-C4'-P energy: -26.907
tors. eta vs tors. theta energy: -6.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -284.084555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.084555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.084555 (E_RNA)
where:
Base-Base interactions energy: -146.512
where: short stacking energy: -80.708
Base-Backbone interact. energy: -1.799
local terms energy: -135.774104
where:
bonds (distance) C4'-P energy: -29.039
bonds (distance) P-C4' energy: -40.192
flat angles C4'-P-C4' energy: -48.594
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: 0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -848.539684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.539684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.539684 (E_RNA)
where:
Base-Base interactions energy: -602.869
where: short stacking energy: -247.564
Base-Backbone interact. energy: -0.013
local terms energy: -245.658618
where:
bonds (distance) C4'-P energy: -44.518
bonds (distance) P-C4' energy: -51.055
flat angles C4'-P-C4' energy: -46.624
flat angles P-C4'-P energy: -31.891
tors. eta vs tors. theta energy: -71.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -818.774701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.774701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.774701 (E_RNA)
where:
Base-Base interactions energy: -587.849
where: short stacking energy: -241.904
Base-Backbone interact. energy: -1.423
local terms energy: -229.502324
where:
bonds (distance) C4'-P energy: -37.565
bonds (distance) P-C4' energy: -43.909
flat angles C4'-P-C4' energy: -50.380
flat angles P-C4'-P energy: -35.201
tors. eta vs tors. theta energy: -62.447
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: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -802.519325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.519325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.519325 (E_RNA)
where:
Base-Base interactions energy: -557.373
where: short stacking energy: -238.880
Base-Backbone interact. energy: -1.632
local terms energy: -243.514014
where:
bonds (distance) C4'-P energy: -44.802
bonds (distance) P-C4' energy: -45.253
flat angles C4'-P-C4' energy: -50.206
flat angles P-C4'-P energy: -27.835
tors. eta vs tors. theta energy: -75.417
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: 398
Temperature: 1.050000
Total energy: -744.474789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.474789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.474789 (E_RNA)
where:
Base-Base interactions energy: -511.779
where: short stacking energy: -226.383
Base-Backbone interact. energy: 2.416
local terms energy: -235.112245
where:
bonds (distance) C4'-P energy: -47.327
bonds (distance) P-C4' energy: -35.999
flat angles C4'-P-C4' energy: -48.213
flat angles P-C4'-P energy: -35.542
tors. eta vs tors. theta energy: -68.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -748.912863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.912863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.912863 (E_RNA)
where:
Base-Base interactions energy: -515.219
where: short stacking energy: -216.643
Base-Backbone interact. energy: -0.767
local terms energy: -232.926736
where:
bonds (distance) C4'-P energy: -43.714
bonds (distance) P-C4' energy: -45.964
flat angles C4'-P-C4' energy: -53.273
flat angles P-C4'-P energy: -24.094
tors. eta vs tors. theta energy: -65.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -688.881070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.881070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.881070 (E_RNA)
where:
Base-Base interactions energy: -473.602
where: short stacking energy: -213.375
Base-Backbone interact. energy: -0.998
local terms energy: -214.280800
where:
bonds (distance) C4'-P energy: -34.147
bonds (distance) P-C4' energy: -43.042
flat angles C4'-P-C4' energy: -45.430
flat angles P-C4'-P energy: -32.892
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: 7, replica: 7
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -634.748441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.748441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.748441 (E_RNA)
where:
Base-Base interactions energy: -423.285
where: short stacking energy: -193.436
Base-Backbone interact. energy: -0.631
local terms energy: -210.832152
where:
bonds (distance) C4'-P energy: -37.109
bonds (distance) P-C4' energy: -48.478
flat angles C4'-P-C4' energy: -46.860
flat angles P-C4'-P energy: -26.330
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: 2
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -502.873095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.873095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.873095 (E_RNA)
where:
Base-Base interactions energy: -312.787
where: short stacking energy: -160.794
Base-Backbone interact. energy: -0.127
local terms energy: -189.959262
where:
bonds (distance) C4'-P energy: -40.105
bonds (distance) P-C4' energy: -43.581
flat angles C4'-P-C4' energy: -47.001
flat angles P-C4'-P energy: -26.957
tors. eta vs tors. theta energy: -32.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -331.499751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.499751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.499751 (E_RNA)
where:
Base-Base interactions energy: -181.419
where: short stacking energy: -111.218
Base-Backbone interact. energy: -0.994
local terms energy: -149.086922
where:
bonds (distance) C4'-P energy: -41.541
bonds (distance) P-C4' energy: -37.168
flat angles C4'-P-C4' energy: -40.014
flat angles P-C4'-P energy: -23.628
tors. eta vs tors. theta energy: -6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -296.401342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.401342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.401342 (E_RNA)
where:
Base-Base interactions energy: -136.951
where: short stacking energy: -74.863
Base-Backbone interact. energy: -0.415
local terms energy: -159.034771
where:
bonds (distance) C4'-P energy: -36.416
bonds (distance) P-C4' energy: -47.987
flat angles C4'-P-C4' energy: -36.352
flat angles P-C4'-P energy: -25.704
tors. eta vs tors. theta energy: -12.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -834.673330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.673330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.673330 (E_RNA)
where:
Base-Base interactions energy: -571.849
where: short stacking energy: -233.109
Base-Backbone interact. energy: 0.264
local terms energy: -263.087688
where:
bonds (distance) C4'-P energy: -53.924
bonds (distance) P-C4' energy: -49.429
flat angles C4'-P-C4' energy: -49.792
flat angles P-C4'-P energy: -40.340
tors. eta vs tors. theta energy: -69.602
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: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -835.285472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.285472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.285472 (E_RNA)
where:
Base-Base interactions energy: -580.760
where: short stacking energy: -238.108
Base-Backbone interact. energy: -0.144
local terms energy: -254.381341
where:
bonds (distance) C4'-P energy: -46.667
bonds (distance) P-C4' energy: -41.564
flat angles C4'-P-C4' energy: -53.982
flat angles P-C4'-P energy: -37.925
tors. eta vs tors. theta energy: -74.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -815.209725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.209725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.209725 (E_RNA)
where:
Base-Base interactions energy: -573.867
where: short stacking energy: -244.281
Base-Backbone interact. energy: 0.255
local terms energy: -241.597559
where:
bonds (distance) C4'-P energy: -52.108
bonds (distance) P-C4' energy: -52.274
flat angles C4'-P-C4' energy: -46.558
flat angles P-C4'-P energy: -28.809
tors. eta vs tors. theta energy: -61.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -756.276334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.276334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.276334 (E_RNA)
where:
Base-Base interactions energy: -519.280
where: short stacking energy: -218.354
Base-Backbone interact. energy: -0.778
local terms energy: -236.218983
where:
bonds (distance) C4'-P energy: -50.174
bonds (distance) P-C4' energy: -42.924
flat angles C4'-P-C4' energy: -41.690
flat angles P-C4'-P energy: -34.071
tors. eta vs tors. theta energy: -67.361
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: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -725.326542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.326542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.326542 (E_RNA)
where:
Base-Base interactions energy: -499.683
where: short stacking energy: -229.568
Base-Backbone interact. energy: -0.551
local terms energy: -225.093327
where:
bonds (distance) C4'-P energy: -43.072
bonds (distance) P-C4' energy: -34.879
flat angles C4'-P-C4' energy: -43.417
flat angles P-C4'-P energy: -36.993
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: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -683.724021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.724021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.724021 (E_RNA)
where:
Base-Base interactions energy: -472.622
where: short stacking energy: -203.095
Base-Backbone interact. energy: -1.074
local terms energy: -210.028294
where:
bonds (distance) C4'-P energy: -35.168
bonds (distance) P-C4' energy: -42.723
flat angles C4'-P-C4' energy: -42.765
flat angles P-C4'-P energy: -30.958
tors. eta vs tors. theta energy: -58.415
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: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -657.182827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.182827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.182827 (E_RNA)
where:
Base-Base interactions energy: -438.299
where: short stacking energy: -191.355
Base-Backbone interact. energy: -0.473
local terms energy: -218.411036
where:
bonds (distance) C4'-P energy: -43.810
bonds (distance) P-C4' energy: -43.471
flat angles C4'-P-C4' energy: -48.142
flat angles P-C4'-P energy: -30.472
tors. eta vs tors. theta energy: -52.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -552.208982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.208982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.208982 (E_RNA)
where:
Base-Base interactions energy: -368.763
where: short stacking energy: -171.467
Base-Backbone interact. energy: -1.493
local terms energy: -181.953015
where:
bonds (distance) C4'-P energy: -34.728
bonds (distance) P-C4' energy: -45.760
flat angles C4'-P-C4' energy: -48.414
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -42.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -323.773292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.773292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.773292 (E_RNA)
where:
Base-Base interactions energy: -158.996
where: short stacking energy: -82.863
Base-Backbone interact. energy: -0.903
local terms energy: -163.874319
where:
bonds (distance) C4'-P energy: -42.856
bonds (distance) P-C4' energy: -44.070
flat angles C4'-P-C4' energy: -41.428
flat angles P-C4'-P energy: -30.789
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -276.807814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.807814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.807814 (E_RNA)
where:
Base-Base interactions energy: -142.269
where: short stacking energy: -80.333
Base-Backbone interact. energy: 0.662
local terms energy: -135.201541
where:
bonds (distance) C4'-P energy: -37.020
bonds (distance) P-C4' energy: -39.334
flat angles C4'-P-C4' energy: -34.494
flat angles P-C4'-P energy: -20.832
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -848.460023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.460023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.460023 (E_RNA)
where:
Base-Base interactions energy: -581.849
where: short stacking energy: -252.302
Base-Backbone interact. energy: -0.429
local terms energy: -266.182338
where:
bonds (distance) C4'-P energy: -50.357
bonds (distance) P-C4' energy: -45.143
flat angles C4'-P-C4' energy: -57.540
flat angles P-C4'-P energy: -34.142
tors. eta vs tors. theta energy: -79.000
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: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -821.487676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.487676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.487676 (E_RNA)
where:
Base-Base interactions energy: -583.033
where: short stacking energy: -242.612
Base-Backbone interact. energy: -2.062
local terms energy: -236.392686
where:
bonds (distance) C4'-P energy: -46.210
bonds (distance) P-C4' energy: -46.511
flat angles C4'-P-C4' energy: -44.638
flat angles P-C4'-P energy: -32.790
tors. eta vs tors. theta energy: -66.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -784.640555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.640555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.640555 (E_RNA)
where:
Base-Base interactions energy: -533.916
where: short stacking energy: -219.688
Base-Backbone interact. energy: -0.995
local terms energy: -249.729924
where:
bonds (distance) C4'-P energy: -41.769
bonds (distance) P-C4' energy: -44.893
flat angles C4'-P-C4' energy: -53.129
flat angles P-C4'-P energy: -42.934
tors. eta vs tors. theta energy: -67.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -784.215615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.215615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.215615 (E_RNA)
where:
Base-Base interactions energy: -550.624
where: short stacking energy: -240.524
Base-Backbone interact. energy: -1.579
local terms energy: -232.013128
where:
bonds (distance) C4'-P energy: -42.749
bonds (distance) P-C4' energy: -42.540
flat angles C4'-P-C4' energy: -51.118
flat angles P-C4'-P energy: -29.355
tors. eta vs tors. theta energy: -66.251
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: 5, replica: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -715.898485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.898485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.898485 (E_RNA)
where:
Base-Base interactions energy: -495.301
where: short stacking energy: -206.768
Base-Backbone interact. energy: -1.127
local terms energy: -219.470880
where:
bonds (distance) C4'-P energy: -43.183
bonds (distance) P-C4' energy: -43.228
flat angles C4'-P-C4' energy: -42.445
flat angles P-C4'-P energy: -31.847
tors. eta vs tors. theta energy: -58.769
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: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -674.990920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.990920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.990920 (E_RNA)
where:
Base-Base interactions energy: -460.355
where: short stacking energy: -210.077
Base-Backbone interact. energy: -1.395
local terms energy: -213.240968
where:
bonds (distance) C4'-P energy: -36.532
bonds (distance) P-C4' energy: -41.803
flat angles C4'-P-C4' energy: -44.584
flat angles P-C4'-P energy: -25.903
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: 7, replica: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -665.666181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.666181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.666181 (E_RNA)
where:
Base-Base interactions energy: -445.616
where: short stacking energy: -196.002
Base-Backbone interact. energy: -1.621
local terms energy: -218.428306
where:
bonds (distance) C4'-P energy: -39.830
bonds (distance) P-C4' energy: -42.109
flat angles C4'-P-C4' energy: -47.993
flat angles P-C4'-P energy: -33.150
tors. eta vs tors. theta energy: -55.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -496.791398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.791398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.791398 (E_RNA)
where:
Base-Base interactions energy: -306.004
where: short stacking energy: -149.036
Base-Backbone interact. energy: 0.518
local terms energy: -191.305955
where:
bonds (distance) C4'-P energy: -36.701
bonds (distance) P-C4' energy: -47.857
flat angles C4'-P-C4' energy: -40.171
flat angles P-C4'-P energy: -34.481
tors. eta vs tors. theta energy: -32.095
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: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -318.988828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.988828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.988828 (E_RNA)
where:
Base-Base interactions energy: -172.085
where: short stacking energy: -96.351
Base-Backbone interact. energy: 1.213
local terms energy: -148.117448
where:
bonds (distance) C4'-P energy: -44.813
bonds (distance) P-C4' energy: -45.108
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -27.002
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -325.444431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.444431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.444431 (E_RNA)
where:
Base-Base interactions energy: -189.268
where: short stacking energy: -104.513
Base-Backbone interact. energy: 0.151
local terms energy: -136.328118
where:
bonds (distance) C4'-P energy: -45.237
bonds (distance) P-C4' energy: -38.233
flat angles C4'-P-C4' energy: -35.050
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -850.702948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.702948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.702948 (E_RNA)
where:
Base-Base interactions energy: -585.069
where: short stacking energy: -256.927
Base-Backbone interact. energy: -0.661
local terms energy: -264.973299
where:
bonds (distance) C4'-P energy: -50.044
bonds (distance) P-C4' energy: -51.483
flat angles C4'-P-C4' energy: -52.309
flat angles P-C4'-P energy: -36.543
tors. eta vs tors. theta energy: -74.595
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: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -820.684858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.684858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.684858 (E_RNA)
where:
Base-Base interactions energy: -580.222
where: short stacking energy: -241.255
Base-Backbone interact. energy: -1.102
local terms energy: -239.361456
where:
bonds (distance) C4'-P energy: -35.760
bonds (distance) P-C4' energy: -48.202
flat angles C4'-P-C4' energy: -46.664
flat angles P-C4'-P energy: -36.695
tors. eta vs tors. theta energy: -72.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -770.561188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.561188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.561188 (E_RNA)
where:
Base-Base interactions energy: -514.677
where: short stacking energy: -217.764
Base-Backbone interact. energy: -2.928
local terms energy: -252.956681
where:
bonds (distance) C4'-P energy: -52.125
bonds (distance) P-C4' energy: -53.287
flat angles C4'-P-C4' energy: -49.886
flat angles P-C4'-P energy: -33.244
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: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -791.396115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.396115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.396115 (E_RNA)
where:
Base-Base interactions energy: -559.593
where: short stacking energy: -230.091
Base-Backbone interact. energy: 1.581
local terms energy: -233.384095
where:
bonds (distance) C4'-P energy: -47.492
bonds (distance) P-C4' energy: -41.228
flat angles C4'-P-C4' energy: -48.291
flat angles P-C4'-P energy: -31.235
tors. eta vs tors. theta energy: -65.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -737.457067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.457067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.457067 (E_RNA)
where:
Base-Base interactions energy: -506.076
where: short stacking energy: -219.932
Base-Backbone interact. energy: -2.907
local terms energy: -228.474719
where:
bonds (distance) C4'-P energy: -45.380
bonds (distance) P-C4' energy: -48.762
flat angles C4'-P-C4' energy: -41.959
flat angles P-C4'-P energy: -34.802
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: 6, replica: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -690.427759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.427759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.427759 (E_RNA)
where:
Base-Base interactions energy: -460.275
where: short stacking energy: -202.176
Base-Backbone interact. energy: -0.894
local terms energy: -229.259026
where:
bonds (distance) C4'-P energy: -46.766
bonds (distance) P-C4' energy: -42.729
flat angles C4'-P-C4' energy: -43.050
flat angles P-C4'-P energy: -32.812
tors. eta vs tors. theta energy: -63.902
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: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -660.192063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.192063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.192063 (E_RNA)
where:
Base-Base interactions energy: -448.511
where: short stacking energy: -185.798
Base-Backbone interact. energy: -0.225
local terms energy: -211.455731
where:
bonds (distance) C4'-P energy: -39.149
bonds (distance) P-C4' energy: -39.269
flat angles C4'-P-C4' energy: -43.375
flat angles P-C4'-P energy: -34.974
tors. eta vs tors. theta energy: -54.689
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: 8, replica: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -505.633327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.633327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.633327 (E_RNA)
where:
Base-Base interactions energy: -318.862
where: short stacking energy: -151.337
Base-Backbone interact. energy: -1.618
local terms energy: -185.153161
where:
bonds (distance) C4'-P energy: -38.110
bonds (distance) P-C4' energy: -43.865
flat angles C4'-P-C4' energy: -42.632
flat angles P-C4'-P energy: -28.058
tors. eta vs tors. theta energy: -32.488
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: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -335.871179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.871179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.871179 (E_RNA)
where:
Base-Base interactions energy: -177.218
where: short stacking energy: -97.291
Base-Backbone interact. energy: -1.439
local terms energy: -157.213919
where:
bonds (distance) C4'-P energy: -45.976
bonds (distance) P-C4' energy: -40.975
flat angles C4'-P-C4' energy: -37.704
flat angles P-C4'-P energy: -22.542
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: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -302.189584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.189584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.189584 (E_RNA)
where:
Base-Base interactions energy: -166.579
where: short stacking energy: -100.589
Base-Backbone interact. energy: -1.048
local terms energy: -134.562420
where:
bonds (distance) C4'-P energy: -23.014
bonds (distance) P-C4' energy: -40.218
flat angles C4'-P-C4' energy: -36.264
flat angles P-C4'-P energy: -23.482
tors. eta vs tors. theta energy: -11.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -851.575430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.575430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.575430 (E_RNA)
where:
Base-Base interactions energy: -600.846
where: short stacking energy: -231.498
Base-Backbone interact. energy: -0.635
local terms energy: -250.094584
where:
bonds (distance) C4'-P energy: -47.530
bonds (distance) P-C4' energy: -47.548
flat angles C4'-P-C4' energy: -52.560
flat angles P-C4'-P energy: -31.181
tors. eta vs tors. theta energy: -71.276
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: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -826.922665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.922665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.922665 (E_RNA)
where:
Base-Base interactions energy: -574.636
where: short stacking energy: -251.920
Base-Backbone interact. energy: -0.234
local terms energy: -252.052708
where:
bonds (distance) C4'-P energy: -45.491
bonds (distance) P-C4' energy: -48.158
flat angles C4'-P-C4' energy: -50.544
flat angles P-C4'-P energy: -32.995
tors. eta vs tors. theta energy: -74.865
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: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -764.797437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.797437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.797437 (E_RNA)
where:
Base-Base interactions energy: -538.412
where: short stacking energy: -216.646
Base-Backbone interact. energy: -0.592
local terms energy: -225.794137
where:
bonds (distance) C4'-P energy: -49.505
bonds (distance) P-C4' energy: -40.859
flat angles C4'-P-C4' energy: -47.008
flat angles P-C4'-P energy: -24.929
tors. eta vs tors. theta energy: -63.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -801.459545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.459545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.459545 (E_RNA)
where:
Base-Base interactions energy: -567.193
where: short stacking energy: -238.197
Base-Backbone interact. energy: -2.154
local terms energy: -232.111836
where:
bonds (distance) C4'-P energy: -43.376
bonds (distance) P-C4' energy: -49.299
flat angles C4'-P-C4' energy: -46.733
flat angles P-C4'-P energy: -32.409
tors. eta vs tors. theta energy: -60.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -711.016147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.016147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.016147 (E_RNA)
where:
Base-Base interactions energy: -480.993
where: short stacking energy: -216.925
Base-Backbone interact. energy: -0.736
local terms energy: -229.286880
where:
bonds (distance) C4'-P energy: -47.623
bonds (distance) P-C4' energy: -42.587
flat angles C4'-P-C4' energy: -47.716
flat angles P-C4'-P energy: -31.214
tors. eta vs tors. theta energy: -60.146
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: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -661.995719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.995719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.995719 (E_RNA)
where:
Base-Base interactions energy: -443.501
where: short stacking energy: -193.350
Base-Backbone interact. energy: -1.122
local terms energy: -217.372487
where:
bonds (distance) C4'-P energy: -44.102
bonds (distance) P-C4' energy: -39.533
flat angles C4'-P-C4' energy: -49.990
flat angles P-C4'-P energy: -21.578
tors. eta vs tors. theta energy: -62.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -676.591560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.591560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.591560 (E_RNA)
where:
Base-Base interactions energy: -475.925
where: short stacking energy: -210.239
Base-Backbone interact. energy: 0.297
local terms energy: -200.963250
where:
bonds (distance) C4'-P energy: -49.603
bonds (distance) P-C4' energy: -25.922
flat angles C4'-P-C4' energy: -44.245
flat angles P-C4'-P energy: -28.899
tors. eta vs tors. theta energy: -52.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -520.011560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.011560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.011560 (E_RNA)
where:
Base-Base interactions energy: -356.661
where: short stacking energy: -174.023
Base-Backbone interact. energy: 0.313
local terms energy: -163.663459
where:
bonds (distance) C4'-P energy: -31.070
bonds (distance) P-C4' energy: -37.597
flat angles C4'-P-C4' energy: -43.433
flat angles P-C4'-P energy: -14.585
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: 402
Temperature: 1.300000
Total energy: -325.145510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.145510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.145510 (E_RNA)
where:
Base-Base interactions energy: -173.458
where: short stacking energy: -91.808
Base-Backbone interact. energy: 0.578
local terms energy: -152.265812
where:
bonds (distance) C4'-P energy: -38.661
bonds (distance) P-C4' energy: -45.558
flat angles C4'-P-C4' energy: -34.655
flat angles P-C4'-P energy: -24.523
tors. eta vs tors. theta energy: -8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -302.341841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.341841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.341841 (E_RNA)
where:
Base-Base interactions energy: -172.419
where: short stacking energy: -97.749
Base-Backbone interact. energy: -1.313
local terms energy: -128.610551
where:
bonds (distance) C4'-P energy: -37.706
bonds (distance) P-C4' energy: -34.807
flat angles C4'-P-C4' energy: -36.787
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -852.982649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.982649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.982649 (E_RNA)
where:
Base-Base interactions energy: -605.249
where: short stacking energy: -246.907
Base-Backbone interact. energy: -1.148
local terms energy: -246.585543
where:
bonds (distance) C4'-P energy: -36.891
bonds (distance) P-C4' energy: -50.531
flat angles C4'-P-C4' energy: -51.356
flat angles P-C4'-P energy: -38.272
tors. eta vs tors. theta energy: -69.535
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: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -829.653887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.653887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.653887 (E_RNA)
where:
Base-Base interactions energy: -572.970
where: short stacking energy: -265.326
Base-Backbone interact. energy: 0.346
local terms energy: -257.030319
where:
bonds (distance) C4'-P energy: -43.110
bonds (distance) P-C4' energy: -44.927
flat angles C4'-P-C4' energy: -54.587
flat angles P-C4'-P energy: -38.409
tors. eta vs tors. theta energy: -75.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -783.598713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.598713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.598713 (E_RNA)
where:
Base-Base interactions energy: -549.886
where: short stacking energy: -232.123
Base-Backbone interact. energy: -1.541
local terms energy: -232.172496
where:
bonds (distance) C4'-P energy: -43.167
bonds (distance) P-C4' energy: -39.515
flat angles C4'-P-C4' energy: -48.700
flat angles P-C4'-P energy: -35.296
tors. eta vs tors. theta energy: -65.495
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: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -807.390115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.390115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.390115 (E_RNA)
where:
Base-Base interactions energy: -589.666
where: short stacking energy: -237.412
Base-Backbone interact. energy: -2.213
local terms energy: -215.510359
where:
bonds (distance) C4'-P energy: -37.877
bonds (distance) P-C4' energy: -30.498
flat angles C4'-P-C4' energy: -53.153
flat angles P-C4'-P energy: -33.104
tors. eta vs tors. theta energy: -60.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -703.213667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.213667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.213667 (E_RNA)
where:
Base-Base interactions energy: -469.723
where: short stacking energy: -205.983
Base-Backbone interact. energy: -0.293
local terms energy: -233.198315
where:
bonds (distance) C4'-P energy: -47.017
bonds (distance) P-C4' energy: -48.351
flat angles C4'-P-C4' energy: -46.584
flat angles P-C4'-P energy: -30.064
tors. eta vs tors. theta energy: -61.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -671.725688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.725688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.725688 (E_RNA)
where:
Base-Base interactions energy: -449.022
where: short stacking energy: -203.446
Base-Backbone interact. energy: -1.012
local terms energy: -221.691539
where:
bonds (distance) C4'-P energy: -48.245
bonds (distance) P-C4' energy: -37.428
flat angles C4'-P-C4' energy: -45.747
flat angles P-C4'-P energy: -34.315
tors. eta vs tors. theta energy: -55.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -655.885242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.885242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.885242 (E_RNA)
where:
Base-Base interactions energy: -441.558
where: short stacking energy: -198.218
Base-Backbone interact. energy: -0.307
local terms energy: -214.020339
where:
bonds (distance) C4'-P energy: -42.106
bonds (distance) P-C4' energy: -43.155
flat angles C4'-P-C4' energy: -51.537
flat angles P-C4'-P energy: -23.227
tors. eta vs tors. theta energy: -53.995
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: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -541.888741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.888741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.888741 (E_RNA)
where:
Base-Base interactions energy: -352.896
where: short stacking energy: -174.531
Base-Backbone interact. energy: -0.821
local terms energy: -188.171539
where:
bonds (distance) C4'-P energy: -50.640
bonds (distance) P-C4' energy: -34.241
flat angles C4'-P-C4' energy: -38.275
flat angles P-C4'-P energy: -21.113
tors. eta vs tors. theta energy: -43.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -366.439519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.439519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.439519 (E_RNA)
where:
Base-Base interactions energy: -223.858
where: short stacking energy: -113.812
Base-Backbone interact. energy: -0.724
local terms energy: -141.857615
where:
bonds (distance) C4'-P energy: -36.207
bonds (distance) P-C4' energy: -39.153
flat angles C4'-P-C4' energy: -31.039
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: -12.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -356.687509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.687509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.687509 (E_RNA)
where:
Base-Base interactions energy: -191.488
where: short stacking energy: -103.598
Base-Backbone interact. energy: -1.363
local terms energy: -163.837116
where:
bonds (distance) C4'-P energy: -39.661
bonds (distance) P-C4' energy: -45.190
flat angles C4'-P-C4' energy: -44.070
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -17.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -853.789383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.789383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.789383 (E_RNA)
where:
Base-Base interactions energy: -596.850
where: short stacking energy: -247.950
Base-Backbone interact. energy: -2.178
local terms energy: -254.761167
where:
bonds (distance) C4'-P energy: -49.827
bonds (distance) P-C4' energy: -47.207
flat angles C4'-P-C4' energy: -49.132
flat angles P-C4'-P energy: -37.075
tors. eta vs tors. theta energy: -71.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -842.380791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.380791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.380791 (E_RNA)
where:
Base-Base interactions energy: -579.680
where: short stacking energy: -236.774
Base-Backbone interact. energy: -0.270
local terms energy: -262.430239
where:
bonds (distance) C4'-P energy: -47.430
bonds (distance) P-C4' energy: -47.210
flat angles C4'-P-C4' energy: -58.043
flat angles P-C4'-P energy: -40.792
tors. eta vs tors. theta energy: -68.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -771.622478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.622478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.622478 (E_RNA)
where:
Base-Base interactions energy: -532.638
where: short stacking energy: -227.702
Base-Backbone interact. energy: -0.855
local terms energy: -238.129478
where:
bonds (distance) C4'-P energy: -44.347
bonds (distance) P-C4' energy: -41.962
flat angles C4'-P-C4' energy: -55.732
flat angles P-C4'-P energy: -27.428
tors. eta vs tors. theta energy: -68.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -784.959547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.959547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.959547 (E_RNA)
where:
Base-Base interactions energy: -553.169
where: short stacking energy: -218.017
Base-Backbone interact. energy: -0.924
local terms energy: -230.866811
where:
bonds (distance) C4'-P energy: -40.133
bonds (distance) P-C4' energy: -42.785
flat angles C4'-P-C4' energy: -51.227
flat angles P-C4'-P energy: -30.593
tors. eta vs tors. theta energy: -66.128
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: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -701.863269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.863269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.863269 (E_RNA)
where:
Base-Base interactions energy: -487.999
where: short stacking energy: -213.331
Base-Backbone interact. energy: -0.486
local terms energy: -213.378478
where:
bonds (distance) C4'-P energy: -40.213
bonds (distance) P-C4' energy: -44.904
flat angles C4'-P-C4' energy: -39.461
flat angles P-C4'-P energy: -28.688
tors. eta vs tors. theta energy: -60.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -647.746978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.746978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.746978 (E_RNA)
where:
Base-Base interactions energy: -437.469
where: short stacking energy: -192.231
Base-Backbone interact. energy: -1.121
local terms energy: -209.157725
where:
bonds (distance) C4'-P energy: -43.158
bonds (distance) P-C4' energy: -40.541
flat angles C4'-P-C4' energy: -48.416
flat angles P-C4'-P energy: -29.095
tors. eta vs tors. theta energy: -47.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -672.680681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.680681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.680681 (E_RNA)
where:
Base-Base interactions energy: -461.664
where: short stacking energy: -214.191
Base-Backbone interact. energy: -0.513
local terms energy: -210.503446
where:
bonds (distance) C4'-P energy: -43.835
bonds (distance) P-C4' energy: -36.639
flat angles C4'-P-C4' energy: -45.046
flat angles P-C4'-P energy: -33.435
tors. eta vs tors. theta energy: -51.549
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: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -530.820815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.820815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.820815 (E_RNA)
where:
Base-Base interactions energy: -354.238
where: short stacking energy: -162.487
Base-Backbone interact. energy: -0.344
local terms energy: -176.238868
where:
bonds (distance) C4'-P energy: -35.888
bonds (distance) P-C4' energy: -27.652
flat angles C4'-P-C4' energy: -42.041
flat angles P-C4'-P energy: -28.076
tors. eta vs tors. theta energy: -42.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -398.467813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.467813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.467813 (E_RNA)
where:
Base-Base interactions energy: -227.983
where: short stacking energy: -115.309
Base-Backbone interact. energy: -1.299
local terms energy: -169.186208
where:
bonds (distance) C4'-P energy: -34.872
bonds (distance) P-C4' energy: -51.142
flat angles C4'-P-C4' energy: -46.935
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -364.997394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.997394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.997394 (E_RNA)
where:
Base-Base interactions energy: -189.002
where: short stacking energy: -96.262
Base-Backbone interact. energy: -0.474
local terms energy: -175.521442
where:
bonds (distance) C4'-P energy: -42.506
bonds (distance) P-C4' energy: -49.211
flat angles C4'-P-C4' energy: -38.156
flat angles P-C4'-P energy: -27.170
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: 1, replica: 8
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -853.283496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.283496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.283496 (E_RNA)
where:
Base-Base interactions energy: -606.733
where: short stacking energy: -247.275
Base-Backbone interact. energy: -1.400
local terms energy: -245.149738
where:
bonds (distance) C4'-P energy: -43.877
bonds (distance) P-C4' energy: -41.637
flat angles C4'-P-C4' energy: -51.657
flat angles P-C4'-P energy: -38.063
tors. eta vs tors. theta energy: -69.916
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: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -829.397664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.397664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.397664 (E_RNA)
where:
Base-Base interactions energy: -574.406
where: short stacking energy: -244.940
Base-Backbone interact. energy: -0.591
local terms energy: -254.400439
where:
bonds (distance) C4'-P energy: -44.729
bonds (distance) P-C4' energy: -44.870
flat angles C4'-P-C4' energy: -50.627
flat angles P-C4'-P energy: -38.611
tors. eta vs tors. theta energy: -75.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -779.089856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.089856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.089856 (E_RNA)
where:
Base-Base interactions energy: -535.141
where: short stacking energy: -220.716
Base-Backbone interact. energy: -1.727
local terms energy: -242.222154
where:
bonds (distance) C4'-P energy: -47.753
bonds (distance) P-C4' energy: -43.745
flat angles C4'-P-C4' energy: -51.299
flat angles P-C4'-P energy: -34.471
tors. eta vs tors. theta energy: -64.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -807.476488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.476488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.476488 (E_RNA)
where:
Base-Base interactions energy: -573.104
where: short stacking energy: -236.613
Base-Backbone interact. energy: -0.547
local terms energy: -233.825427
where:
bonds (distance) C4'-P energy: -34.859
bonds (distance) P-C4' energy: -48.757
flat angles C4'-P-C4' energy: -53.118
flat angles P-C4'-P energy: -27.640
tors. eta vs tors. theta energy: -69.451
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: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -712.090232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.090232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.090232 (E_RNA)
where:
Base-Base interactions energy: -501.910
where: short stacking energy: -219.318
Base-Backbone interact. energy: -1.012
local terms energy: -209.168277
where:
bonds (distance) C4'-P energy: -38.032
bonds (distance) P-C4' energy: -42.316
flat angles C4'-P-C4' energy: -36.653
flat angles P-C4'-P energy: -29.793
tors. eta vs tors. theta energy: -62.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -675.678117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.678117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.678117 (E_RNA)
where:
Base-Base interactions energy: -456.510
where: short stacking energy: -203.370
Base-Backbone interact. energy: -0.568
local terms energy: -218.599892
where:
bonds (distance) C4'-P energy: -50.257
bonds (distance) P-C4' energy: -38.213
flat angles C4'-P-C4' energy: -49.138
flat angles P-C4'-P energy: -25.881
tors. eta vs tors. theta energy: -55.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -642.615694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.615694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.615694 (E_RNA)
where:
Base-Base interactions energy: -444.618
where: short stacking energy: -202.446
Base-Backbone interact. energy: -0.274
local terms energy: -197.723561
where:
bonds (distance) C4'-P energy: -40.884
bonds (distance) P-C4' energy: -35.792
flat angles C4'-P-C4' energy: -44.986
flat angles P-C4'-P energy: -28.011
tors. eta vs tors. theta energy: -48.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -502.778815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.778815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.778815 (E_RNA)
where:
Base-Base interactions energy: -308.709
where: short stacking energy: -148.849
Base-Backbone interact. energy: 0.017
local terms energy: -194.086980
where:
bonds (distance) C4'-P energy: -44.795
bonds (distance) P-C4' energy: -45.388
flat angles C4'-P-C4' energy: -43.718
flat angles P-C4'-P energy: -24.001
tors. eta vs tors. theta energy: -36.185
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: 9, replica: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -398.108874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.108874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.108874 (E_RNA)
where:
Base-Base interactions energy: -239.764
where: short stacking energy: -101.643
Base-Backbone interact. energy: -0.513
local terms energy: -157.831815
where:
bonds (distance) C4'-P energy: -29.832
bonds (distance) P-C4' energy: -46.470
flat angles C4'-P-C4' energy: -44.095
flat angles P-C4'-P energy: -25.976
tors. eta vs tors. theta energy: -11.459
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: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -347.979013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.979013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.979013 (E_RNA)
where:
Base-Base interactions energy: -190.758
where: short stacking energy: -94.374
Base-Backbone interact. energy: 1.261
local terms energy: -158.481319
where:
bonds (distance) C4'-P energy: -38.218
bonds (distance) P-C4' energy: -45.316
flat angles C4'-P-C4' energy: -43.274
flat angles P-C4'-P energy: -25.375
tors. eta vs tors. theta energy: -6.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -867.588985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.588985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.588985 (E_RNA)
where:
Base-Base interactions energy: -615.186
where: short stacking energy: -255.434
Base-Backbone interact. energy: -1.722
local terms energy: -250.680883
where:
bonds (distance) C4'-P energy: -42.355
bonds (distance) P-C4' energy: -45.068
flat angles C4'-P-C4' energy: -55.681
flat angles P-C4'-P energy: -37.727
tors. eta vs tors. theta energy: -69.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -821.394469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.394469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.394469 (E_RNA)
where:
Base-Base interactions energy: -556.501
where: short stacking energy: -250.758
Base-Backbone interact. energy: -1.153
local terms energy: -263.740616
where:
bonds (distance) C4'-P energy: -47.666
bonds (distance) P-C4' energy: -51.746
flat angles C4'-P-C4' energy: -48.268
flat angles P-C4'-P energy: -39.837
tors. eta vs tors. theta energy: -76.223
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: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -829.200189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.200189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.200189 (E_RNA)
where:
Base-Base interactions energy: -585.327
where: short stacking energy: -230.418
Base-Backbone interact. energy: 0.341
local terms energy: -244.213838
where:
bonds (distance) C4'-P energy: -40.403
bonds (distance) P-C4' energy: -47.971
flat angles C4'-P-C4' energy: -54.728
flat angles P-C4'-P energy: -37.531
tors. eta vs tors. theta energy: -63.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -753.865021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.865021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.865021 (E_RNA)
where:
Base-Base interactions energy: -527.877
where: short stacking energy: -222.368
Base-Backbone interact. energy: -0.238
local terms energy: -225.750439
where:
bonds (distance) C4'-P energy: -35.656
bonds (distance) P-C4' energy: -47.798
flat angles C4'-P-C4' energy: -50.030
flat angles P-C4'-P energy: -34.453
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: 5, replica: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -687.520413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.520413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.520413 (E_RNA)
where:
Base-Base interactions energy: -472.580
where: short stacking energy: -219.356
Base-Backbone interact. energy: -0.197
local terms energy: -214.743382
where:
bonds (distance) C4'-P energy: -37.706
bonds (distance) P-C4' energy: -39.805
flat angles C4'-P-C4' energy: -44.873
flat angles P-C4'-P energy: -29.240
tors. eta vs tors. theta energy: -63.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -696.815643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.815643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.815643 (E_RNA)
where:
Base-Base interactions energy: -471.887
where: short stacking energy: -195.208
Base-Backbone interact. energy: 1.957
local terms energy: -226.886062
where:
bonds (distance) C4'-P energy: -48.986
bonds (distance) P-C4' energy: -42.866
flat angles C4'-P-C4' energy: -50.446
flat angles P-C4'-P energy: -32.109
tors. eta vs tors. theta energy: -52.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -623.791420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.791420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.791420 (E_RNA)
where:
Base-Base interactions energy: -434.277
where: short stacking energy: -202.706
Base-Backbone interact. energy: 0.616
local terms energy: -190.130738
where:
bonds (distance) C4'-P energy: -28.117
bonds (distance) P-C4' energy: -41.888
flat angles C4'-P-C4' energy: -46.194
flat angles P-C4'-P energy: -31.630
tors. eta vs tors. theta energy: -42.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -508.730304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.730304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.730304 (E_RNA)
where:
Base-Base interactions energy: -320.085
where: short stacking energy: -154.953
Base-Backbone interact. energy: -0.882
local terms energy: -187.763246
where:
bonds (distance) C4'-P energy: -31.544
bonds (distance) P-C4' energy: -45.429
flat angles C4'-P-C4' energy: -42.056
flat angles P-C4'-P energy: -33.801
tors. eta vs tors. theta energy: -34.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -399.357128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.357128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.357128 (E_RNA)
where:
Base-Base interactions energy: -235.683
where: short stacking energy: -110.002
Base-Backbone interact. energy: 0.460
local terms energy: -164.133884
where:
bonds (distance) C4'-P energy: -37.273
bonds (distance) P-C4' energy: -44.458
flat angles C4'-P-C4' energy: -40.174
flat angles P-C4'-P energy: -27.270
tors. eta vs tors. theta energy: -14.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -332.768314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.768314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.768314 (E_RNA)
where:
Base-Base interactions energy: -188.172
where: short stacking energy: -103.267
Base-Backbone interact. energy: -0.474
local terms energy: -144.122856
where:
bonds (distance) C4'-P energy: -34.845
bonds (distance) P-C4' energy: -35.696
flat angles C4'-P-C4' energy: -40.172
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -7.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -847.633551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.633551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.633551 (E_RNA)
where:
Base-Base interactions energy: -612.864
where: short stacking energy: -244.252
Base-Backbone interact. energy: 2.678
local terms energy: -237.448421
where:
bonds (distance) C4'-P energy: -39.900
bonds (distance) P-C4' energy: -42.337
flat angles C4'-P-C4' energy: -51.964
flat angles P-C4'-P energy: -33.605
tors. eta vs tors. theta energy: -69.642
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: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -821.484515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.484515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.484515 (E_RNA)
where:
Base-Base interactions energy: -561.507
where: short stacking energy: -257.435
Base-Backbone interact. energy: -0.058
local terms energy: -259.919400
where:
bonds (distance) C4'-P energy: -40.304
bonds (distance) P-C4' energy: -56.163
flat angles C4'-P-C4' energy: -53.770
flat angles P-C4'-P energy: -33.079
tors. eta vs tors. theta energy: -76.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -805.010053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.010053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.010053 (E_RNA)
where:
Base-Base interactions energy: -564.508
where: short stacking energy: -226.538
Base-Backbone interact. energy: 0.309
local terms energy: -240.811730
where:
bonds (distance) C4'-P energy: -47.431
bonds (distance) P-C4' energy: -44.747
flat angles C4'-P-C4' energy: -53.783
flat angles P-C4'-P energy: -28.547
tors. eta vs tors. theta energy: -66.305
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: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -760.932699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.932699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.932699 (E_RNA)
where:
Base-Base interactions energy: -539.041
where: short stacking energy: -227.084
Base-Backbone interact. energy: -0.309
local terms energy: -221.582795
where:
bonds (distance) C4'-P energy: -41.461
bonds (distance) P-C4' energy: -38.524
flat angles C4'-P-C4' energy: -50.229
flat angles P-C4'-P energy: -26.431
tors. eta vs tors. theta energy: -64.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -713.442993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.442993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.442993 (E_RNA)
where:
Base-Base interactions energy: -487.850
where: short stacking energy: -226.568
Base-Backbone interact. energy: -0.861
local terms energy: -224.732096
where:
bonds (distance) C4'-P energy: -40.906
bonds (distance) P-C4' energy: -43.774
flat angles C4'-P-C4' energy: -54.864
flat angles P-C4'-P energy: -31.398
tors. eta vs tors. theta energy: -53.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -699.670205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.670205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.670205 (E_RNA)
where:
Base-Base interactions energy: -486.717
where: short stacking energy: -208.744
Base-Backbone interact. energy: -0.737
local terms energy: -212.216335
where:
bonds (distance) C4'-P energy: -34.117
bonds (distance) P-C4' energy: -32.981
flat angles C4'-P-C4' energy: -53.626
flat angles P-C4'-P energy: -33.723
tors. eta vs tors. theta energy: -57.770
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: 7
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -604.998856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.998856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.998856 (E_RNA)
where:
Base-Base interactions energy: -396.013
where: short stacking energy: -170.318
Base-Backbone interact. energy: -3.140
local terms energy: -205.846113
where:
bonds (distance) C4'-P energy: -36.194
bonds (distance) P-C4' energy: -47.101
flat angles C4'-P-C4' energy: -46.826
flat angles P-C4'-P energy: -34.598
tors. eta vs tors. theta energy: -41.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -517.661377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.661377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.661377 (E_RNA)
where:
Base-Base interactions energy: -323.045
where: short stacking energy: -166.974
Base-Backbone interact. energy: -0.914
local terms energy: -193.702743
where:
bonds (distance) C4'-P energy: -46.044
bonds (distance) P-C4' energy: -40.721
flat angles C4'-P-C4' energy: -51.229
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -41.248
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: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -427.195141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.195141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.195141 (E_RNA)
where:
Base-Base interactions energy: -265.675
where: short stacking energy: -120.446
Base-Backbone interact. energy: -1.098
local terms energy: -160.421738
where:
bonds (distance) C4'-P energy: -42.565
bonds (distance) P-C4' energy: -32.385
flat angles C4'-P-C4' energy: -44.279
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: -20.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -219.512388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.512388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.512388 (E_RNA)
where:
Base-Base interactions energy: -97.533
where: short stacking energy: -83.135
Base-Backbone interact. energy: 1.022
local terms energy: -123.001247
where:
bonds (distance) C4'-P energy: -21.406
bonds (distance) P-C4' energy: -41.038
flat angles C4'-P-C4' energy: -31.323
flat angles P-C4'-P energy: -24.472
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -846.822049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.822049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.822049 (E_RNA)
where:
Base-Base interactions energy: -611.018
where: short stacking energy: -245.326
Base-Backbone interact. energy: 0.624
local terms energy: -236.427540
where:
bonds (distance) C4'-P energy: -33.582
bonds (distance) P-C4' energy: -40.043
flat angles C4'-P-C4' energy: -53.530
flat angles P-C4'-P energy: -40.482
tors. eta vs tors. theta energy: -68.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -824.036459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.036459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.036459 (E_RNA)
where:
Base-Base interactions energy: -571.494
where: short stacking energy: -249.023
Base-Backbone interact. energy: -0.099
local terms energy: -252.443953
where:
bonds (distance) C4'-P energy: -43.550
bonds (distance) P-C4' energy: -49.899
flat angles C4'-P-C4' energy: -47.962
flat angles P-C4'-P energy: -39.568
tors. eta vs tors. theta energy: -71.465
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: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -808.158377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.158377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.158377 (E_RNA)
where:
Base-Base interactions energy: -579.532
where: short stacking energy: -224.183
Base-Backbone interact. energy: 0.904
local terms energy: -229.529583
where:
bonds (distance) C4'-P energy: -42.701
bonds (distance) P-C4' energy: -48.446
flat angles C4'-P-C4' energy: -47.967
flat angles P-C4'-P energy: -27.417
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: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -763.077760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.077760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.077760 (E_RNA)
where:
Base-Base interactions energy: -526.248
where: short stacking energy: -220.727
Base-Backbone interact. energy: 0.430
local terms energy: -237.259068
where:
bonds (distance) C4'-P energy: -43.198
bonds (distance) P-C4' energy: -40.858
flat angles C4'-P-C4' energy: -50.694
flat angles P-C4'-P energy: -35.945
tors. eta vs tors. theta energy: -66.564
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: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -738.549657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.549657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.549657 (E_RNA)
where:
Base-Base interactions energy: -502.268
where: short stacking energy: -225.274
Base-Backbone interact. energy: -0.583
local terms energy: -235.698637
where:
bonds (distance) C4'-P energy: -45.890
bonds (distance) P-C4' energy: -42.918
flat angles C4'-P-C4' energy: -50.568
flat angles P-C4'-P energy: -30.020
tors. eta vs tors. theta energy: -66.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -681.075772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.075772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.075772 (E_RNA)
where:
Base-Base interactions energy: -481.334
where: short stacking energy: -224.548
Base-Backbone interact. energy: -1.027
local terms energy: -198.715341
where:
bonds (distance) C4'-P energy: -35.359
bonds (distance) P-C4' energy: -28.303
flat angles C4'-P-C4' energy: -44.005
flat angles P-C4'-P energy: -30.763
tors. eta vs tors. theta energy: -60.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -629.435291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.435291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.435291 (E_RNA)
where:
Base-Base interactions energy: -445.819
where: short stacking energy: -192.517
Base-Backbone interact. energy: -0.888
local terms energy: -182.728207
where:
bonds (distance) C4'-P energy: -29.123
bonds (distance) P-C4' energy: -25.923
flat angles C4'-P-C4' energy: -49.509
flat angles P-C4'-P energy: -27.278
tors. eta vs tors. theta energy: -50.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -483.851027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.851027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.851027 (E_RNA)
where:
Base-Base interactions energy: -325.320
where: short stacking energy: -160.870
Base-Backbone interact. energy: 2.588
local terms energy: -161.118595
where:
bonds (distance) C4'-P energy: -29.511
bonds (distance) P-C4' energy: -42.104
flat angles C4'-P-C4' energy: -30.426
flat angles P-C4'-P energy: -30.425
tors. eta vs tors. theta energy: -28.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -394.437236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.437236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.437236 (E_RNA)
where:
Base-Base interactions energy: -235.540
where: short stacking energy: -126.076
Base-Backbone interact. energy: 1.130
local terms energy: -160.027084
where:
bonds (distance) C4'-P energy: -21.915
bonds (distance) P-C4' energy: -41.539
flat angles C4'-P-C4' energy: -43.691
flat angles P-C4'-P energy: -24.960
tors. eta vs tors. theta energy: -27.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -253.424638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.424638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.424638 (E_RNA)
where:
Base-Base interactions energy: -103.561
where: short stacking energy: -66.761
Base-Backbone interact. energy: -1.661
local terms energy: -148.202794
where:
bonds (distance) C4'-P energy: -47.392
bonds (distance) P-C4' energy: -40.167
flat angles C4'-P-C4' energy: -34.431
flat angles P-C4'-P energy: -21.148
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -845.679445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.679445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.679445 (E_RNA)
where:
Base-Base interactions energy: -606.505
where: short stacking energy: -240.418
Base-Backbone interact. energy: -0.242
local terms energy: -238.932330
where:
bonds (distance) C4'-P energy: -41.471
bonds (distance) P-C4' energy: -44.634
flat angles C4'-P-C4' energy: -54.430
flat angles P-C4'-P energy: -33.252
tors. eta vs tors. theta energy: -65.145
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: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -838.323415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.323415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.323415 (E_RNA)
where:
Base-Base interactions energy: -582.215
where: short stacking energy: -255.279
Base-Backbone interact. energy: -0.739
local terms energy: -255.369463
where:
bonds (distance) C4'-P energy: -42.520
bonds (distance) P-C4' energy: -46.372
flat angles C4'-P-C4' energy: -47.929
flat angles P-C4'-P energy: -39.590
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: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -791.392641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.392641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.392641 (E_RNA)
where:
Base-Base interactions energy: -558.518
where: short stacking energy: -235.132
Base-Backbone interact. energy: -0.257
local terms energy: -232.617698
where:
bonds (distance) C4'-P energy: -46.495
bonds (distance) P-C4' energy: -41.026
flat angles C4'-P-C4' energy: -49.623
flat angles P-C4'-P energy: -30.573
tors. eta vs tors. theta energy: -64.900
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: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -753.927523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.927523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.927523 (E_RNA)
where:
Base-Base interactions energy: -534.249
where: short stacking energy: -228.805
Base-Backbone interact. energy: 0.365
local terms energy: -220.043687
where:
bonds (distance) C4'-P energy: -36.969
bonds (distance) P-C4' energy: -45.818
flat angles C4'-P-C4' energy: -40.819
flat angles P-C4'-P energy: -34.078
tors. eta vs tors. theta energy: -62.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -754.974197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.974197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.974197 (E_RNA)
where:
Base-Base interactions energy: -527.393
where: short stacking energy: -233.398
Base-Backbone interact. energy: -1.489
local terms energy: -226.092974
where:
bonds (distance) C4'-P energy: -38.688
bonds (distance) P-C4' energy: -39.992
flat angles C4'-P-C4' energy: -47.241
flat angles P-C4'-P energy: -34.972
tors. eta vs tors. theta energy: -65.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -661.237279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.237279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.237279 (E_RNA)
where:
Base-Base interactions energy: -436.798
where: short stacking energy: -192.188
Base-Backbone interact. energy: -0.941
local terms energy: -223.498480
where:
bonds (distance) C4'-P energy: -46.190
bonds (distance) P-C4' energy: -44.847
flat angles C4'-P-C4' energy: -48.171
flat angles P-C4'-P energy: -28.687
tors. eta vs tors. theta energy: -55.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -669.670776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.670776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.670776 (E_RNA)
where:
Base-Base interactions energy: -460.524
where: short stacking energy: -189.830
Base-Backbone interact. energy: -2.248
local terms energy: -206.898839
where:
bonds (distance) C4'-P energy: -48.270
bonds (distance) P-C4' energy: -45.213
flat angles C4'-P-C4' energy: -37.390
flat angles P-C4'-P energy: -31.669
tors. eta vs tors. theta energy: -44.357
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: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -523.574636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.574636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.574636 (E_RNA)
where:
Base-Base interactions energy: -349.451
where: short stacking energy: -167.183
Base-Backbone interact. energy: -0.365
local terms energy: -173.758768
where:
bonds (distance) C4'-P energy: -33.853
bonds (distance) P-C4' energy: -34.328
flat angles C4'-P-C4' energy: -36.381
flat angles P-C4'-P energy: -20.627
tors. eta vs tors. theta energy: -48.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -399.072927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.072927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.072927 (E_RNA)
where:
Base-Base interactions energy: -221.369
where: short stacking energy: -123.595
Base-Backbone interact. energy: -0.625
local terms energy: -177.079056
where:
bonds (distance) C4'-P energy: -42.370
bonds (distance) P-C4' energy: -44.058
flat angles C4'-P-C4' energy: -45.330
flat angles P-C4'-P energy: -19.187
tors. eta vs tors. theta energy: -26.135
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: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -282.526763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.526763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.526763 (E_RNA)
where:
Base-Base interactions energy: -154.978
where: short stacking energy: -88.652
Base-Backbone interact. energy: 3.381
local terms energy: -130.929844
where:
bonds (distance) C4'-P energy: -38.109
bonds (distance) P-C4' energy: -36.418
flat angles C4'-P-C4' energy: -37.422
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -863.527353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.527353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.527353 (E_RNA)
where:
Base-Base interactions energy: -612.819
where: short stacking energy: -241.671
Base-Backbone interact. energy: -1.800
local terms energy: -248.908553
where:
bonds (distance) C4'-P energy: -34.167
bonds (distance) P-C4' energy: -48.933
flat angles C4'-P-C4' energy: -52.565
flat angles P-C4'-P energy: -41.278
tors. eta vs tors. theta energy: -71.966
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: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -826.323167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.323167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.323167 (E_RNA)
where:
Base-Base interactions energy: -567.800
where: short stacking energy: -245.613
Base-Backbone interact. energy: -0.161
local terms energy: -258.362067
where:
bonds (distance) C4'-P energy: -47.161
bonds (distance) P-C4' energy: -48.237
flat angles C4'-P-C4' energy: -48.298
flat angles P-C4'-P energy: -40.172
tors. eta vs tors. theta energy: -74.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -808.400883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.400883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.400883 (E_RNA)
where:
Base-Base interactions energy: -570.888
where: short stacking energy: -234.626
Base-Backbone interact. energy: -2.793
local terms energy: -234.719913
where:
bonds (distance) C4'-P energy: -40.934
bonds (distance) P-C4' energy: -47.729
flat angles C4'-P-C4' energy: -51.511
flat angles P-C4'-P energy: -30.308
tors. eta vs tors. theta energy: -64.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -760.871889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.871889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.871889 (E_RNA)
where:
Base-Base interactions energy: -528.981
where: short stacking energy: -235.537
Base-Backbone interact. energy: -0.999
local terms energy: -230.891492
where:
bonds (distance) C4'-P energy: -34.203
bonds (distance) P-C4' energy: -42.081
flat angles C4'-P-C4' energy: -54.360
flat angles P-C4'-P energy: -31.633
tors. eta vs tors. theta energy: -68.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -745.313500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.313500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.313500 (E_RNA)
where:
Base-Base interactions energy: -517.912
where: short stacking energy: -217.918
Base-Backbone interact. energy: 1.031
local terms energy: -228.432647
where:
bonds (distance) C4'-P energy: -35.195
bonds (distance) P-C4' energy: -49.429
flat angles C4'-P-C4' energy: -49.639
flat angles P-C4'-P energy: -36.052
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: 7
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -665.569386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.569386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.569386 (E_RNA)
where:
Base-Base interactions energy: -442.805
where: short stacking energy: -210.314
Base-Backbone interact. energy: -0.280
local terms energy: -222.484950
where:
bonds (distance) C4'-P energy: -43.362
bonds (distance) P-C4' energy: -42.333
flat angles C4'-P-C4' energy: -48.843
flat angles P-C4'-P energy: -27.885
tors. eta vs tors. theta energy: -60.062
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: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -677.739666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.739666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.739666 (E_RNA)
where:
Base-Base interactions energy: -462.775
where: short stacking energy: -195.154
Base-Backbone interact. energy: 1.083
local terms energy: -216.048073
where:
bonds (distance) C4'-P energy: -46.664
bonds (distance) P-C4' energy: -39.877
flat angles C4'-P-C4' energy: -51.963
flat angles P-C4'-P energy: -30.244
tors. eta vs tors. theta energy: -47.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -539.702243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.702243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.702243 (E_RNA)
where:
Base-Base interactions energy: -361.684
where: short stacking energy: -149.124
Base-Backbone interact. energy: -0.554
local terms energy: -177.464622
where:
bonds (distance) C4'-P energy: -36.523
bonds (distance) P-C4' energy: -37.949
flat angles C4'-P-C4' energy: -37.183
flat angles P-C4'-P energy: -32.335
tors. eta vs tors. theta energy: -33.474
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: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -365.653467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.653467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.653467 (E_RNA)
where:
Base-Base interactions energy: -222.901
where: short stacking energy: -111.922
Base-Backbone interact. energy: -0.406
local terms energy: -142.346798
where:
bonds (distance) C4'-P energy: -30.819
bonds (distance) P-C4' energy: -40.920
flat angles C4'-P-C4' energy: -35.509
flat angles P-C4'-P energy: -25.881
tors. eta vs tors. theta energy: -9.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -281.921381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.921381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.921381 (E_RNA)
where:
Base-Base interactions energy: -141.191
where: short stacking energy: -75.400
Base-Backbone interact. energy: 1.199
local terms energy: -141.929424
where:
bonds (distance) C4'-P energy: -36.991
bonds (distance) P-C4' energy: -37.602
flat angles C4'-P-C4' energy: -35.329
flat angles P-C4'-P energy: -20.934
tors. eta vs tors. theta energy: -11.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -855.479790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.479790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.479790 (E_RNA)
where:
Base-Base interactions energy: -605.489
where: short stacking energy: -244.266
Base-Backbone interact. energy: -1.113
local terms energy: -248.877674
where:
bonds (distance) C4'-P energy: -43.629
bonds (distance) P-C4' energy: -50.485
flat angles C4'-P-C4' energy: -49.210
flat angles P-C4'-P energy: -38.391
tors. eta vs tors. theta energy: -67.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -812.772438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.772438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.772438 (E_RNA)
where:
Base-Base interactions energy: -581.506
where: short stacking energy: -233.789
Base-Backbone interact. energy: -1.947
local terms energy: -229.319395
where:
bonds (distance) C4'-P energy: -46.965
bonds (distance) P-C4' energy: -40.002
flat angles C4'-P-C4' energy: -53.969
flat angles P-C4'-P energy: -27.768
tors. eta vs tors. theta energy: -60.616
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: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -806.918404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.918404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.918404 (E_RNA)
where:
Base-Base interactions energy: -562.976
where: short stacking energy: -234.035
Base-Backbone interact. energy: -0.258
local terms energy: -243.683929
where:
bonds (distance) C4'-P energy: -43.894
bonds (distance) P-C4' energy: -50.516
flat angles C4'-P-C4' energy: -51.118
flat angles P-C4'-P energy: -26.173
tors. eta vs tors. theta energy: -71.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -756.168171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.168171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.168171 (E_RNA)
where:
Base-Base interactions energy: -530.259
where: short stacking energy: -224.277
Base-Backbone interact. energy: -0.930
local terms energy: -224.979441
where:
bonds (distance) C4'-P energy: -37.577
bonds (distance) P-C4' energy: -41.962
flat angles C4'-P-C4' energy: -49.325
flat angles P-C4'-P energy: -40.768
tors. eta vs tors. theta energy: -55.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -720.894305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.894305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.894305 (E_RNA)
where:
Base-Base interactions energy: -506.235
where: short stacking energy: -216.107
Base-Backbone interact. energy: 5.147
local terms energy: -219.807175
where:
bonds (distance) C4'-P energy: -47.620
bonds (distance) P-C4' energy: -41.648
flat angles C4'-P-C4' energy: -41.708
flat angles P-C4'-P energy: -35.337
tors. eta vs tors. theta energy: -53.494
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: 6, replica: 3
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -708.606628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.606628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.606628 (E_RNA)
where:
Base-Base interactions energy: -496.149
where: short stacking energy: -221.215
Base-Backbone interact. energy: -0.794
local terms energy: -211.664159
where:
bonds (distance) C4'-P energy: -43.277
bonds (distance) P-C4' energy: -42.680
flat angles C4'-P-C4' energy: -51.425
flat angles P-C4'-P energy: -26.360
tors. eta vs tors. theta energy: -47.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -631.324431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.324431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.324431 (E_RNA)
where:
Base-Base interactions energy: -424.289
where: short stacking energy: -189.478
Base-Backbone interact. energy: -1.172
local terms energy: -205.863034
where:
bonds (distance) C4'-P energy: -39.099
bonds (distance) P-C4' energy: -43.400
flat angles C4'-P-C4' energy: -45.151
flat angles P-C4'-P energy: -25.833
tors. eta vs tors. theta energy: -52.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -539.426117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.426117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.426117 (E_RNA)
where:
Base-Base interactions energy: -366.826
where: short stacking energy: -163.616
Base-Backbone interact. energy: -1.268
local terms energy: -171.331412
where:
bonds (distance) C4'-P energy: -24.638
bonds (distance) P-C4' energy: -44.901
flat angles C4'-P-C4' energy: -44.555
flat angles P-C4'-P energy: -20.836
tors. eta vs tors. theta energy: -36.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -374.078347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.078347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.078347 (E_RNA)
where:
Base-Base interactions energy: -195.104
where: short stacking energy: -103.727
Base-Backbone interact. energy: -0.350
local terms energy: -178.624063
where:
bonds (distance) C4'-P energy: -47.622
bonds (distance) P-C4' energy: -44.184
flat angles C4'-P-C4' energy: -44.814
flat angles P-C4'-P energy: -27.296
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -315.400555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.400555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.400555 (E_RNA)
where:
Base-Base interactions energy: -180.922
where: short stacking energy: -91.299
Base-Backbone interact. energy: -0.571
local terms energy: -133.907043
where:
bonds (distance) C4'-P energy: -31.059
bonds (distance) P-C4' energy: -41.020
flat angles C4'-P-C4' energy: -31.703
flat angles P-C4'-P energy: -23.009
tors. eta vs tors. theta energy: -7.117
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: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -846.091291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.091291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.091291 (E_RNA)
where:
Base-Base interactions energy: -590.760
where: short stacking energy: -242.785
Base-Backbone interact. energy: -0.491
local terms energy: -254.840225
where:
bonds (distance) C4'-P energy: -50.187
bonds (distance) P-C4' energy: -47.015
flat angles C4'-P-C4' energy: -52.345
flat angles P-C4'-P energy: -29.344
tors. eta vs tors. theta energy: -75.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -832.627685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.627685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.627685 (E_RNA)
where:
Base-Base interactions energy: -590.473
where: short stacking energy: -226.696
Base-Backbone interact. energy: 0.016
local terms energy: -242.170402
where:
bonds (distance) C4'-P energy: -40.172
bonds (distance) P-C4' energy: -50.948
flat angles C4'-P-C4' energy: -51.094
flat angles P-C4'-P energy: -35.858
tors. eta vs tors. theta energy: -64.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -813.755289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.755289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.755289 (E_RNA)
where:
Base-Base interactions energy: -559.143
where: short stacking energy: -246.350
Base-Backbone interact. energy: -0.804
local terms energy: -253.808275
where:
bonds (distance) C4'-P energy: -47.595
bonds (distance) P-C4' energy: -45.871
flat angles C4'-P-C4' energy: -51.683
flat angles P-C4'-P energy: -34.264
tors. eta vs tors. theta energy: -74.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -755.799399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.799399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.799399 (E_RNA)
where:
Base-Base interactions energy: -535.407
where: short stacking energy: -219.110
Base-Backbone interact. energy: -0.597
local terms energy: -219.794958
where:
bonds (distance) C4'-P energy: -34.009
bonds (distance) P-C4' energy: -47.511
flat angles C4'-P-C4' energy: -38.991
flat angles P-C4'-P energy: -30.972
tors. eta vs tors. theta energy: -68.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -747.094389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.094389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.094389 (E_RNA)
where:
Base-Base interactions energy: -517.595
where: short stacking energy: -235.811
Base-Backbone interact. energy: -1.205
local terms energy: -228.294414
where:
bonds (distance) C4'-P energy: -39.546
bonds (distance) P-C4' energy: -39.671
flat angles C4'-P-C4' energy: -55.396
flat angles P-C4'-P energy: -27.106
tors. eta vs tors. theta energy: -66.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -703.279410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.279410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.279410 (E_RNA)
where:
Base-Base interactions energy: -497.401
where: short stacking energy: -213.502
Base-Backbone interact. energy: -1.155
local terms energy: -204.723240
where:
bonds (distance) C4'-P energy: -35.939
bonds (distance) P-C4' energy: -42.475
flat angles C4'-P-C4' energy: -47.990
flat angles P-C4'-P energy: -32.413
tors. eta vs tors. theta energy: -45.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -632.887217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.887217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.887217 (E_RNA)
where:
Base-Base interactions energy: -423.831
where: short stacking energy: -191.877
Base-Backbone interact. energy: -0.694
local terms energy: -208.362931
where:
bonds (distance) C4'-P energy: -42.709
bonds (distance) P-C4' energy: -39.909
flat angles C4'-P-C4' energy: -45.494
flat angles P-C4'-P energy: -32.213
tors. eta vs tors. theta energy: -48.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -556.489988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.489988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.489988 (E_RNA)
where:
Base-Base interactions energy: -368.353
where: short stacking energy: -164.432
Base-Backbone interact. energy: -0.393
local terms energy: -187.743931
where:
bonds (distance) C4'-P energy: -31.651
bonds (distance) P-C4' energy: -34.443
flat angles C4'-P-C4' energy: -40.204
flat angles P-C4'-P energy: -35.422
tors. eta vs tors. theta energy: -46.024
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: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -380.770834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.770834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.770834 (E_RNA)
where:
Base-Base interactions energy: -236.354
where: short stacking energy: -119.247
Base-Backbone interact. energy: 0.064
local terms energy: -144.480861
where:
bonds (distance) C4'-P energy: -42.372
bonds (distance) P-C4' energy: -29.478
flat angles C4'-P-C4' energy: -32.429
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -27.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -310.103910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.103910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.103910 (E_RNA)
where:
Base-Base interactions energy: -181.974
where: short stacking energy: -95.333
Base-Backbone interact. energy: -2.246
local terms energy: -125.884018
where:
bonds (distance) C4'-P energy: -43.649
bonds (distance) P-C4' energy: -37.508
flat angles C4'-P-C4' energy: -28.904
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -8.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -852.289308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.289308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.289308 (E_RNA)
where:
Base-Base interactions energy: -596.243
where: short stacking energy: -243.318
Base-Backbone interact. energy: -1.507
local terms energy: -254.539351
where:
bonds (distance) C4'-P energy: -49.094
bonds (distance) P-C4' energy: -42.483
flat angles C4'-P-C4' energy: -53.806
flat angles P-C4'-P energy: -36.677
tors. eta vs tors. theta energy: -72.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -817.034273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.034273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.034273 (E_RNA)
where:
Base-Base interactions energy: -553.234
where: short stacking energy: -245.525
Base-Backbone interact. energy: -0.653
local terms energy: -263.147671
where:
bonds (distance) C4'-P energy: -50.171
bonds (distance) P-C4' energy: -48.114
flat angles C4'-P-C4' energy: -51.396
flat angles P-C4'-P energy: -36.645
tors. eta vs tors. theta energy: -76.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -802.098623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.098623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.098623 (E_RNA)
where:
Base-Base interactions energy: -551.975
where: short stacking energy: -228.315
Base-Backbone interact. energy: -0.349
local terms energy: -249.774113
where:
bonds (distance) C4'-P energy: -46.809
bonds (distance) P-C4' energy: -46.686
flat angles C4'-P-C4' energy: -56.478
flat angles P-C4'-P energy: -40.072
tors. eta vs tors. theta energy: -59.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -763.415553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.415553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.415553 (E_RNA)
where:
Base-Base interactions energy: -517.391
where: short stacking energy: -225.152
Base-Backbone interact. energy: -0.412
local terms energy: -245.612353
where:
bonds (distance) C4'-P energy: -40.595
bonds (distance) P-C4' energy: -53.138
flat angles C4'-P-C4' energy: -48.382
flat angles P-C4'-P energy: -35.698
tors. eta vs tors. theta energy: -67.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -733.704387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.704387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.704387 (E_RNA)
where:
Base-Base interactions energy: -496.945
where: short stacking energy: -214.221
Base-Backbone interact. energy: 0.917
local terms energy: -237.677157
where:
bonds (distance) C4'-P energy: -32.420
bonds (distance) P-C4' energy: -52.705
flat angles C4'-P-C4' energy: -47.501
flat angles P-C4'-P energy: -38.737
tors. eta vs tors. theta energy: -66.314
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: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -718.043153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.043153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.043153 (E_RNA)
where:
Base-Base interactions energy: -487.451
where: short stacking energy: -206.083
Base-Backbone interact. energy: 2.363
local terms energy: -232.955747
where:
bonds (distance) C4'-P energy: -41.388
bonds (distance) P-C4' energy: -55.065
flat angles C4'-P-C4' energy: -47.436
flat angles P-C4'-P energy: -35.425
tors. eta vs tors. theta energy: -53.641
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: 7
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -654.274799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.274799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.274799 (E_RNA)
where:
Base-Base interactions energy: -447.231
where: short stacking energy: -193.612
Base-Backbone interact. energy: -2.067
local terms energy: -204.976728
where:
bonds (distance) C4'-P energy: -37.511
bonds (distance) P-C4' energy: -44.437
flat angles C4'-P-C4' energy: -46.651
flat angles P-C4'-P energy: -28.467
tors. eta vs tors. theta energy: -47.911
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: 2
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -493.634716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.634716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.634716 (E_RNA)
where:
Base-Base interactions energy: -313.636
where: short stacking energy: -138.423
Base-Backbone interact. energy: -0.966
local terms energy: -179.032559
where:
bonds (distance) C4'-P energy: -42.646
bonds (distance) P-C4' energy: -41.104
flat angles C4'-P-C4' energy: -35.012
flat angles P-C4'-P energy: -34.298
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: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -378.867352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.867352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.867352 (E_RNA)
where:
Base-Base interactions energy: -226.608
where: short stacking energy: -119.689
Base-Backbone interact. energy: -0.258
local terms energy: -152.001378
where:
bonds (distance) C4'-P energy: -36.150
bonds (distance) P-C4' energy: -32.917
flat angles C4'-P-C4' energy: -40.091
flat angles P-C4'-P energy: -23.898
tors. eta vs tors. theta energy: -18.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -334.866085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.866085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.866085 (E_RNA)
where:
Base-Base interactions energy: -178.351
where: short stacking energy: -92.034
Base-Backbone interact. energy: 0.183
local terms energy: -156.698144
where:
bonds (distance) C4'-P energy: -44.220
bonds (distance) P-C4' energy: -37.373
flat angles C4'-P-C4' energy: -40.474
flat angles P-C4'-P energy: -20.476
tors. eta vs tors. theta energy: -14.155
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: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -864.712910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.712910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.712910 (E_RNA)
where:
Base-Base interactions energy: -607.479
where: short stacking energy: -239.774
Base-Backbone interact. energy: -1.272
local terms energy: -255.961964
where:
bonds (distance) C4'-P energy: -46.316
bonds (distance) P-C4' energy: -50.030
flat angles C4'-P-C4' energy: -52.910
flat angles P-C4'-P energy: -34.192
tors. eta vs tors. theta energy: -72.513
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: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -818.925843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.925843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.925843 (E_RNA)
where:
Base-Base interactions energy: -574.184
where: short stacking energy: -249.519
Base-Backbone interact. energy: -0.421
local terms energy: -244.321500
where:
bonds (distance) C4'-P energy: -41.157
bonds (distance) P-C4' energy: -46.890
flat angles C4'-P-C4' energy: -50.640
flat angles P-C4'-P energy: -33.530
tors. eta vs tors. theta energy: -72.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -799.426700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.426700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.426700 (E_RNA)
where:
Base-Base interactions energy: -556.928
where: short stacking energy: -247.350
Base-Backbone interact. energy: -0.408
local terms energy: -242.090697
where:
bonds (distance) C4'-P energy: -39.150
bonds (distance) P-C4' energy: -44.712
flat angles C4'-P-C4' energy: -50.143
flat angles P-C4'-P energy: -36.305
tors. eta vs tors. theta energy: -71.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -738.778667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.778667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.778667 (E_RNA)
where:
Base-Base interactions energy: -522.013
where: short stacking energy: -225.250
Base-Backbone interact. energy: -0.717
local terms energy: -216.049193
where:
bonds (distance) C4'-P energy: -37.259
bonds (distance) P-C4' energy: -39.866
flat angles C4'-P-C4' energy: -50.074
flat angles P-C4'-P energy: -30.407
tors. eta vs tors. theta energy: -58.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -719.706234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.706234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.706234 (E_RNA)
where:
Base-Base interactions energy: -512.129
where: short stacking energy: -198.653
Base-Backbone interact. energy: -1.202
local terms energy: -206.375222
where:
bonds (distance) C4'-P energy: -34.264
bonds (distance) P-C4' energy: -40.748
flat angles C4'-P-C4' energy: -49.096
flat angles P-C4'-P energy: -32.420
tors. eta vs tors. theta energy: -49.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -721.448422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.448422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.448422 (E_RNA)
where:
Base-Base interactions energy: -496.907
where: short stacking energy: -217.369
Base-Backbone interact. energy: -0.783
local terms energy: -223.758563
where:
bonds (distance) C4'-P energy: -40.643
bonds (distance) P-C4' energy: -43.328
flat angles C4'-P-C4' energy: -47.566
flat angles P-C4'-P energy: -30.449
tors. eta vs tors. theta energy: -61.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -663.577849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.577849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.577849 (E_RNA)
where:
Base-Base interactions energy: -451.195
where: short stacking energy: -210.249
Base-Backbone interact. energy: 0.241
local terms energy: -212.623665
where:
bonds (distance) C4'-P energy: -32.523
bonds (distance) P-C4' energy: -42.035
flat angles C4'-P-C4' energy: -47.739
flat angles P-C4'-P energy: -34.139
tors. eta vs tors. theta energy: -56.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -514.455416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.455416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.455416 (E_RNA)
where:
Base-Base interactions energy: -324.782
where: short stacking energy: -144.262
Base-Backbone interact. energy: 0.268
local terms energy: -189.941401
where:
bonds (distance) C4'-P energy: -44.651
bonds (distance) P-C4' energy: -37.915
flat angles C4'-P-C4' energy: -39.871
flat angles P-C4'-P energy: -33.210
tors. eta vs tors. theta energy: -34.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -397.653642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.653642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.653642 (E_RNA)
where:
Base-Base interactions energy: -215.399
where: short stacking energy: -101.649
Base-Backbone interact. energy: 0.243
local terms energy: -182.497471
where:
bonds (distance) C4'-P energy: -51.019
bonds (distance) P-C4' energy: -48.644
flat angles C4'-P-C4' energy: -38.239
flat angles P-C4'-P energy: -29.374
tors. eta vs tors. theta energy: -15.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -281.079562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.079562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.079562 (E_RNA)
where:
Base-Base interactions energy: -146.935
where: short stacking energy: -86.742
Base-Backbone interact. energy: 0.843
local terms energy: -134.986646
where:
bonds (distance) C4'-P energy: -31.834
bonds (distance) P-C4' energy: -44.464
flat angles C4'-P-C4' energy: -36.356
flat angles P-C4'-P energy: -21.102
tors. eta vs tors. theta energy: -1.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -857.626963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.626963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.626963 (E_RNA)
where:
Base-Base interactions energy: -601.851
where: short stacking energy: -247.507
Base-Backbone interact. energy: 0.221
local terms energy: -255.996971
where:
bonds (distance) C4'-P energy: -46.987
bonds (distance) P-C4' energy: -49.201
flat angles C4'-P-C4' energy: -49.959
flat angles P-C4'-P energy: -39.319
tors. eta vs tors. theta energy: -70.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -817.714343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.714343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.714343 (E_RNA)
where:
Base-Base interactions energy: -586.654
where: short stacking energy: -232.126
Base-Backbone interact. energy: -0.706
local terms energy: -230.354768
where:
bonds (distance) C4'-P energy: -50.275
bonds (distance) P-C4' energy: -40.996
flat angles C4'-P-C4' energy: -42.148
flat angles P-C4'-P energy: -35.977
tors. eta vs tors. theta energy: -60.959
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: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -786.128539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.128539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.128539 (E_RNA)
where:
Base-Base interactions energy: -541.281
where: short stacking energy: -236.295
Base-Backbone interact. energy: -0.873
local terms energy: -243.973888
where:
bonds (distance) C4'-P energy: -45.613
bonds (distance) P-C4' energy: -38.854
flat angles C4'-P-C4' energy: -56.962
flat angles P-C4'-P energy: -30.788
tors. eta vs tors. theta energy: -71.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -759.605244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.605244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.605244 (E_RNA)
where:
Base-Base interactions energy: -523.259
where: short stacking energy: -216.116
Base-Backbone interact. energy: 0.584
local terms energy: -236.930844
where:
bonds (distance) C4'-P energy: -45.546
bonds (distance) P-C4' energy: -45.140
flat angles C4'-P-C4' energy: -51.902
flat angles P-C4'-P energy: -32.143
tors. eta vs tors. theta energy: -62.200
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: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -710.998792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.998792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.998792 (E_RNA)
where:
Base-Base interactions energy: -498.320
where: short stacking energy: -210.381
Base-Backbone interact. energy: -0.645
local terms energy: -212.033735
where:
bonds (distance) C4'-P energy: -34.906
bonds (distance) P-C4' energy: -42.774
flat angles C4'-P-C4' energy: -44.906
flat angles P-C4'-P energy: -36.769
tors. eta vs tors. theta energy: -52.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -693.773693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.773693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.773693 (E_RNA)
where:
Base-Base interactions energy: -478.774
where: short stacking energy: -209.356
Base-Backbone interact. energy: 0.682
local terms energy: -215.682250
where:
bonds (distance) C4'-P energy: -39.680
bonds (distance) P-C4' energy: -37.667
flat angles C4'-P-C4' energy: -50.998
flat angles P-C4'-P energy: -26.502
tors. eta vs tors. theta energy: -60.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -654.575213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.575213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.575213 (E_RNA)
where:
Base-Base interactions energy: -446.323
where: short stacking energy: -196.933
Base-Backbone interact. energy: -0.561
local terms energy: -207.690904
where:
bonds (distance) C4'-P energy: -32.495
bonds (distance) P-C4' energy: -37.046
flat angles C4'-P-C4' energy: -48.885
flat angles P-C4'-P energy: -35.601
tors. eta vs tors. theta energy: -53.664
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: 8, replica: 2
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -526.549382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.549382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.549382 (E_RNA)
where:
Base-Base interactions energy: -346.488
where: short stacking energy: -161.786
Base-Backbone interact. energy: -0.690
local terms energy: -179.370520
where:
bonds (distance) C4'-P energy: -29.857
bonds (distance) P-C4' energy: -35.609
flat angles C4'-P-C4' energy: -43.539
flat angles P-C4'-P energy: -24.142
tors. eta vs tors. theta energy: -46.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -416.419228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.419228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.419228 (E_RNA)
where:
Base-Base interactions energy: -245.433
where: short stacking energy: -106.832
Base-Backbone interact. energy: -1.946
local terms energy: -169.040144
where:
bonds (distance) C4'-P energy: -34.814
bonds (distance) P-C4' energy: -43.378
flat angles C4'-P-C4' energy: -41.312
flat angles P-C4'-P energy: -21.387
tors. eta vs tors. theta energy: -28.150
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: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -317.248295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.248295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.248295 (E_RNA)
where:
Base-Base interactions energy: -154.333
where: short stacking energy: -95.439
Base-Backbone interact. energy: -0.854
local terms energy: -162.060620
where:
bonds (distance) C4'-P energy: -43.276
bonds (distance) P-C4' energy: -44.666
flat angles C4'-P-C4' energy: -33.299
flat angles P-C4'-P energy: -28.298
tors. eta vs tors. theta energy: -12.522
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: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -841.903054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.903054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.903054 (E_RNA)
where:
Base-Base interactions energy: -600.041
where: short stacking energy: -237.832
Base-Backbone interact. energy: -1.035
local terms energy: -240.826869
where:
bonds (distance) C4'-P energy: -43.045
bonds (distance) P-C4' energy: -47.584
flat angles C4'-P-C4' energy: -46.617
flat angles P-C4'-P energy: -36.734
tors. eta vs tors. theta energy: -66.847
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: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -842.619170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.619170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.619170 (E_RNA)
where:
Base-Base interactions energy: -588.041
where: short stacking energy: -239.216
Base-Backbone interact. energy: -1.728
local terms energy: -252.850091
where:
bonds (distance) C4'-P energy: -48.142
bonds (distance) P-C4' energy: -49.328
flat angles C4'-P-C4' energy: -50.229
flat angles P-C4'-P energy: -34.416
tors. eta vs tors. theta energy: -70.735
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: 3, replica: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -810.684792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.684792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.684792 (E_RNA)
where:
Base-Base interactions energy: -570.749
where: short stacking energy: -265.372
Base-Backbone interact. energy: -0.455
local terms energy: -239.480989
where:
bonds (distance) C4'-P energy: -38.886
bonds (distance) P-C4' energy: -44.402
flat angles C4'-P-C4' energy: -52.657
flat angles P-C4'-P energy: -29.762
tors. eta vs tors. theta energy: -73.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -741.095687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.095687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.095687 (E_RNA)
where:
Base-Base interactions energy: -520.425
where: short stacking energy: -218.357
Base-Backbone interact. energy: -0.835
local terms energy: -219.835933
where:
bonds (distance) C4'-P energy: -46.055
bonds (distance) P-C4' energy: -37.379
flat angles C4'-P-C4' energy: -49.621
flat angles P-C4'-P energy: -27.188
tors. eta vs tors. theta energy: -59.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -733.570580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.570580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.570580 (E_RNA)
where:
Base-Base interactions energy: -507.560
where: short stacking energy: -210.776
Base-Backbone interact. energy: -1.567
local terms energy: -224.444296
where:
bonds (distance) C4'-P energy: -39.966
bonds (distance) P-C4' energy: -41.016
flat angles C4'-P-C4' energy: -45.203
flat angles P-C4'-P energy: -37.855
tors. eta vs tors. theta energy: -60.404
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: 416
Temperature: 1.150000
Total energy: -662.821072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.821072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.821072 (E_RNA)
where:
Base-Base interactions energy: -441.643
where: short stacking energy: -202.034
Base-Backbone interact. energy: -0.446
local terms energy: -220.732711
where:
bonds (distance) C4'-P energy: -49.076
bonds (distance) P-C4' energy: -47.345
flat angles C4'-P-C4' energy: -37.300
flat angles P-C4'-P energy: -34.059
tors. eta vs tors. theta energy: -52.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -661.757850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.757850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.757850 (E_RNA)
where:
Base-Base interactions energy: -444.153
where: short stacking energy: -195.375
Base-Backbone interact. energy: -2.389
local terms energy: -215.216200
where:
bonds (distance) C4'-P energy: -39.540
bonds (distance) P-C4' energy: -44.839
flat angles C4'-P-C4' energy: -49.984
flat angles P-C4'-P energy: -23.847
tors. eta vs tors. theta energy: -57.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -528.443403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.443403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.443403 (E_RNA)
where:
Base-Base interactions energy: -337.929
where: short stacking energy: -163.867
Base-Backbone interact. energy: 2.288
local terms energy: -192.802020
where:
bonds (distance) C4'-P energy: -40.575
bonds (distance) P-C4' energy: -43.575
flat angles C4'-P-C4' energy: -42.639
flat angles P-C4'-P energy: -29.762
tors. eta vs tors. theta energy: -36.251
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: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -390.749487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.749487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.749487 (E_RNA)
where:
Base-Base interactions energy: -224.793
where: short stacking energy: -122.853
Base-Backbone interact. energy: -1.360
local terms energy: -164.596001
where:
bonds (distance) C4'-P energy: -41.255
bonds (distance) P-C4' energy: -44.145
flat angles C4'-P-C4' energy: -34.933
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: -23.272
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: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -271.605615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.605615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.605615 (E_RNA)
where:
Base-Base interactions energy: -127.210
where: short stacking energy: -71.646
Base-Backbone interact. energy: 1.455
local terms energy: -145.851039
where:
bonds (distance) C4'-P energy: -40.183
bonds (distance) P-C4' energy: -41.415
flat angles C4'-P-C4' energy: -39.315
flat angles P-C4'-P energy: -23.650
tors. eta vs tors. theta energy: -1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -838.280872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.280872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.280872 (E_RNA)
where:
Base-Base interactions energy: -593.887
where: short stacking energy: -240.272
Base-Backbone interact. energy: -0.430
local terms energy: -243.964346
where:
bonds (distance) C4'-P energy: -44.102
bonds (distance) P-C4' energy: -44.144
flat angles C4'-P-C4' energy: -54.884
flat angles P-C4'-P energy: -35.822
tors. eta vs tors. theta energy: -65.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -835.075233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.075233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.075233 (E_RNA)
where:
Base-Base interactions energy: -584.594
where: short stacking energy: -240.679
Base-Backbone interact. energy: -1.170
local terms energy: -249.311638
where:
bonds (distance) C4'-P energy: -44.524
bonds (distance) P-C4' energy: -39.103
flat angles C4'-P-C4' energy: -56.852
flat angles P-C4'-P energy: -40.963
tors. eta vs tors. theta energy: -67.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -813.592008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.592008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.592008 (E_RNA)
where:
Base-Base interactions energy: -561.404
where: short stacking energy: -254.094
Base-Backbone interact. energy: -1.458
local terms energy: -250.730052
where:
bonds (distance) C4'-P energy: -45.820
bonds (distance) P-C4' energy: -46.228
flat angles C4'-P-C4' energy: -49.544
flat angles P-C4'-P energy: -32.312
tors. eta vs tors. theta energy: -76.827
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: 417
Temperature: 1.050000
Total energy: -745.233966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.233966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.233966 (E_RNA)
where:
Base-Base interactions energy: -515.657
where: short stacking energy: -221.938
Base-Backbone interact. energy: 0.521
local terms energy: -230.098674
where:
bonds (distance) C4'-P energy: -46.362
bonds (distance) P-C4' energy: -43.144
flat angles C4'-P-C4' energy: -52.146
flat angles P-C4'-P energy: -30.805
tors. eta vs tors. theta energy: -57.641
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: 5, replica: 3
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -734.741319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.741319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.741319 (E_RNA)
where:
Base-Base interactions energy: -506.860
where: short stacking energy: -203.845
Base-Backbone interact. energy: -1.190
local terms energy: -226.690631
where:
bonds (distance) C4'-P energy: -49.068
bonds (distance) P-C4' energy: -38.447
flat angles C4'-P-C4' energy: -53.171
flat angles P-C4'-P energy: -38.151
tors. eta vs tors. theta energy: -47.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -672.889980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.889980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.889980 (E_RNA)
where:
Base-Base interactions energy: -469.977
where: short stacking energy: -192.232
Base-Backbone interact. energy: -1.548
local terms energy: -201.365411
where:
bonds (distance) C4'-P energy: -36.526
bonds (distance) P-C4' energy: -39.079
flat angles C4'-P-C4' energy: -42.203
flat angles P-C4'-P energy: -34.005
tors. eta vs tors. theta energy: -49.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -622.292435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.292435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.292435 (E_RNA)
where:
Base-Base interactions energy: -415.501
where: short stacking energy: -183.062
Base-Backbone interact. energy: -1.115
local terms energy: -205.676735
where:
bonds (distance) C4'-P energy: -40.799
bonds (distance) P-C4' energy: -45.530
flat angles C4'-P-C4' energy: -45.355
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: -50.284
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: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -506.295880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.295880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.295880 (E_RNA)
where:
Base-Base interactions energy: -313.456
where: short stacking energy: -155.203
Base-Backbone interact. energy: -0.536
local terms energy: -192.303348
where:
bonds (distance) C4'-P energy: -40.930
bonds (distance) P-C4' energy: -39.140
flat angles C4'-P-C4' energy: -49.869
flat angles P-C4'-P energy: -24.445
tors. eta vs tors. theta energy: -37.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -400.136954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.136954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.136954 (E_RNA)
where:
Base-Base interactions energy: -236.067
where: short stacking energy: -121.864
Base-Backbone interact. energy: -0.840
local terms energy: -163.229904
where:
bonds (distance) C4'-P energy: -27.394
bonds (distance) P-C4' energy: -48.150
flat angles C4'-P-C4' energy: -44.249
flat angles P-C4'-P energy: -16.674
tors. eta vs tors. theta energy: -26.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -290.457130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.457130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.457130 (E_RNA)
where:
Base-Base interactions energy: -170.518
where: short stacking energy: -84.490
Base-Backbone interact. energy: -1.185
local terms energy: -118.754326
where:
bonds (distance) C4'-P energy: -38.728
bonds (distance) P-C4' energy: -42.472
flat angles C4'-P-C4' energy: -30.614
flat angles P-C4'-P energy: -0.461
tors. eta vs tors. theta energy: -6.480
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: 8
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -855.312676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.312676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.312676 (E_RNA)
where:
Base-Base interactions energy: -603.179
where: short stacking energy: -256.072
Base-Backbone interact. energy: -0.501
local terms energy: -251.632988
where:
bonds (distance) C4'-P energy: -46.506
bonds (distance) P-C4' energy: -44.974
flat angles C4'-P-C4' energy: -53.024
flat angles P-C4'-P energy: -36.720
tors. eta vs tors. theta energy: -70.410
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: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -813.274860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.274860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.274860 (E_RNA)
where:
Base-Base interactions energy: -588.609
where: short stacking energy: -239.367
Base-Backbone interact. energy: -0.558
local terms energy: -224.107859
where:
bonds (distance) C4'-P energy: -40.428
bonds (distance) P-C4' energy: -52.348
flat angles C4'-P-C4' energy: -46.556
flat angles P-C4'-P energy: -21.453
tors. eta vs tors. theta energy: -63.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -804.005490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.005490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.005490 (E_RNA)
where:
Base-Base interactions energy: -557.915
where: short stacking energy: -237.330
Base-Backbone interact. energy: 3.417
local terms energy: -249.507342
where:
bonds (distance) C4'-P energy: -46.325
bonds (distance) P-C4' energy: -39.584
flat angles C4'-P-C4' energy: -57.072
flat angles P-C4'-P energy: -37.174
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: 4, replica: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -727.560950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.560950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.560950 (E_RNA)
where:
Base-Base interactions energy: -494.806
where: short stacking energy: -203.766
Base-Backbone interact. energy: -0.233
local terms energy: -232.522107
where:
bonds (distance) C4'-P energy: -39.188
bonds (distance) P-C4' energy: -44.389
flat angles C4'-P-C4' energy: -53.577
flat angles P-C4'-P energy: -34.767
tors. eta vs tors. theta energy: -60.602
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: 5, replica: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -734.711653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.711653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.711653 (E_RNA)
where:
Base-Base interactions energy: -511.323
where: short stacking energy: -225.237
Base-Backbone interact. energy: -0.442
local terms energy: -222.947272
where:
bonds (distance) C4'-P energy: -41.754
bonds (distance) P-C4' energy: -37.143
flat angles C4'-P-C4' energy: -53.470
flat angles P-C4'-P energy: -32.827
tors. eta vs tors. theta energy: -57.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -675.510248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.510248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.510248 (E_RNA)
where:
Base-Base interactions energy: -472.647
where: short stacking energy: -189.489
Base-Backbone interact. energy: -1.783
local terms energy: -201.080247
where:
bonds (distance) C4'-P energy: -45.025
bonds (distance) P-C4' energy: -40.842
flat angles C4'-P-C4' energy: -47.422
flat angles P-C4'-P energy: -24.330
tors. eta vs tors. theta energy: -43.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -626.988639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.988639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.988639 (E_RNA)
where:
Base-Base interactions energy: -413.634
where: short stacking energy: -181.077
Base-Backbone interact. energy: -0.426
local terms energy: -212.928697
where:
bonds (distance) C4'-P energy: -39.952
bonds (distance) P-C4' energy: -43.474
flat angles C4'-P-C4' energy: -46.741
flat angles P-C4'-P energy: -34.429
tors. eta vs tors. theta energy: -48.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -519.149506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.149506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.149506 (E_RNA)
where:
Base-Base interactions energy: -342.731
where: short stacking energy: -165.265
Base-Backbone interact. energy: 0.255
local terms energy: -176.674138
where:
bonds (distance) C4'-P energy: -31.348
bonds (distance) P-C4' energy: -41.531
flat angles C4'-P-C4' energy: -41.411
flat angles P-C4'-P energy: -24.509
tors. eta vs tors. theta energy: -37.875
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: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -390.869297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.869297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.869297 (E_RNA)
where:
Base-Base interactions energy: -236.606
where: short stacking energy: -114.772
Base-Backbone interact. energy: 0.425
local terms energy: -154.688011
where:
bonds (distance) C4'-P energy: -36.303
bonds (distance) P-C4' energy: -47.282
flat angles C4'-P-C4' energy: -42.267
flat angles P-C4'-P energy: -26.086
tors. eta vs tors. theta energy: -2.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -299.683252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.683252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.683252 (E_RNA)
where:
Base-Base interactions energy: -163.589
where: short stacking energy: -101.450
Base-Backbone interact. energy: -0.562
local terms energy: -135.532282
where:
bonds (distance) C4'-P energy: -35.129
bonds (distance) P-C4' energy: -41.282
flat angles C4'-P-C4' energy: -32.275
flat angles P-C4'-P energy: -19.109
tors. eta vs tors. theta energy: -7.737
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: 8
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -859.718815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.718815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.718815 (E_RNA)
where:
Base-Base interactions energy: -601.866
where: short stacking energy: -238.400
Base-Backbone interact. energy: -1.069
local terms energy: -256.783598
where:
bonds (distance) C4'-P energy: -50.542
bonds (distance) P-C4' energy: -46.839
flat angles C4'-P-C4' energy: -49.476
flat angles P-C4'-P energy: -38.583
tors. eta vs tors. theta energy: -71.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -815.253758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.253758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.253758 (E_RNA)
where:
Base-Base interactions energy: -567.299
where: short stacking energy: -234.570
Base-Backbone interact. energy: 1.040
local terms energy: -248.994338
where:
bonds (distance) C4'-P energy: -50.276
bonds (distance) P-C4' energy: -49.578
flat angles C4'-P-C4' energy: -51.802
flat angles P-C4'-P energy: -37.853
tors. eta vs tors. theta energy: -59.485
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: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -818.730139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.730139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.730139 (E_RNA)
where:
Base-Base interactions energy: -592.558
where: short stacking energy: -236.191
Base-Backbone interact. energy: -0.197
local terms energy: -225.975138
where:
bonds (distance) C4'-P energy: -37.770
bonds (distance) P-C4' energy: -36.554
flat angles C4'-P-C4' energy: -49.801
flat angles P-C4'-P energy: -32.408
tors. eta vs tors. theta energy: -69.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -758.075599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.075599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.075599 (E_RNA)
where:
Base-Base interactions energy: -540.335
where: short stacking energy: -236.407
Base-Backbone interact. energy: 0.269
local terms energy: -218.009277
where:
bonds (distance) C4'-P energy: -35.950
bonds (distance) P-C4' energy: -43.850
flat angles C4'-P-C4' energy: -43.849
flat angles P-C4'-P energy: -36.560
tors. eta vs tors. theta energy: -57.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -706.247494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.247494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.247494 (E_RNA)
where:
Base-Base interactions energy: -494.506
where: short stacking energy: -197.323
Base-Backbone interact. energy: -0.324
local terms energy: -211.418196
where:
bonds (distance) C4'-P energy: -31.224
bonds (distance) P-C4' energy: -49.862
flat angles C4'-P-C4' energy: -45.338
flat angles P-C4'-P energy: -34.765
tors. eta vs tors. theta energy: -50.229
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: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -710.487424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.487424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.487424 (E_RNA)
where:
Base-Base interactions energy: -482.300
where: short stacking energy: -190.680
Base-Backbone interact. energy: -1.468
local terms energy: -226.719072
where:
bonds (distance) C4'-P energy: -38.208
bonds (distance) P-C4' energy: -47.086
flat angles C4'-P-C4' energy: -49.334
flat angles P-C4'-P energy: -35.661
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: 7, replica: 7
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -635.657038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.657038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.657038 (E_RNA)
where:
Base-Base interactions energy: -441.122
where: short stacking energy: -191.303
Base-Backbone interact. energy: 1.634
local terms energy: -196.168966
where:
bonds (distance) C4'-P energy: -37.150
bonds (distance) P-C4' energy: -34.408
flat angles C4'-P-C4' energy: -46.561
flat angles P-C4'-P energy: -30.535
tors. eta vs tors. theta energy: -47.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -411.881075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.881075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.881075 (E_RNA)
where:
Base-Base interactions energy: -254.733
where: short stacking energy: -136.007
Base-Backbone interact. energy: -0.760
local terms energy: -156.388020
where:
bonds (distance) C4'-P energy: -37.458
bonds (distance) P-C4' energy: -30.617
flat angles C4'-P-C4' energy: -42.942
flat angles P-C4'-P energy: -27.420
tors. eta vs tors. theta energy: -17.950
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: 2
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -492.026274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.026274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.026274 (E_RNA)
where:
Base-Base interactions energy: -305.764
where: short stacking energy: -155.766
Base-Backbone interact. energy: -0.874
local terms energy: -185.388415
where:
bonds (distance) C4'-P energy: -35.724
bonds (distance) P-C4' energy: -37.846
flat angles C4'-P-C4' energy: -42.278
flat angles P-C4'-P energy: -33.439
tors. eta vs tors. theta energy: -36.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -319.739161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.739161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.739161 (E_RNA)
where:
Base-Base interactions energy: -177.112
where: short stacking energy: -94.631
Base-Backbone interact. energy: 1.571
local terms energy: -144.198188
where:
bonds (distance) C4'-P energy: -46.245
bonds (distance) P-C4' energy: -44.006
flat angles C4'-P-C4' energy: -33.730
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -849.078870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.078870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.078870 (E_RNA)
where:
Base-Base interactions energy: -591.287
where: short stacking energy: -227.787
Base-Backbone interact. energy: -1.155
local terms energy: -256.637098
where:
bonds (distance) C4'-P energy: -46.370
bonds (distance) P-C4' energy: -47.934
flat angles C4'-P-C4' energy: -56.358
flat angles P-C4'-P energy: -38.043
tors. eta vs tors. theta energy: -67.932
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: 6
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -811.437194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.437194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.437194 (E_RNA)
where:
Base-Base interactions energy: -569.257
where: short stacking energy: -232.165
Base-Backbone interact. energy: -0.708
local terms energy: -241.471972
where:
bonds (distance) C4'-P energy: -51.802
bonds (distance) P-C4' energy: -42.312
flat angles C4'-P-C4' energy: -51.972
flat angles P-C4'-P energy: -31.687
tors. eta vs tors. theta energy: -63.699
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: 5
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -816.916280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.916280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.916280 (E_RNA)
where:
Base-Base interactions energy: -562.424
where: short stacking energy: -230.308
Base-Backbone interact. energy: -0.481
local terms energy: -254.012097
where:
bonds (distance) C4'-P energy: -42.317
bonds (distance) P-C4' energy: -48.522
flat angles C4'-P-C4' energy: -54.323
flat angles P-C4'-P energy: -40.609
tors. eta vs tors. theta energy: -68.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -745.518443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.518443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.518443 (E_RNA)
where:
Base-Base interactions energy: -514.353
where: short stacking energy: -211.226
Base-Backbone interact. energy: -1.240
local terms energy: -229.925220
where:
bonds (distance) C4'-P energy: -47.993
bonds (distance) P-C4' energy: -47.444
flat angles C4'-P-C4' energy: -51.607
flat angles P-C4'-P energy: -25.399
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: 5, replica: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -722.407955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.407955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.407955 (E_RNA)
where:
Base-Base interactions energy: -496.328
where: short stacking energy: -215.851
Base-Backbone interact. energy: -1.609
local terms energy: -224.471551
where:
bonds (distance) C4'-P energy: -42.487
bonds (distance) P-C4' energy: -29.926
flat angles C4'-P-C4' energy: -48.959
flat angles P-C4'-P energy: -35.940
tors. eta vs tors. theta energy: -67.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -698.605947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.605947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.605947 (E_RNA)
where:
Base-Base interactions energy: -479.849
where: short stacking energy: -205.067
Base-Backbone interact. energy: -1.057
local terms energy: -217.699517
where:
bonds (distance) C4'-P energy: -39.332
bonds (distance) P-C4' energy: -44.906
flat angles C4'-P-C4' energy: -51.653
flat angles P-C4'-P energy: -24.121
tors. eta vs tors. theta energy: -57.688
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: 7
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -605.600481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.600481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.600481 (E_RNA)
where:
Base-Base interactions energy: -393.601
where: short stacking energy: -188.193
Base-Backbone interact. energy: -1.310
local terms energy: -210.689856
where:
bonds (distance) C4'-P energy: -36.885
bonds (distance) P-C4' energy: -44.289
flat angles C4'-P-C4' energy: -45.518
flat angles P-C4'-P energy: -33.030
tors. eta vs tors. theta energy: -50.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -423.780323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.780323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.780323 (E_RNA)
where:
Base-Base interactions energy: -258.082
where: short stacking energy: -133.389
Base-Backbone interact. energy: -0.636
local terms energy: -165.062130
where:
bonds (distance) C4'-P energy: -36.837
bonds (distance) P-C4' energy: -46.180
flat angles C4'-P-C4' energy: -32.127
flat angles P-C4'-P energy: -27.594
tors. eta vs tors. theta energy: -22.325
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: 9, replica: 2
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -469.902380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.902380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.902380 (E_RNA)
where:
Base-Base interactions energy: -287.755
where: short stacking energy: -150.890
Base-Backbone interact. energy: -1.265
local terms energy: -180.883257
where:
bonds (distance) C4'-P energy: -40.680
bonds (distance) P-C4' energy: -42.607
flat angles C4'-P-C4' energy: -42.066
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -39.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -309.478081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.478081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.478081 (E_RNA)
where:
Base-Base interactions energy: -172.909
where: short stacking energy: -86.632
Base-Backbone interact. energy: -1.273
local terms energy: -135.296225
where:
bonds (distance) C4'-P energy: -32.193
bonds (distance) P-C4' energy: -32.388
flat angles C4'-P-C4' energy: -37.117
flat angles P-C4'-P energy: -27.271
tors. eta vs tors. theta energy: -6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -858.903059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.903059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.903059 (E_RNA)
where:
Base-Base interactions energy: -603.368
where: short stacking energy: -246.210
Base-Backbone interact. energy: -1.921
local terms energy: -253.613361
where:
bonds (distance) C4'-P energy: -42.543
bonds (distance) P-C4' energy: -48.580
flat angles C4'-P-C4' energy: -53.820
flat angles P-C4'-P energy: -39.699
tors. eta vs tors. theta energy: -68.972
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: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -835.777472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.777472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.777472 (E_RNA)
where:
Base-Base interactions energy: -580.286
where: short stacking energy: -252.958
Base-Backbone interact. energy: -0.714
local terms energy: -254.777574
where:
bonds (distance) C4'-P energy: -47.707
bonds (distance) P-C4' energy: -45.832
flat angles C4'-P-C4' energy: -48.428
flat angles P-C4'-P energy: -35.887
tors. eta vs tors. theta energy: -76.923
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: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -799.425617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.425617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.425617 (E_RNA)
where:
Base-Base interactions energy: -554.723
where: short stacking energy: -241.351
Base-Backbone interact. energy: -1.213
local terms energy: -243.489373
where:
bonds (distance) C4'-P energy: -48.762
bonds (distance) P-C4' energy: -44.860
flat angles C4'-P-C4' energy: -52.847
flat angles P-C4'-P energy: -31.710
tors. eta vs tors. theta energy: -65.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -738.996580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.996580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.996580 (E_RNA)
where:
Base-Base interactions energy: -508.844
where: short stacking energy: -228.854
Base-Backbone interact. energy: -1.574
local terms energy: -228.578091
where:
bonds (distance) C4'-P energy: -40.494
bonds (distance) P-C4' energy: -43.244
flat angles C4'-P-C4' energy: -45.474
flat angles P-C4'-P energy: -36.087
tors. eta vs tors. theta energy: -63.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -684.426946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.426946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.426946 (E_RNA)
where:
Base-Base interactions energy: -476.990
where: short stacking energy: -188.878
Base-Backbone interact. energy: 1.436
local terms energy: -208.873180
where:
bonds (distance) C4'-P energy: -38.905
bonds (distance) P-C4' energy: -38.903
flat angles C4'-P-C4' energy: -48.651
flat angles P-C4'-P energy: -36.134
tors. eta vs tors. theta energy: -46.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -621.283865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.283865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.283865 (E_RNA)
where:
Base-Base interactions energy: -414.915
where: short stacking energy: -172.138
Base-Backbone interact. energy: -1.430
local terms energy: -204.938429
where:
bonds (distance) C4'-P energy: -48.182
bonds (distance) P-C4' energy: -46.550
flat angles C4'-P-C4' energy: -43.906
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: -42.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -683.887147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.887147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.887147 (E_RNA)
where:
Base-Base interactions energy: -471.984
where: short stacking energy: -192.892
Base-Backbone interact. energy: -1.740
local terms energy: -210.163137
where:
bonds (distance) C4'-P energy: -43.439
bonds (distance) P-C4' energy: -43.645
flat angles C4'-P-C4' energy: -42.476
flat angles P-C4'-P energy: -24.290
tors. eta vs tors. theta energy: -56.313
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: 2
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -441.909402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.909402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.909402 (E_RNA)
where:
Base-Base interactions energy: -274.846
where: short stacking energy: -147.385
Base-Backbone interact. energy: -1.712
local terms energy: -165.351302
where:
bonds (distance) C4'-P energy: -33.699
bonds (distance) P-C4' energy: -49.945
flat angles C4'-P-C4' energy: -32.229
flat angles P-C4'-P energy: -24.096
tors. eta vs tors. theta energy: -25.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -416.914160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.914160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.914160 (E_RNA)
where:
Base-Base interactions energy: -256.299
where: short stacking energy: -127.861
Base-Backbone interact. energy: 0.726
local terms energy: -161.341879
where:
bonds (distance) C4'-P energy: -35.460
bonds (distance) P-C4' energy: -39.139
flat angles C4'-P-C4' energy: -38.429
flat angles P-C4'-P energy: -23.486
tors. eta vs tors. theta energy: -24.827
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: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -297.369330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.369330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.369330 (E_RNA)
where:
Base-Base interactions energy: -174.985
where: short stacking energy: -73.020
Base-Backbone interact. energy: -0.699
local terms energy: -121.685126
where:
bonds (distance) C4'-P energy: -35.263
bonds (distance) P-C4' energy: -39.021
flat angles C4'-P-C4' energy: -38.861
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: 15.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -850.147543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.147543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.147543 (E_RNA)
where:
Base-Base interactions energy: -594.023
where: short stacking energy: -254.414
Base-Backbone interact. energy: -2.621
local terms energy: -253.503097
where:
bonds (distance) C4'-P energy: -43.744
bonds (distance) P-C4' energy: -45.264
flat angles C4'-P-C4' energy: -51.006
flat angles P-C4'-P energy: -30.818
tors. eta vs tors. theta energy: -82.671
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: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -840.173294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.173294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.173294 (E_RNA)
where:
Base-Base interactions energy: -605.138
where: short stacking energy: -248.804
Base-Backbone interact. energy: -0.941
local terms energy: -234.094282
where:
bonds (distance) C4'-P energy: -43.567
bonds (distance) P-C4' energy: -48.507
flat angles C4'-P-C4' energy: -52.310
flat angles P-C4'-P energy: -22.735
tors. eta vs tors. theta energy: -66.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -741.875671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.875671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.875671 (E_RNA)
where:
Base-Base interactions energy: -513.971
where: short stacking energy: -226.114
Base-Backbone interact. energy: -1.056
local terms energy: -226.848224
where:
bonds (distance) C4'-P energy: -41.777
bonds (distance) P-C4' energy: -38.676
flat angles C4'-P-C4' energy: -49.987
flat angles P-C4'-P energy: -35.727
tors. eta vs tors. theta energy: -60.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -780.668009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.668009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.668009 (E_RNA)
where:
Base-Base interactions energy: -547.025
where: short stacking energy: -232.819
Base-Backbone interact. energy: -1.666
local terms energy: -231.976597
where:
bonds (distance) C4'-P energy: -37.889
bonds (distance) P-C4' energy: -46.056
flat angles C4'-P-C4' energy: -48.458
flat angles P-C4'-P energy: -31.050
tors. eta vs tors. theta energy: -68.524
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: 422
Temperature: 1.100000
Total energy: -693.057005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.057005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.057005 (E_RNA)
where:
Base-Base interactions energy: -478.781
where: short stacking energy: -194.105
Base-Backbone interact. energy: -0.140
local terms energy: -214.136263
where:
bonds (distance) C4'-P energy: -46.829
bonds (distance) P-C4' energy: -40.973
flat angles C4'-P-C4' energy: -48.270
flat angles P-C4'-P energy: -32.014
tors. eta vs tors. theta energy: -46.049
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: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -636.445464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.445464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.445464 (E_RNA)
where:
Base-Base interactions energy: -415.077
where: short stacking energy: -185.991
Base-Backbone interact. energy: -0.791
local terms energy: -220.577389
where:
bonds (distance) C4'-P energy: -31.159
bonds (distance) P-C4' energy: -42.451
flat angles C4'-P-C4' energy: -53.011
flat angles P-C4'-P energy: -39.825
tors. eta vs tors. theta energy: -54.133
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: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -675.550624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.550624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.550624 (E_RNA)
where:
Base-Base interactions energy: -460.556
where: short stacking energy: -204.571
Base-Backbone interact. energy: -0.020
local terms energy: -214.974791
where:
bonds (distance) C4'-P energy: -38.626
bonds (distance) P-C4' energy: -50.490
flat angles C4'-P-C4' energy: -45.535
flat angles P-C4'-P energy: -24.645
tors. eta vs tors. theta energy: -55.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -453.557837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.557837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.557837 (E_RNA)
where:
Base-Base interactions energy: -265.468
where: short stacking energy: -143.000
Base-Backbone interact. energy: -0.354
local terms energy: -187.736569
where:
bonds (distance) C4'-P energy: -49.355
bonds (distance) P-C4' energy: -38.326
flat angles C4'-P-C4' energy: -49.243
flat angles P-C4'-P energy: -24.788
tors. eta vs tors. theta energy: -26.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -408.542909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.542909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.542909 (E_RNA)
where:
Base-Base interactions energy: -233.666
where: short stacking energy: -124.923
Base-Backbone interact. energy: -0.722
local terms energy: -174.155435
where:
bonds (distance) C4'-P energy: -37.503
bonds (distance) P-C4' energy: -50.729
flat angles C4'-P-C4' energy: -40.188
flat angles P-C4'-P energy: -18.382
tors. eta vs tors. theta energy: -27.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -302.766190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.766190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.766190 (E_RNA)
where:
Base-Base interactions energy: -178.226
where: short stacking energy: -89.077
Base-Backbone interact. energy: 1.835
local terms energy: -126.375268
where:
bonds (distance) C4'-P energy: -25.446
bonds (distance) P-C4' energy: -38.048
flat angles C4'-P-C4' energy: -35.896
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -7.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -847.142308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.142308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.142308 (E_RNA)
where:
Base-Base interactions energy: -590.023
where: short stacking energy: -261.033
Base-Backbone interact. energy: -1.078
local terms energy: -256.041336
where:
bonds (distance) C4'-P energy: -44.287
bonds (distance) P-C4' energy: -46.912
flat angles C4'-P-C4' energy: -52.848
flat angles P-C4'-P energy: -34.420
tors. eta vs tors. theta energy: -77.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -839.474845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.474845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.474845 (E_RNA)
where:
Base-Base interactions energy: -601.933
where: short stacking energy: -245.456
Base-Backbone interact. energy: -0.090
local terms energy: -237.451765
where:
bonds (distance) C4'-P energy: -51.900
bonds (distance) P-C4' energy: -46.382
flat angles C4'-P-C4' energy: -50.686
flat angles P-C4'-P energy: -24.025
tors. eta vs tors. theta energy: -64.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -733.046540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.046540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.046540 (E_RNA)
where:
Base-Base interactions energy: -501.405
where: short stacking energy: -219.298
Base-Backbone interact. energy: -0.101
local terms energy: -231.540538
where:
bonds (distance) C4'-P energy: -41.725
bonds (distance) P-C4' energy: -42.657
flat angles C4'-P-C4' energy: -45.436
flat angles P-C4'-P energy: -35.352
tors. eta vs tors. theta energy: -66.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -797.337917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.337917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.337917 (E_RNA)
where:
Base-Base interactions energy: -559.216
where: short stacking energy: -231.301
Base-Backbone interact. energy: -0.772
local terms energy: -237.349534
where:
bonds (distance) C4'-P energy: -41.371
bonds (distance) P-C4' energy: -48.757
flat angles C4'-P-C4' energy: -42.950
flat angles P-C4'-P energy: -33.709
tors. eta vs tors. theta energy: -70.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -671.494611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.494611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.494611 (E_RNA)
where:
Base-Base interactions energy: -464.528
where: short stacking energy: -186.524
Base-Backbone interact. energy: -0.233
local terms energy: -206.733142
where:
bonds (distance) C4'-P energy: -47.463
bonds (distance) P-C4' energy: -45.460
flat angles C4'-P-C4' energy: -37.869
flat angles P-C4'-P energy: -32.332
tors. eta vs tors. theta energy: -43.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -686.456333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.456333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.456333 (E_RNA)
where:
Base-Base interactions energy: -467.405
where: short stacking energy: -193.151
Base-Backbone interact. energy: -1.520
local terms energy: -217.532068
where:
bonds (distance) C4'-P energy: -45.248
bonds (distance) P-C4' energy: -47.698
flat angles C4'-P-C4' energy: -45.617
flat angles P-C4'-P energy: -27.770
tors. eta vs tors. theta energy: -51.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -613.618767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.618767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.618767 (E_RNA)
where:
Base-Base interactions energy: -406.218
where: short stacking energy: -190.427
Base-Backbone interact. energy: -0.074
local terms energy: -207.326642
where:
bonds (distance) C4'-P energy: -35.114
bonds (distance) P-C4' energy: -45.957
flat angles C4'-P-C4' energy: -47.617
flat angles P-C4'-P energy: -27.849
tors. eta vs tors. theta energy: -50.790
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: 2
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -463.338636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.338636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.338636 (E_RNA)
where:
Base-Base interactions energy: -275.127
where: short stacking energy: -138.424
Base-Backbone interact. energy: -0.568
local terms energy: -187.643098
where:
bonds (distance) C4'-P energy: -42.972
bonds (distance) P-C4' energy: -43.643
flat angles C4'-P-C4' energy: -45.748
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -35.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -392.037437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.037437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.037437 (E_RNA)
where:
Base-Base interactions energy: -224.601
where: short stacking energy: -105.871
Base-Backbone interact. energy: -0.655
local terms energy: -166.781021
where:
bonds (distance) C4'-P energy: -42.343
bonds (distance) P-C4' energy: -38.906
flat angles C4'-P-C4' energy: -35.429
flat angles P-C4'-P energy: -33.079
tors. eta vs tors. theta energy: -17.025
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: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -241.347680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.347680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.347680 (E_RNA)
where:
Base-Base interactions energy: -111.905
where: short stacking energy: -60.041
Base-Backbone interact. energy: 0.784
local terms energy: -130.226034
where:
bonds (distance) C4'-P energy: -35.303
bonds (distance) P-C4' energy: -45.752
flat angles C4'-P-C4' energy: -32.919
flat angles P-C4'-P energy: -24.124
tors. eta vs tors. theta energy: 7.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -856.723541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.723541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.723541 (E_RNA)
where:
Base-Base interactions energy: -580.188
where: short stacking energy: -242.990
Base-Backbone interact. energy: 2.430
local terms energy: -278.965685
where:
bonds (distance) C4'-P energy: -47.287
bonds (distance) P-C4' energy: -56.335
flat angles C4'-P-C4' energy: -56.883
flat angles P-C4'-P energy: -42.106
tors. eta vs tors. theta energy: -76.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -828.926476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.926476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.926476 (E_RNA)
where:
Base-Base interactions energy: -573.500
where: short stacking energy: -240.384
Base-Backbone interact. energy: -1.198
local terms energy: -254.228599
where:
bonds (distance) C4'-P energy: -48.737
bonds (distance) P-C4' energy: -46.320
flat angles C4'-P-C4' energy: -47.756
flat angles P-C4'-P energy: -39.381
tors. eta vs tors. theta energy: -72.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -804.024993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.024993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.024993 (E_RNA)
where:
Base-Base interactions energy: -558.152
where: short stacking energy: -240.361
Base-Backbone interact. energy: -0.132
local terms energy: -245.741392
where:
bonds (distance) C4'-P energy: -51.909
bonds (distance) P-C4' energy: -41.943
flat angles C4'-P-C4' energy: -49.542
flat angles P-C4'-P energy: -33.379
tors. eta vs tors. theta energy: -68.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -722.550762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.550762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.550762 (E_RNA)
where:
Base-Base interactions energy: -494.235
where: short stacking energy: -219.585
Base-Backbone interact. energy: -0.999
local terms energy: -227.317173
where:
bonds (distance) C4'-P energy: -45.303
bonds (distance) P-C4' energy: -46.204
flat angles C4'-P-C4' energy: -48.154
flat angles P-C4'-P energy: -26.383
tors. eta vs tors. theta energy: -61.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -695.909748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.909748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.909748 (E_RNA)
where:
Base-Base interactions energy: -494.095
where: short stacking energy: -201.670
Base-Backbone interact. energy: -2.177
local terms energy: -199.637760
where:
bonds (distance) C4'-P energy: -43.009
bonds (distance) P-C4' energy: -40.121
flat angles C4'-P-C4' energy: -44.707
flat angles P-C4'-P energy: -23.181
tors. eta vs tors. theta energy: -48.620
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: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -648.645436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.645436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.645436 (E_RNA)
where:
Base-Base interactions energy: -456.398
where: short stacking energy: -177.740
Base-Backbone interact. energy: -2.323
local terms energy: -189.925276
where:
bonds (distance) C4'-P energy: -35.263
bonds (distance) P-C4' energy: -41.492
flat angles C4'-P-C4' energy: -38.249
flat angles P-C4'-P energy: -35.535
tors. eta vs tors. theta energy: -39.387
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: 7
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -613.689379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.689379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.689379 (E_RNA)
where:
Base-Base interactions energy: -414.076
where: short stacking energy: -168.841
Base-Backbone interact. energy: -1.001
local terms energy: -198.612426
where:
bonds (distance) C4'-P energy: -37.486
bonds (distance) P-C4' energy: -44.588
flat angles C4'-P-C4' energy: -42.816
flat angles P-C4'-P energy: -33.663
tors. eta vs tors. theta energy: -40.060
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: 8, replica: 2
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -465.393864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.393864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.393864 (E_RNA)
where:
Base-Base interactions energy: -306.992
where: short stacking energy: -123.753
Base-Backbone interact. energy: -0.024
local terms energy: -158.377332
where:
bonds (distance) C4'-P energy: -35.591
bonds (distance) P-C4' energy: -39.528
flat angles C4'-P-C4' energy: -36.462
flat angles P-C4'-P energy: -25.167
tors. eta vs tors. theta energy: -21.629
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: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -398.679220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.679220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.679220 (E_RNA)
where:
Base-Base interactions energy: -233.170
where: short stacking energy: -113.562
Base-Backbone interact. energy: -0.190
local terms energy: -165.319365
where:
bonds (distance) C4'-P energy: -40.802
bonds (distance) P-C4' energy: -31.440
flat angles C4'-P-C4' energy: -35.898
flat angles P-C4'-P energy: -33.689
tors. eta vs tors. theta energy: -23.490
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: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -208.032282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.032282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.032282 (E_RNA)
where:
Base-Base interactions energy: -94.398
where: short stacking energy: -69.805
Base-Backbone interact. energy: 2.810
local terms energy: -116.444072
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -43.064
flat angles C4'-P-C4' energy: -39.631
flat angles P-C4'-P energy: -23.282
tors. eta vs tors. theta energy: 8.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -847.788156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.788156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.788156 (E_RNA)
where:
Base-Base interactions energy: -593.325
where: short stacking energy: -262.775
Base-Backbone interact. energy: -0.360
local terms energy: -254.103685
where:
bonds (distance) C4'-P energy: -47.324
bonds (distance) P-C4' energy: -45.164
flat angles C4'-P-C4' energy: -52.281
flat angles P-C4'-P energy: -30.838
tors. eta vs tors. theta energy: -78.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -832.613887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.613887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.613887 (E_RNA)
where:
Base-Base interactions energy: -582.223
where: short stacking energy: -231.790
Base-Backbone interact. energy: -0.625
local terms energy: -249.766390
where:
bonds (distance) C4'-P energy: -43.233
bonds (distance) P-C4' energy: -49.497
flat angles C4'-P-C4' energy: -51.818
flat angles P-C4'-P energy: -40.383
tors. eta vs tors. theta energy: -64.835
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: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -819.184829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.184829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.184829 (E_RNA)
where:
Base-Base interactions energy: -582.203
where: short stacking energy: -238.049
Base-Backbone interact. energy: -3.135
local terms energy: -233.847008
where:
bonds (distance) C4'-P energy: -44.100
bonds (distance) P-C4' energy: -46.055
flat angles C4'-P-C4' energy: -41.759
flat angles P-C4'-P energy: -39.321
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: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -722.856228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.856228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.856228 (E_RNA)
where:
Base-Base interactions energy: -492.063
where: short stacking energy: -210.077
Base-Backbone interact. energy: -1.229
local terms energy: -229.565099
where:
bonds (distance) C4'-P energy: -51.868
bonds (distance) P-C4' energy: -48.218
flat angles C4'-P-C4' energy: -43.547
flat angles P-C4'-P energy: -29.937
tors. eta vs tors. theta energy: -55.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -717.301481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.301481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.301481 (E_RNA)
where:
Base-Base interactions energy: -493.976
where: short stacking energy: -208.857
Base-Backbone interact. energy: -0.044
local terms energy: -223.281609
where:
bonds (distance) C4'-P energy: -40.774
bonds (distance) P-C4' energy: -47.566
flat angles C4'-P-C4' energy: -43.028
flat angles P-C4'-P energy: -29.672
tors. eta vs tors. theta energy: -62.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -644.470953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.470953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.470953 (E_RNA)
where:
Base-Base interactions energy: -439.899
where: short stacking energy: -188.723
Base-Backbone interact. energy: -1.243
local terms energy: -203.328370
where:
bonds (distance) C4'-P energy: -36.083
bonds (distance) P-C4' energy: -47.720
flat angles C4'-P-C4' energy: -47.774
flat angles P-C4'-P energy: -32.478
tors. eta vs tors. theta energy: -39.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -642.202794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.202794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.202794 (E_RNA)
where:
Base-Base interactions energy: -442.167
where: short stacking energy: -175.732
Base-Backbone interact. energy: -0.727
local terms energy: -199.309155
where:
bonds (distance) C4'-P energy: -40.459
bonds (distance) P-C4' energy: -37.002
flat angles C4'-P-C4' energy: -53.016
flat angles P-C4'-P energy: -30.461
tors. eta vs tors. theta energy: -38.372
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: 2
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -437.092628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.092628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.092628 (E_RNA)
where:
Base-Base interactions energy: -276.449
where: short stacking energy: -126.999
Base-Backbone interact. energy: -0.392
local terms energy: -160.251548
where:
bonds (distance) C4'-P energy: -37.815
bonds (distance) P-C4' energy: -38.569
flat angles C4'-P-C4' energy: -36.061
flat angles P-C4'-P energy: -24.289
tors. eta vs tors. theta energy: -23.519
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: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -435.125703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.125703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.125703 (E_RNA)
where:
Base-Base interactions energy: -268.891
where: short stacking energy: -119.187
Base-Backbone interact. energy: 1.503
local terms energy: -167.737885
where:
bonds (distance) C4'-P energy: -44.187
bonds (distance) P-C4' energy: -39.004
flat angles C4'-P-C4' energy: -41.683
flat angles P-C4'-P energy: -25.304
tors. eta vs tors. theta energy: -17.561
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: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -214.865008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.865008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.865008 (E_RNA)
where:
Base-Base interactions energy: -53.258
where: short stacking energy: -53.508
Base-Backbone interact. energy: -2.661
local terms energy: -158.946174
where:
bonds (distance) C4'-P energy: -48.142
bonds (distance) P-C4' energy: -44.623
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -25.966
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -847.779942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.779942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.779942 (E_RNA)
where:
Base-Base interactions energy: -581.660
where: short stacking energy: -248.735
Base-Backbone interact. energy: -0.033
local terms energy: -266.086465
where:
bonds (distance) C4'-P energy: -42.611
bonds (distance) P-C4' energy: -51.350
flat angles C4'-P-C4' energy: -56.494
flat angles P-C4'-P energy: -40.701
tors. eta vs tors. theta energy: -74.930
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: 6
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -831.626588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.626588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.626588 (E_RNA)
where:
Base-Base interactions energy: -583.529
where: short stacking energy: -241.211
Base-Backbone interact. energy: -0.514
local terms energy: -247.584124
where:
bonds (distance) C4'-P energy: -45.033
bonds (distance) P-C4' energy: -56.995
flat angles C4'-P-C4' energy: -47.930
flat angles P-C4'-P energy: -26.256
tors. eta vs tors. theta energy: -71.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -817.671711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.671711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.671711 (E_RNA)
where:
Base-Base interactions energy: -580.766
where: short stacking energy: -231.596
Base-Backbone interact. energy: -0.054
local terms energy: -236.851090
where:
bonds (distance) C4'-P energy: -49.374
bonds (distance) P-C4' energy: -35.761
flat angles C4'-P-C4' energy: -50.967
flat angles P-C4'-P energy: -31.718
tors. eta vs tors. theta energy: -69.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -717.599007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.599007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.599007 (E_RNA)
where:
Base-Base interactions energy: -485.294
where: short stacking energy: -212.516
Base-Backbone interact. energy: -0.877
local terms energy: -231.428857
where:
bonds (distance) C4'-P energy: -46.710
bonds (distance) P-C4' energy: -43.343
flat angles C4'-P-C4' energy: -44.426
flat angles P-C4'-P energy: -33.965
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: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -704.229309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.229309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.229309 (E_RNA)
where:
Base-Base interactions energy: -478.654
where: short stacking energy: -193.604
Base-Backbone interact. energy: -0.625
local terms energy: -224.950199
where:
bonds (distance) C4'-P energy: -46.570
bonds (distance) P-C4' energy: -41.184
flat angles C4'-P-C4' energy: -51.758
flat angles P-C4'-P energy: -36.861
tors. eta vs tors. theta energy: -48.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -654.909683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.909683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.909683 (E_RNA)
where:
Base-Base interactions energy: -459.454
where: short stacking energy: -195.503
Base-Backbone interact. energy: -0.567
local terms energy: -194.888980
where:
bonds (distance) C4'-P energy: -29.504
bonds (distance) P-C4' energy: -38.743
flat angles C4'-P-C4' energy: -46.251
flat angles P-C4'-P energy: -29.856
tors. eta vs tors. theta energy: -50.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -624.939310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.939310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.939310 (E_RNA)
where:
Base-Base interactions energy: -429.120
where: short stacking energy: -179.080
Base-Backbone interact. energy: 2.855
local terms energy: -198.674002
where:
bonds (distance) C4'-P energy: -43.865
bonds (distance) P-C4' energy: -36.155
flat angles C4'-P-C4' energy: -45.634
flat angles P-C4'-P energy: -31.645
tors. eta vs tors. theta energy: -41.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -437.938779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.938779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.938779 (E_RNA)
where:
Base-Base interactions energy: -269.238
where: short stacking energy: -138.175
Base-Backbone interact. energy: -0.476
local terms energy: -168.224151
where:
bonds (distance) C4'-P energy: -35.432
bonds (distance) P-C4' energy: -41.968
flat angles C4'-P-C4' energy: -33.642
flat angles P-C4'-P energy: -29.982
tors. eta vs tors. theta energy: -27.201
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: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -463.302263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.302263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.302263 (E_RNA)
where:
Base-Base interactions energy: -294.427
where: short stacking energy: -134.250
Base-Backbone interact. energy: -0.093
local terms energy: -168.782542
where:
bonds (distance) C4'-P energy: -30.767
bonds (distance) P-C4' energy: -41.705
flat angles C4'-P-C4' energy: -38.817
flat angles P-C4'-P energy: -30.319
tors. eta vs tors. theta energy: -27.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -208.545694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.545694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.545694 (E_RNA)
where:
Base-Base interactions energy: -75.598
where: short stacking energy: -61.734
Base-Backbone interact. energy: 1.085
local terms energy: -134.032658
where:
bonds (distance) C4'-P energy: -43.994
bonds (distance) P-C4' energy: -39.862
flat angles C4'-P-C4' energy: -29.218
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: 2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -844.626572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.626572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.626572 (E_RNA)
where:
Base-Base interactions energy: -574.443
where: short stacking energy: -247.580
Base-Backbone interact. energy: -0.402
local terms energy: -269.781472
where:
bonds (distance) C4'-P energy: -50.688
bonds (distance) P-C4' energy: -50.743
flat angles C4'-P-C4' energy: -54.436
flat angles P-C4'-P energy: -33.628
tors. eta vs tors. theta energy: -80.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -834.060461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.060461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.060461 (E_RNA)
where:
Base-Base interactions energy: -580.510
where: short stacking energy: -244.414
Base-Backbone interact. energy: -0.345
local terms energy: -253.205398
where:
bonds (distance) C4'-P energy: -50.218
bonds (distance) P-C4' energy: -45.730
flat angles C4'-P-C4' energy: -54.815
flat angles P-C4'-P energy: -31.176
tors. eta vs tors. theta energy: -71.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -828.653801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.653801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.653801 (E_RNA)
where:
Base-Base interactions energy: -590.309
where: short stacking energy: -237.894
Base-Backbone interact. energy: 0.096
local terms energy: -238.440406
where:
bonds (distance) C4'-P energy: -37.230
bonds (distance) P-C4' energy: -47.335
flat angles C4'-P-C4' energy: -48.704
flat angles P-C4'-P energy: -36.364
tors. eta vs tors. theta energy: -68.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -721.570471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.570471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.570471 (E_RNA)
where:
Base-Base interactions energy: -491.297
where: short stacking energy: -223.170
Base-Backbone interact. energy: -1.339
local terms energy: -228.934225
where:
bonds (distance) C4'-P energy: -43.352
bonds (distance) P-C4' energy: -44.467
flat angles C4'-P-C4' energy: -54.627
flat angles P-C4'-P energy: -32.288
tors. eta vs tors. theta energy: -54.200
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: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -716.427081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.427081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.427081 (E_RNA)
where:
Base-Base interactions energy: -502.987
where: short stacking energy: -217.010
Base-Backbone interact. energy: 2.157
local terms energy: -215.597803
where:
bonds (distance) C4'-P energy: -40.584
bonds (distance) P-C4' energy: -39.428
flat angles C4'-P-C4' energy: -47.853
flat angles P-C4'-P energy: -32.960
tors. eta vs tors. theta energy: -54.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -686.593613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.593613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.593613 (E_RNA)
where:
Base-Base interactions energy: -479.008
where: short stacking energy: -208.543
Base-Backbone interact. energy: -0.155
local terms energy: -207.430765
where:
bonds (distance) C4'-P energy: -42.882
bonds (distance) P-C4' energy: -44.546
flat angles C4'-P-C4' energy: -43.501
flat angles P-C4'-P energy: -31.635
tors. eta vs tors. theta energy: -44.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -625.418280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.418280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.418280 (E_RNA)
where:
Base-Base interactions energy: -434.927
where: short stacking energy: -184.824
Base-Backbone interact. energy: -1.042
local terms energy: -189.448891
where:
bonds (distance) C4'-P energy: -29.239
bonds (distance) P-C4' energy: -46.008
flat angles C4'-P-C4' energy: -45.047
flat angles P-C4'-P energy: -24.907
tors. eta vs tors. theta energy: -44.249
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: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -513.045132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.045132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.045132 (E_RNA)
where:
Base-Base interactions energy: -324.773
where: short stacking energy: -140.192
Base-Backbone interact. energy: -1.118
local terms energy: -187.153712
where:
bonds (distance) C4'-P energy: -42.024
bonds (distance) P-C4' energy: -52.423
flat angles C4'-P-C4' energy: -44.620
flat angles P-C4'-P energy: -29.664
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -367.716429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.716429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.716429 (E_RNA)
where:
Base-Base interactions energy: -229.088
where: short stacking energy: -114.692
Base-Backbone interact. energy: -0.332
local terms energy: -138.296392
where:
bonds (distance) C4'-P energy: -31.584
bonds (distance) P-C4' energy: -42.772
flat angles C4'-P-C4' energy: -32.545
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -16.377
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: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -250.445970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.445970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.445970 (E_RNA)
where:
Base-Base interactions energy: -113.931
where: short stacking energy: -77.209
Base-Backbone interact. energy: -0.818
local terms energy: -135.696913
where:
bonds (distance) C4'-P energy: -45.358
bonds (distance) P-C4' energy: -38.480
flat angles C4'-P-C4' energy: -31.129
flat angles P-C4'-P energy: -19.383
tors. eta vs tors. theta energy: -1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -843.142635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.142635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.142635 (E_RNA)
where:
Base-Base interactions energy: -591.299
where: short stacking energy: -252.404
Base-Backbone interact. energy: 2.241
local terms energy: -254.084802
where:
bonds (distance) C4'-P energy: -44.967
bonds (distance) P-C4' energy: -45.083
flat angles C4'-P-C4' energy: -57.010
flat angles P-C4'-P energy: -36.375
tors. eta vs tors. theta energy: -70.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -831.696213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.696213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.696213 (E_RNA)
where:
Base-Base interactions energy: -570.718
where: short stacking energy: -248.580
Base-Backbone interact. energy: -0.409
local terms energy: -260.569983
where:
bonds (distance) C4'-P energy: -54.370
bonds (distance) P-C4' energy: -42.698
flat angles C4'-P-C4' energy: -52.996
flat angles P-C4'-P energy: -35.088
tors. eta vs tors. theta energy: -75.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -831.449410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.449410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.449410 (E_RNA)
where:
Base-Base interactions energy: -591.149
where: short stacking energy: -236.748
Base-Backbone interact. energy: -1.434
local terms energy: -238.866473
where:
bonds (distance) C4'-P energy: -39.928
bonds (distance) P-C4' energy: -45.994
flat angles C4'-P-C4' energy: -51.710
flat angles P-C4'-P energy: -30.496
tors. eta vs tors. theta energy: -70.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -735.282126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.282126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.282126 (E_RNA)
where:
Base-Base interactions energy: -490.473
where: short stacking energy: -229.997
Base-Backbone interact. energy: -1.120
local terms energy: -243.689814
where:
bonds (distance) C4'-P energy: -48.800
bonds (distance) P-C4' energy: -46.314
flat angles C4'-P-C4' energy: -47.136
flat angles P-C4'-P energy: -35.345
tors. eta vs tors. theta energy: -66.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -746.905049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.905049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.905049 (E_RNA)
where:
Base-Base interactions energy: -514.036
where: short stacking energy: -218.400
Base-Backbone interact. energy: -0.338
local terms energy: -232.530928
where:
bonds (distance) C4'-P energy: -45.903
bonds (distance) P-C4' energy: -44.318
flat angles C4'-P-C4' energy: -46.807
flat angles P-C4'-P energy: -31.523
tors. eta vs tors. theta energy: -63.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -675.988105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.988105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.988105 (E_RNA)
where:
Base-Base interactions energy: -471.158
where: short stacking energy: -190.637
Base-Backbone interact. energy: 1.212
local terms energy: -206.042027
where:
bonds (distance) C4'-P energy: -43.378
bonds (distance) P-C4' energy: -42.609
flat angles C4'-P-C4' energy: -48.971
flat angles P-C4'-P energy: -26.951
tors. eta vs tors. theta energy: -44.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -643.465781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.465781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.465781 (E_RNA)
where:
Base-Base interactions energy: -439.584
where: short stacking energy: -191.389
Base-Backbone interact. energy: -1.135
local terms energy: -202.746266
where:
bonds (distance) C4'-P energy: -29.339
bonds (distance) P-C4' energy: -49.518
flat angles C4'-P-C4' energy: -44.426
flat angles P-C4'-P energy: -31.302
tors. eta vs tors. theta energy: -48.163
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: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -467.323067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.323067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.323067 (E_RNA)
where:
Base-Base interactions energy: -309.558
where: short stacking energy: -134.647
Base-Backbone interact. energy: 0.405
local terms energy: -158.170569
where:
bonds (distance) C4'-P energy: -39.731
bonds (distance) P-C4' energy: -34.658
flat angles C4'-P-C4' energy: -38.499
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: -25.092
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: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -235.075337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.075337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.075337 (E_RNA)
where:
Base-Base interactions energy: -94.117
where: short stacking energy: -72.315
Base-Backbone interact. energy: 2.305
local terms energy: -143.264078
where:
bonds (distance) C4'-P energy: -39.187
bonds (distance) P-C4' energy: -32.565
flat angles C4'-P-C4' energy: -48.223
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -305.625526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.625526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.625526 (E_RNA)
where:
Base-Base interactions energy: -156.621
where: short stacking energy: -78.653
Base-Backbone interact. energy: 0.960
local terms energy: -149.964323
where:
bonds (distance) C4'-P energy: -37.812
bonds (distance) P-C4' energy: -42.023
flat angles C4'-P-C4' energy: -38.689
flat angles P-C4'-P energy: -29.897
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -844.773599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.773599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.773599 (E_RNA)
where:
Base-Base interactions energy: -594.047
where: short stacking energy: -244.600
Base-Backbone interact. energy: -0.687
local terms energy: -250.039136
where:
bonds (distance) C4'-P energy: -48.091
bonds (distance) P-C4' energy: -47.802
flat angles C4'-P-C4' energy: -55.897
flat angles P-C4'-P energy: -32.860
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: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -834.306577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.306577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.306577 (E_RNA)
where:
Base-Base interactions energy: -588.605
where: short stacking energy: -235.297
Base-Backbone interact. energy: -0.887
local terms energy: -244.815378
where:
bonds (distance) C4'-P energy: -47.366
bonds (distance) P-C4' energy: -51.300
flat angles C4'-P-C4' energy: -49.615
flat angles P-C4'-P energy: -28.219
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: 3, replica: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -818.801683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.801683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.801683 (E_RNA)
where:
Base-Base interactions energy: -560.237
where: short stacking energy: -226.071
Base-Backbone interact. energy: 0.288
local terms energy: -258.853160
where:
bonds (distance) C4'-P energy: -51.296
bonds (distance) P-C4' energy: -51.165
flat angles C4'-P-C4' energy: -51.500
flat angles P-C4'-P energy: -31.525
tors. eta vs tors. theta energy: -73.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -745.964981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.964981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.964981 (E_RNA)
where:
Base-Base interactions energy: -506.385
where: short stacking energy: -219.490
Base-Backbone interact. energy: -1.101
local terms energy: -238.479226
where:
bonds (distance) C4'-P energy: -52.828
bonds (distance) P-C4' energy: -37.695
flat angles C4'-P-C4' energy: -48.294
flat angles P-C4'-P energy: -31.809
tors. eta vs tors. theta energy: -67.853
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: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -708.870760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.870760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.870760 (E_RNA)
where:
Base-Base interactions energy: -482.325
where: short stacking energy: -220.769
Base-Backbone interact. energy: -0.874
local terms energy: -225.671384
where:
bonds (distance) C4'-P energy: -41.649
bonds (distance) P-C4' energy: -43.080
flat angles C4'-P-C4' energy: -50.307
flat angles P-C4'-P energy: -31.673
tors. eta vs tors. theta energy: -58.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -675.102011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.102011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.102011 (E_RNA)
where:
Base-Base interactions energy: -469.690
where: short stacking energy: -191.793
Base-Backbone interact. energy: 1.997
local terms energy: -207.408705
where:
bonds (distance) C4'-P energy: -38.692
bonds (distance) P-C4' energy: -44.815
flat angles C4'-P-C4' energy: -45.959
flat angles P-C4'-P energy: -24.752
tors. eta vs tors. theta energy: -53.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -640.805788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.805788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.805788 (E_RNA)
where:
Base-Base interactions energy: -439.162
where: short stacking energy: -192.812
Base-Backbone interact. energy: -0.557
local terms energy: -201.086847
where:
bonds (distance) C4'-P energy: -38.145
bonds (distance) P-C4' energy: -39.102
flat angles C4'-P-C4' energy: -44.814
flat angles P-C4'-P energy: -22.874
tors. eta vs tors. theta energy: -56.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -463.541244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.541244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.541244 (E_RNA)
where:
Base-Base interactions energy: -292.824
where: short stacking energy: -133.142
Base-Backbone interact. energy: -0.263
local terms energy: -170.454240
where:
bonds (distance) C4'-P energy: -45.744
bonds (distance) P-C4' energy: -40.210
flat angles C4'-P-C4' energy: -33.338
flat angles P-C4'-P energy: -21.481
tors. eta vs tors. theta energy: -29.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -213.376857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.376857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.376857 (E_RNA)
where:
Base-Base interactions energy: -81.888
where: short stacking energy: -49.216
Base-Backbone interact. energy: -0.630
local terms energy: -130.859026
where:
bonds (distance) C4'-P energy: -33.451
bonds (distance) P-C4' energy: -48.358
flat angles C4'-P-C4' energy: -34.668
flat angles P-C4'-P energy: -21.109
tors. eta vs tors. theta energy: 6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -358.157969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.157969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.157969 (E_RNA)
where:
Base-Base interactions energy: -217.640
where: short stacking energy: -116.373
Base-Backbone interact. energy: -0.955
local terms energy: -139.562682
where:
bonds (distance) C4'-P energy: -41.265
bonds (distance) P-C4' energy: -27.604
flat angles C4'-P-C4' energy: -37.752
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -841.297138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.297138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.297138 (E_RNA)
where:
Base-Base interactions energy: -591.197
where: short stacking energy: -237.350
Base-Backbone interact. energy: -0.557
local terms energy: -249.542837
where:
bonds (distance) C4'-P energy: -47.234
bonds (distance) P-C4' energy: -47.384
flat angles C4'-P-C4' energy: -50.821
flat angles P-C4'-P energy: -34.535
tors. eta vs tors. theta energy: -69.568
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: 2, replica: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -837.489027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.489027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.489027 (E_RNA)
where:
Base-Base interactions energy: -585.612
where: short stacking energy: -233.672
Base-Backbone interact. energy: -1.583
local terms energy: -250.293733
where:
bonds (distance) C4'-P energy: -41.411
bonds (distance) P-C4' energy: -51.953
flat angles C4'-P-C4' energy: -53.887
flat angles P-C4'-P energy: -34.169
tors. eta vs tors. theta energy: -68.874
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: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -804.077977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.077977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.077977 (E_RNA)
where:
Base-Base interactions energy: -568.286
where: short stacking energy: -247.043
Base-Backbone interact. energy: -0.240
local terms energy: -235.552658
where:
bonds (distance) C4'-P energy: -36.569
bonds (distance) P-C4' energy: -46.240
flat angles C4'-P-C4' energy: -50.860
flat angles P-C4'-P energy: -28.443
tors. eta vs tors. theta energy: -73.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -757.501942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.501942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.501942 (E_RNA)
where:
Base-Base interactions energy: -525.201
where: short stacking energy: -227.880
Base-Backbone interact. energy: -0.965
local terms energy: -231.336335
where:
bonds (distance) C4'-P energy: -36.152
bonds (distance) P-C4' energy: -44.971
flat angles C4'-P-C4' energy: -52.217
flat angles P-C4'-P energy: -34.991
tors. eta vs tors. theta energy: -63.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -705.963437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.963437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.963437 (E_RNA)
where:
Base-Base interactions energy: -484.963
where: short stacking energy: -190.729
Base-Backbone interact. energy: -0.197
local terms energy: -220.803309
where:
bonds (distance) C4'-P energy: -44.010
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -49.149
flat angles P-C4'-P energy: -26.734
tors. eta vs tors. theta energy: -57.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -688.463550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.463550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.463550 (E_RNA)
where:
Base-Base interactions energy: -480.112
where: short stacking energy: -211.177
Base-Backbone interact. energy: -0.716
local terms energy: -207.635788
where:
bonds (distance) C4'-P energy: -36.416
bonds (distance) P-C4' energy: -44.236
flat angles C4'-P-C4' energy: -45.650
flat angles P-C4'-P energy: -28.089
tors. eta vs tors. theta energy: -53.244
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: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -653.464355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.464355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.464355 (E_RNA)
where:
Base-Base interactions energy: -426.128
where: short stacking energy: -191.684
Base-Backbone interact. energy: -1.999
local terms energy: -225.337256
where:
bonds (distance) C4'-P energy: -39.175
bonds (distance) P-C4' energy: -44.374
flat angles C4'-P-C4' energy: -54.560
flat angles P-C4'-P energy: -24.251
tors. eta vs tors. theta energy: -62.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -485.336332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.336332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.336332 (E_RNA)
where:
Base-Base interactions energy: -312.195
where: short stacking energy: -151.038
Base-Backbone interact. energy: 3.428
local terms energy: -176.569250
where:
bonds (distance) C4'-P energy: -41.045
bonds (distance) P-C4' energy: -40.799
flat angles C4'-P-C4' energy: -42.315
flat angles P-C4'-P energy: -24.693
tors. eta vs tors. theta energy: -27.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -374.464416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.464416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.464416 (E_RNA)
where:
Base-Base interactions energy: -217.321
where: short stacking energy: -114.776
Base-Backbone interact. energy: -1.042
local terms energy: -156.101076
where:
bonds (distance) C4'-P energy: -42.095
bonds (distance) P-C4' energy: -31.635
flat angles C4'-P-C4' energy: -38.928
flat angles P-C4'-P energy: -34.419
tors. eta vs tors. theta energy: -9.025
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: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -207.227038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.227038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.227038 (E_RNA)
where:
Base-Base interactions energy: -77.286
where: short stacking energy: -69.278
Base-Backbone interact. energy: -0.647
local terms energy: -129.293391
where:
bonds (distance) C4'-P energy: -46.372
bonds (distance) P-C4' energy: -47.364
flat angles C4'-P-C4' energy: -29.980
flat angles P-C4'-P energy: -3.500
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -834.713289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.713289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.713289 (E_RNA)
where:
Base-Base interactions energy: -580.591
where: short stacking energy: -241.500
Base-Backbone interact. energy: 0.006
local terms energy: -254.128363
where:
bonds (distance) C4'-P energy: -50.611
bonds (distance) P-C4' energy: -47.526
flat angles C4'-P-C4' energy: -50.130
flat angles P-C4'-P energy: -37.945
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: 2, replica: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -838.087966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.087966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.087966 (E_RNA)
where:
Base-Base interactions energy: -587.499
where: short stacking energy: -222.468
Base-Backbone interact. energy: -0.043
local terms energy: -250.546445
where:
bonds (distance) C4'-P energy: -52.312
bonds (distance) P-C4' energy: -49.049
flat angles C4'-P-C4' energy: -46.193
flat angles P-C4'-P energy: -36.498
tors. eta vs tors. theta energy: -66.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -816.752332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.752332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.752332 (E_RNA)
where:
Base-Base interactions energy: -571.527
where: short stacking energy: -246.782
Base-Backbone interact. energy: -0.670
local terms energy: -244.554538
where:
bonds (distance) C4'-P energy: -37.568
bonds (distance) P-C4' energy: -50.461
flat angles C4'-P-C4' energy: -51.171
flat angles P-C4'-P energy: -29.524
tors. eta vs tors. theta energy: -75.830
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: 431
Temperature: 1.050000
Total energy: -751.659111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.659111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.659111 (E_RNA)
where:
Base-Base interactions energy: -519.702
where: short stacking energy: -220.327
Base-Backbone interact. energy: -0.739
local terms energy: -231.217745
where:
bonds (distance) C4'-P energy: -43.891
bonds (distance) P-C4' energy: -41.294
flat angles C4'-P-C4' energy: -43.323
flat angles P-C4'-P energy: -38.600
tors. eta vs tors. theta energy: -64.111
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: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -706.346411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.346411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.346411 (E_RNA)
where:
Base-Base interactions energy: -489.298
where: short stacking energy: -198.946
Base-Backbone interact. energy: -1.283
local terms energy: -215.765348
where:
bonds (distance) C4'-P energy: -46.260
bonds (distance) P-C4' energy: -42.526
flat angles C4'-P-C4' energy: -46.021
flat angles P-C4'-P energy: -30.051
tors. eta vs tors. theta energy: -50.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -677.538227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.538227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.538227 (E_RNA)
where:
Base-Base interactions energy: -462.018
where: short stacking energy: -205.970
Base-Backbone interact. energy: -0.768
local terms energy: -214.752466
where:
bonds (distance) C4'-P energy: -43.277
bonds (distance) P-C4' energy: -34.713
flat angles C4'-P-C4' energy: -55.447
flat angles P-C4'-P energy: -34.242
tors. eta vs tors. theta energy: -47.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -625.918066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.918066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.918066 (E_RNA)
where:
Base-Base interactions energy: -420.868
where: short stacking energy: -181.617
Base-Backbone interact. energy: -1.264
local terms energy: -203.785769
where:
bonds (distance) C4'-P energy: -45.113
bonds (distance) P-C4' energy: -41.994
flat angles C4'-P-C4' energy: -50.156
flat angles P-C4'-P energy: -22.435
tors. eta vs tors. theta energy: -44.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -468.050494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.050494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.050494 (E_RNA)
where:
Base-Base interactions energy: -299.559
where: short stacking energy: -137.468
Base-Backbone interact. energy: -1.165
local terms energy: -167.326313
where:
bonds (distance) C4'-P energy: -35.743
bonds (distance) P-C4' energy: -39.228
flat angles C4'-P-C4' energy: -37.919
flat angles P-C4'-P energy: -25.113
tors. eta vs tors. theta energy: -29.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -384.218948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.218948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.218948 (E_RNA)
where:
Base-Base interactions energy: -211.975
where: short stacking energy: -111.291
Base-Backbone interact. energy: -1.236
local terms energy: -171.007985
where:
bonds (distance) C4'-P energy: -44.678
bonds (distance) P-C4' energy: -44.402
flat angles C4'-P-C4' energy: -40.190
flat angles P-C4'-P energy: -20.101
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: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -209.334073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.334073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.334073 (E_RNA)
where:
Base-Base interactions energy: -96.127
where: short stacking energy: -58.234
Base-Backbone interact. energy: 2.522
local terms energy: -115.729041
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -35.181
flat angles C4'-P-C4' energy: -33.394
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: 2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -841.180722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.180722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.180722 (E_RNA)
where:
Base-Base interactions energy: -603.763
where: short stacking energy: -245.111
Base-Backbone interact. energy: -0.603
local terms energy: -236.814803
where:
bonds (distance) C4'-P energy: -45.736
bonds (distance) P-C4' energy: -47.358
flat angles C4'-P-C4' energy: -43.074
flat angles P-C4'-P energy: -30.056
tors. eta vs tors. theta energy: -70.591
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: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -831.659694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.659694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.659694 (E_RNA)
where:
Base-Base interactions energy: -576.252
where: short stacking energy: -238.501
Base-Backbone interact. energy: -1.299
local terms energy: -254.108735
where:
bonds (distance) C4'-P energy: -50.544
bonds (distance) P-C4' energy: -52.441
flat angles C4'-P-C4' energy: -52.127
flat angles P-C4'-P energy: -31.425
tors. eta vs tors. theta energy: -67.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -824.387908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.387908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.387908 (E_RNA)
where:
Base-Base interactions energy: -585.094
where: short stacking energy: -246.104
Base-Backbone interact. energy: -0.673
local terms energy: -238.620955
where:
bonds (distance) C4'-P energy: -30.256
bonds (distance) P-C4' energy: -43.594
flat angles C4'-P-C4' energy: -56.573
flat angles P-C4'-P energy: -29.802
tors. eta vs tors. theta energy: -78.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -747.805998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.805998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.805998 (E_RNA)
where:
Base-Base interactions energy: -517.376
where: short stacking energy: -224.282
Base-Backbone interact. energy: 0.158
local terms energy: -230.587948
where:
bonds (distance) C4'-P energy: -38.991
bonds (distance) P-C4' energy: -41.030
flat angles C4'-P-C4' energy: -49.350
flat angles P-C4'-P energy: -38.599
tors. eta vs tors. theta energy: -62.618
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: 4
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -706.732205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.732205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.732205 (E_RNA)
where:
Base-Base interactions energy: -480.823
where: short stacking energy: -206.976
Base-Backbone interact. energy: -1.825
local terms energy: -224.084333
where:
bonds (distance) C4'-P energy: -38.351
bonds (distance) P-C4' energy: -42.039
flat angles C4'-P-C4' energy: -51.061
flat angles P-C4'-P energy: -39.171
tors. eta vs tors. theta energy: -53.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -663.987442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.987442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.987442 (E_RNA)
where:
Base-Base interactions energy: -439.331
where: short stacking energy: -195.193
Base-Backbone interact. energy: -0.994
local terms energy: -223.662461
where:
bonds (distance) C4'-P energy: -53.326
bonds (distance) P-C4' energy: -46.341
flat angles C4'-P-C4' energy: -45.032
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: -57.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -633.762092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.762092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.762092 (E_RNA)
where:
Base-Base interactions energy: -429.646
where: short stacking energy: -193.887
Base-Backbone interact. energy: 0.913
local terms energy: -205.029128
where:
bonds (distance) C4'-P energy: -45.721
bonds (distance) P-C4' energy: -38.469
flat angles C4'-P-C4' energy: -39.131
flat angles P-C4'-P energy: -27.960
tors. eta vs tors. theta energy: -53.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -462.796738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.796738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.796738 (E_RNA)
where:
Base-Base interactions energy: -296.115
where: short stacking energy: -136.031
Base-Backbone interact. energy: -0.517
local terms energy: -166.165020
where:
bonds (distance) C4'-P energy: -44.221
bonds (distance) P-C4' energy: -47.326
flat angles C4'-P-C4' energy: -34.770
flat angles P-C4'-P energy: -22.316
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -404.000070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.000070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.000070 (E_RNA)
where:
Base-Base interactions energy: -242.877
where: short stacking energy: -133.300
Base-Backbone interact. energy: -1.009
local terms energy: -160.114528
where:
bonds (distance) C4'-P energy: -35.076
bonds (distance) P-C4' energy: -27.896
flat angles C4'-P-C4' energy: -47.389
flat angles P-C4'-P energy: -23.398
tors. eta vs tors. theta energy: -26.355
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: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -201.791610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.791610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.791610 (E_RNA)
where:
Base-Base interactions energy: -74.873
where: short stacking energy: -67.342
Base-Backbone interact. energy: 2.750
local terms energy: -129.668385
where:
bonds (distance) C4'-P energy: -36.230
bonds (distance) P-C4' energy: -36.480
flat angles C4'-P-C4' energy: -39.565
flat angles P-C4'-P energy: -21.227
tors. eta vs tors. theta energy: 3.833
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: 8
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -851.310454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.310454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.310454 (E_RNA)
where:
Base-Base interactions energy: -602.205
where: short stacking energy: -248.389
Base-Backbone interact. energy: -1.425
local terms energy: -247.679495
where:
bonds (distance) C4'-P energy: -40.515
bonds (distance) P-C4' energy: -49.995
flat angles C4'-P-C4' energy: -46.616
flat angles P-C4'-P energy: -39.500
tors. eta vs tors. theta energy: -71.053
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: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -833.978206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.978206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.978206 (E_RNA)
where:
Base-Base interactions energy: -573.613
where: short stacking energy: -246.896
Base-Backbone interact. energy: 0.289
local terms energy: -260.653699
where:
bonds (distance) C4'-P energy: -45.368
bonds (distance) P-C4' energy: -49.480
flat angles C4'-P-C4' energy: -54.327
flat angles P-C4'-P energy: -35.568
tors. eta vs tors. theta energy: -75.911
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: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -804.299646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.299646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.299646 (E_RNA)
where:
Base-Base interactions energy: -568.721
where: short stacking energy: -238.357
Base-Backbone interact. energy: -1.098
local terms energy: -234.480404
where:
bonds (distance) C4'-P energy: -35.594
bonds (distance) P-C4' energy: -49.938
flat angles C4'-P-C4' energy: -53.281
flat angles P-C4'-P energy: -31.295
tors. eta vs tors. theta energy: -64.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -754.182846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.182846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.182846 (E_RNA)
where:
Base-Base interactions energy: -518.398
where: short stacking energy: -216.624
Base-Backbone interact. energy: -0.983
local terms energy: -234.802107
where:
bonds (distance) C4'-P energy: -36.972
bonds (distance) P-C4' energy: -46.946
flat angles C4'-P-C4' energy: -56.038
flat angles P-C4'-P energy: -29.259
tors. eta vs tors. theta energy: -65.587
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: 5, replica: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -710.925403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.925403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.925403 (E_RNA)
where:
Base-Base interactions energy: -492.056
where: short stacking energy: -217.152
Base-Backbone interact. energy: -1.001
local terms energy: -217.868097
where:
bonds (distance) C4'-P energy: -37.272
bonds (distance) P-C4' energy: -34.365
flat angles C4'-P-C4' energy: -46.906
flat angles P-C4'-P energy: -40.020
tors. eta vs tors. theta energy: -59.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -668.944398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.944398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.944398 (E_RNA)
where:
Base-Base interactions energy: -459.950
where: short stacking energy: -200.868
Base-Backbone interact. energy: -1.463
local terms energy: -207.530900
where:
bonds (distance) C4'-P energy: -42.023
bonds (distance) P-C4' energy: -37.728
flat angles C4'-P-C4' energy: -43.120
flat angles P-C4'-P energy: -29.302
tors. eta vs tors. theta energy: -55.357
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: 7
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -613.665748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.665748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.665748 (E_RNA)
where:
Base-Base interactions energy: -409.717
where: short stacking energy: -173.296
Base-Backbone interact. energy: -2.183
local terms energy: -201.764977
where:
bonds (distance) C4'-P energy: -36.094
bonds (distance) P-C4' energy: -47.332
flat angles C4'-P-C4' energy: -47.786
flat angles P-C4'-P energy: -30.529
tors. eta vs tors. theta energy: -40.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -517.616723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.616723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.616723 (E_RNA)
where:
Base-Base interactions energy: -342.077
where: short stacking energy: -154.403
Base-Backbone interact. energy: -0.989
local terms energy: -174.551220
where:
bonds (distance) C4'-P energy: -42.140
bonds (distance) P-C4' energy: -42.014
flat angles C4'-P-C4' energy: -35.043
flat angles P-C4'-P energy: -25.304
tors. eta vs tors. theta energy: -30.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -388.129854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.129854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.129854 (E_RNA)
where:
Base-Base interactions energy: -242.026
where: short stacking energy: -118.419
Base-Backbone interact. energy: -1.096
local terms energy: -145.007903
where:
bonds (distance) C4'-P energy: -39.910
bonds (distance) P-C4' energy: -33.718
flat angles C4'-P-C4' energy: -41.113
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -232.730949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.730949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.730949 (E_RNA)
where:
Base-Base interactions energy: -88.749
where: short stacking energy: -47.446
Base-Backbone interact. energy: -1.048
local terms energy: -142.933580
where:
bonds (distance) C4'-P energy: -46.321
bonds (distance) P-C4' energy: -44.326
flat angles C4'-P-C4' energy: -31.575
flat angles P-C4'-P energy: -26.236
tors. eta vs tors. theta energy: 5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -842.440148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.440148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.440148 (E_RNA)
where:
Base-Base interactions energy: -580.917
where: short stacking energy: -257.347
Base-Backbone interact. energy: -1.731
local terms energy: -259.792795
where:
bonds (distance) C4'-P energy: -47.086
bonds (distance) P-C4' energy: -48.929
flat angles C4'-P-C4' energy: -54.903
flat angles P-C4'-P energy: -39.645
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: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -830.685349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.685349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.685349 (E_RNA)
where:
Base-Base interactions energy: -581.415
where: short stacking energy: -260.515
Base-Backbone interact. energy: -0.310
local terms energy: -248.959609
where:
bonds (distance) C4'-P energy: -42.043
bonds (distance) P-C4' energy: -46.624
flat angles C4'-P-C4' energy: -50.364
flat angles P-C4'-P energy: -34.358
tors. eta vs tors. theta energy: -75.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -803.358683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.358683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.358683 (E_RNA)
where:
Base-Base interactions energy: -556.588
where: short stacking energy: -232.905
Base-Backbone interact. energy: -1.209
local terms energy: -245.562027
where:
bonds (distance) C4'-P energy: -50.037
bonds (distance) P-C4' energy: -53.750
flat angles C4'-P-C4' energy: -39.479
flat angles P-C4'-P energy: -35.005
tors. eta vs tors. theta energy: -67.291
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: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -761.372125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.372125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.372125 (E_RNA)
where:
Base-Base interactions energy: -527.878
where: short stacking energy: -233.159
Base-Backbone interact. energy: -0.917
local terms energy: -232.577672
where:
bonds (distance) C4'-P energy: -43.298
bonds (distance) P-C4' energy: -45.054
flat angles C4'-P-C4' energy: -48.469
flat angles P-C4'-P energy: -34.362
tors. eta vs tors. theta energy: -61.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -712.615574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.615574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.615574 (E_RNA)
where:
Base-Base interactions energy: -483.027
where: short stacking energy: -203.771
Base-Backbone interact. energy: 0.122
local terms energy: -229.711051
where:
bonds (distance) C4'-P energy: -39.924
bonds (distance) P-C4' energy: -54.190
flat angles C4'-P-C4' energy: -56.073
flat angles P-C4'-P energy: -37.556
tors. eta vs tors. theta energy: -41.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -675.953456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.953456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.953456 (E_RNA)
where:
Base-Base interactions energy: -464.030
where: short stacking energy: -212.423
Base-Backbone interact. energy: 0.854
local terms energy: -212.777098
where:
bonds (distance) C4'-P energy: -33.009
bonds (distance) P-C4' energy: -49.040
flat angles C4'-P-C4' energy: -44.527
flat angles P-C4'-P energy: -31.258
tors. eta vs tors. theta energy: -54.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -636.132060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.132060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.132060 (E_RNA)
where:
Base-Base interactions energy: -424.727
where: short stacking energy: -178.870
Base-Backbone interact. energy: -0.931
local terms energy: -210.473959
where:
bonds (distance) C4'-P energy: -43.471
bonds (distance) P-C4' energy: -42.707
flat angles C4'-P-C4' energy: -42.892
flat angles P-C4'-P energy: -29.170
tors. eta vs tors. theta energy: -52.235
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: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -530.962498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.962498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.962498 (E_RNA)
where:
Base-Base interactions energy: -358.394
where: short stacking energy: -147.661
Base-Backbone interact. energy: -0.153
local terms energy: -172.415188
where:
bonds (distance) C4'-P energy: -37.341
bonds (distance) P-C4' energy: -37.042
flat angles C4'-P-C4' energy: -41.024
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: -34.488
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: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -353.356781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.356781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.356781 (E_RNA)
where:
Base-Base interactions energy: -207.197
where: short stacking energy: -105.269
Base-Backbone interact. energy: -2.909
local terms energy: -143.250552
where:
bonds (distance) C4'-P energy: -35.686
bonds (distance) P-C4' energy: -25.596
flat angles C4'-P-C4' energy: -41.631
flat angles P-C4'-P energy: -25.974
tors. eta vs tors. theta energy: -14.363
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: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -212.629418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.629418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.629418 (E_RNA)
where:
Base-Base interactions energy: -62.699
where: short stacking energy: -57.910
Base-Backbone interact. energy: 2.087
local terms energy: -152.016818
where:
bonds (distance) C4'-P energy: -44.433
bonds (distance) P-C4' energy: -46.961
flat angles C4'-P-C4' energy: -36.881
flat angles P-C4'-P energy: -22.098
tors. eta vs tors. theta energy: -1.644
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)
out arg RESULTS//1/iMet-unmod-9c2a3f5d_01
DONE
DONE
DONE
DONE